#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4r s GLN 5 N 0.00 2.40 0.16 1.61 0.74 -1.26 -4.80 119.66 118.51 1p4r s GLN 5 Ca 0.00 1.09 0.05 0.00 0.05 0.00 0.00 55.36 56.55 1p4r s GLN 5 Cb 0.00 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 32.15 1p4r s GLN 5 CO 0.00 -1.52 0.13 -0.51 -0.55 0.00 0.00 175.29 172.84 1p4r s LEU 6 N -5.83 3.80 -0.19 3.68 1.43 -0.28 -1.39 118.68 119.90 1p4r s LEU 6 Ca 0.60 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1p4r s LEU 6 Cb -0.16 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1p4r s LEU 6 CO 0.56 0.07 0.03 0.00 0.23 0.00 0.00 176.35 177.25 1p4r s ALA 7 N -1.74 0.98 -0.13 4.21 0.00 -0.09 -0.98 121.76 124.02 1p4r s ALA 7 Ca 0.31 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1p4r s ALA 7 Cb -0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1p4r s ALA 7 CO 0.23 -1.15 0.38 -1.17 0.00 0.00 0.00 175.76 174.05 1p4r s LEU 8 N 1.87 4.27 -0.07 0.00 2.96 -0.19 -1.33 118.68 126.19 1p4r s LEU 8 Ca -0.01 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1p4r s LEU 8 Cb -0.17 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.99 1p4r s LEU 8 CO -0.08 0.07 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.45 1p4r s PHE 9 N 0.42 2.19 -0.42 5.38 0.40 0.29 -1.34 117.98 124.91 1p4r s PHE 9 Ca 0.21 -0.75 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1p4r s PHE 9 Cb -0.14 -1.47 0.18 0.00 0.51 0.00 0.00 43.02 42.10 1p4r s PHE 9 CO 0.07 -0.27 0.62 0.45 0.70 0.00 0.00 175.22 176.79 1p4r s SER 10 N 0.13 -1.34 0.11 1.36 0.15 -0.23 -2.90 113.70 110.98 1p4r s SER 10 Ca -0.10 -0.95 0.10 0.00 0.70 0.00 0.00 55.95 55.71 1p4r s SER 10 Cb -0.15 1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 65.98 1p4r s SER 10 CO 0.05 -0.16 -0.26 0.68 1.20 0.00 0.00 173.24 174.75 1p4r s VAL 11 N 1.71 2.29 -0.11 4.45 -7.23 -1.26 -3.54 120.40 116.71 1p4r s VAL 11 Ca 0.18 -1.67 0.12 0.00 -1.81 0.00 0.00 61.98 58.80 1p4r s VAL 11 Cb -0.04 -1.99 -0.24 0.00 0.56 0.00 0.00 36.38 34.67 1p4r s VAL 11 CO -0.07 0.14 0.42 -1.20 -0.31 0.00 0.00 175.10 174.08 1p4r n SER 12 N 1.07 0.77 -4.21 4.85 7.64 -1.25 -4.61 113.62 117.87 1p4r n SER 12 Ca -0.18 0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 1p4r n SER 12 Cb 0.53 0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.82 1p4r n SER 12 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1p4r s ASP 13 N -6.01 5.73 0.00 6.43 2.15 -1.26 -4.95 116.67 118.76 1p4r s ASP 13 Ca -0.09 -2.04 0.19 0.00 0.43 0.00 0.00 52.55 51.04 1p4r s ASP 13 Cb 0.07 -2.01 0.84 0.00 -0.30 0.00 0.00 42.92 41.52 1p4r s ASP 13 CO 0.81 -0.66 1.59 0.29 -0.17 0.00 0.00 175.17 177.03 1p4r n LYS 14 N 4.74 0.08 -1.35 4.34 4.01 -1.26 -4.90 118.16 123.82 1p4r n LYS 14 Ca -0.05 0.16 -0.53 0.00 -0.51 0.00 0.00 58.31 57.37 1p4r n LYS 14 Cb 0.41 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.35 1p4r n LYS 14 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1p4r n THR 15 N -1.43 0.00 -0.59 -0.18 -1.04 -1.26 0.30 114.28 110.08 1p4r n THR 15 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1p4r n THR 15 Cb 0.20 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1p4r n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p4r n GLY 16 N 3.39 1.68 0.41 3.41 0.00 -1.26 -4.81 105.19 108.01 1p4r n GLY 16 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 1p4r n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1p4r h LEU 17 N 0.00 -1.46 -0.52 0.99 5.85 -0.50 -1.86 115.31 117.81 1p4r h LEU 17 Ca 0.00 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1p4r h LEU 17 Cb 0.00 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1p4r h LEU 17 CO 0.00 -0.45 0.01 0.58 -0.34 0.00 0.00 178.44 178.24 1p4r h VAL 18 N -0.56 0.60 -0.16 1.05 2.07 -1.92 0.29 116.25 117.61 1p4r h VAL 18 Ca 0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1p4r h VAL 18 Cb 0.62 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1p4r h VAL 18 CO -0.33 0.02 0.01 -0.33 0.02 0.00 0.00 177.57 176.96 1p4r h GLU 19 N 0.12 0.07 0.00 1.57 3.07 -1.91 -1.65 114.58 115.85 1p4r h GLU 19 Ca 0.26 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1p4r h GLU 19 Cb 0.40 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1p4r h GLU 19 CO -0.43 0.04 -0.20 0.35 -1.40 0.00 0.00 179.01 177.37 1p4r h PHE 20 N 0.07 0.00 0.46 4.33 3.57 -0.52 -2.98 116.94 121.87 1p4r h PHE 20 Ca 0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1p4r h PHE 20 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1p4r h PHE 20 CO -0.15 0.20 -0.22 0.00 -2.23 0.00 0.00 178.31 175.91 1p4r h ALA 21 N 1.80 -0.87 -0.84 2.41 0.00 0.46 -2.85 119.26 119.37 1p4r h ALA 21 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1p4r h ALA 21 Cb 0.40 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 1p4r h ALA 21 CO 0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 179.25 178.27 1p4r h ARG 22 N -0.81 0.01 -0.78 0.00 3.08 -1.40 0.34 114.38 114.81 1p4r h ARG 22 Ca -0.06 -0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.16 1p4r h ARG 22 Cb 0.47 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.41 1p4r h ARG 22 CO 0.10 0.01 0.23 -0.91 -1.07 0.00 0.00 179.97 178.33 1p4r h ASN 23 N 0.01 0.08 0.87 7.04 -0.26 -1.52 0.39 115.58 122.18 1p4r h ASN 23 Ca 0.41 0.15 -0.15 0.00 -0.56 0.00 0.00 56.30 56.16 1p4r h ASN 23 Cb 0.65 0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.08 1p4r h ASN 23 CO -0.85 -0.04 -0.70 -0.07 -1.06 0.00 0.00 177.43 174.71 1p4r h LEU 24 N 0.30 0.00 -0.17 1.61 3.38 -0.19 -2.07 115.31 118.16 1p4r h LEU 24 Ca 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 1p4r h LEU 24 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1p4r h LEU 24 CO -0.53 0.70 0.01 0.74 0.09 0.00 0.00 178.44 179.46 1p4r h THR 25 N 0.00 1.24 -0.07 0.22 2.02 0.12 -0.65 112.91 115.79 1p4r h THR 25 Ca -0.01 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 1p4r h THR 25 Cb 1.33 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1p4r h THR 25 CO 0.09 0.24 -0.18 0.00 0.37 0.00 0.00 175.52 176.04 1p4r h ALA 26 N 0.79 1.57 -0.12 6.16 0.00 -0.29 -1.36 119.26 126.01 1p4r h ALA 26 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1p4r h ALA 26 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1p4r h ALA 26 CO 0.01 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1p4r n LEU 27 N -4.27 1.71 -2.60 0.00 4.32 -0.79 -4.88 117.00 110.49 1p4r n LEU 27 Ca -0.02 -0.86 -0.11 0.00 -0.02 0.00 0.00 56.01 55.01 1p4r n LEU 27 Cb 0.27 -0.45 0.06 0.00 -1.62 0.00 0.00 43.42 41.68 1p4r n LEU 27 CO 0.37 0.30 0.06 0.61 -1.22 0.00 0.00 177.39 177.51 1p4r n GLY 28 N 0.25 -0.17 3.09 -0.72 0.00 -0.51 -5.02 105.19 102.10 1p4r n GLY 28 Ca 0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1p4r n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4r s LEU 29 N -4.78 1.99 0.16 0.99 1.43 -0.27 -4.43 118.68 113.77 1p4r s LEU 29 Ca 0.08 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 1p4r s LEU 29 Cb -0.01 -0.71 -0.08 0.00 0.03 0.00 0.00 46.19 45.43 1p4r s LEU 29 CO 0.48 0.16 0.80 0.20 0.23 0.00 0.00 176.35 178.21 1p4r s ASN 30 N -0.24 7.40 -0.47 2.29 0.01 -0.48 -4.16 114.94 119.28 1p4r s ASN 30 Ca 0.04 1.66 -0.18 0.00 -0.71 0.00 0.00 52.86 53.66 1p4r s ASN 30 Cb -0.06 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.14 1p4r s ASN 30 CO -0.00 0.17 0.54 -0.76 -1.51 0.00 0.00 177.10 175.54 1p4r s LEU 31 N -0.99 5.01 -0.16 0.60 1.02 -1.26 -0.91 118.68 122.00 1p4r s LEU 31 Ca 0.37 -0.87 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1p4r s LEU 31 Cb -0.23 -2.41 -0.02 0.00 0.02 0.00 0.00 46.19 43.55 1p4r s LEU 31 CO 0.27 -0.76 -0.09 -0.69 0.02 0.00 0.00 176.35 175.10 1p4r s VAL 32 N 2.35 3.31 0.20 -1.59 1.01 -0.44 0.67 120.40 125.91 1p4r s VAL 32 Ca 0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1p4r s VAL 32 Cb -0.19 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1p4r s VAL 32 CO 0.12 0.49 0.34 0.00 0.00 0.00 0.00 175.10 176.05 1p4r s ALA 33 N 0.63 0.07 0.59 5.51 0.00 -0.39 -0.55 121.76 127.62 1p4r s ALA 33 Ca -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1p4r s ALA 33 Cb -0.15 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1p4r s ALA 33 CO 0.03 -0.72 0.88 -1.54 0.00 0.00 0.00 175.76 174.40 1p4r s SER 34 N -3.02 5.44 0.00 0.00 1.04 -1.14 -1.09 113.70 114.94 1p4r s SER 34 Ca 0.22 0.53 -0.00 0.00 0.48 0.00 0.00 55.95 57.18 1p4r s SER 34 Cb 0.02 -1.48 -0.00 0.00 0.10 0.00 0.00 66.02 64.66 1p4r s SER 34 CO 0.05 -1.12 0.17 0.61 0.98 0.00 0.00 173.24 173.93 1p4r n GLY 35 N -2.55 -0.52 0.21 7.32 0.00 -1.26 -0.51 105.19 107.88 1p4r n GLY 35 Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1p4r n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1p4r h GLY 36 N 0.00 0.70 1.08 -0.02 0.00 -1.95 -2.26 103.07 100.62 1p4r h GLY 36 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.34 1p4r h GLY 36 CO -0.01 0.79 -0.10 -0.84 0.00 0.00 0.00 176.54 176.38 1p4r h THR 37 N 0.47 1.27 0.36 4.70 2.02 -1.68 -1.81 112.91 118.24 1p4r h THR 37 Ca -0.01 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1p4r h THR 37 Cb 1.21 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1p4r h THR 37 CO 0.12 0.44 -0.18 0.00 0.37 0.00 0.00 175.52 176.28 1p4r h ALA 38 N 0.92 -0.49 -1.00 6.16 0.00 -0.83 -0.62 119.26 123.40 1p4r h ALA 38 Ca 0.14 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1p4r h ALA 38 Cb 0.67 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1p4r h ALA 38 CO 0.05 -0.72 0.62 -0.22 0.00 0.00 0.00 179.25 178.98 1p4r h LYS 39 N -0.61 0.59 -0.01 0.00 1.63 -1.33 0.17 116.57 117.01 1p4r h LYS 39 Ca -0.05 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.53 1p4r h LYS 39 Cb 0.45 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1p4r h LYS 39 CO 0.08 0.39 -0.82 0.00 -3.45 0.00 0.00 179.45 175.65 1p4r h ALA 40 N 1.66 0.61 0.00 5.00 0.00 -0.99 -1.71 119.26 123.82 1p4r h ALA 40 Ca 0.59 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1p4r h ALA 40 Cb 1.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1p4r h ALA 40 CO -0.37 0.90 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 1p4r h LEU 41 N 0.09 0.00 0.13 0.00 3.38 0.85 -3.06 115.31 116.70 1p4r h LEU 41 Ca -0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.59 1p4r h LEU 41 Cb 1.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1p4r h LEU 41 CO 0.12 0.03 -1.86 0.03 0.09 0.00 0.00 178.44 176.85 1p4r h ARG 42 N 0.00 0.27 0.00 1.13 3.08 -0.93 -1.12 114.38 116.81 1p4r h ARG 42 Ca -0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1p4r h ARG 42 Cb 0.69 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1p4r h ARG 42 CO 0.00 1.15 0.00 -0.25 -1.07 0.00 0.00 179.97 179.80 1p4r n ASP 43 N -3.46 0.00 -0.54 7.04 9.92 -0.66 0.11 116.55 128.97 1p4r n ASP 43 Ca -0.27 0.24 0.06 0.00 -0.53 0.00 0.00 54.79 54.30 1p4r n ASP 43 Cb 1.05 -0.34 0.20 0.00 -0.64 0.00 0.00 41.12 41.40 1p4r n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p4r n ALA 44 N -1.34 3.47 -3.09 2.24 0.00 -1.16 -5.03 120.51 115.61 1p4r n ALA 44 Ca 0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 53.44 50.24 1p4r n ALA 44 Cb 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1p4r n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p4r n GLY 45 N -1.14 -1.10 3.53 0.00 0.00 0.12 -5.01 105.19 101.58 1p4r n GLY 45 Ca 0.18 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 1p4r n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4r s LEU 46 N -1.29 -0.51 -0.78 0.99 1.43 -0.42 -4.94 118.68 113.15 1p4r s LEU 46 Ca 0.03 1.29 -0.26 0.00 -1.03 0.00 0.00 54.13 54.17 1p4r s LEU 46 Cb -0.00 2.13 0.01 0.00 0.03 0.00 0.00 46.19 48.36 1p4r s LEU 46 CO 0.27 -0.22 1.54 0.00 0.23 0.00 0.00 176.35 178.18 1p4r s ALA 47 N 0.79 2.46 -0.08 4.21 0.00 -1.26 -4.29 121.76 123.59 1p4r s ALA 47 Ca -0.04 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1p4r s ALA 47 Cb -0.05 -4.36 0.01 0.00 0.00 0.00 0.00 23.12 18.71 1p4r s ALA 47 CO -0.06 -3.70 -0.18 0.54 0.00 0.00 0.00 175.76 172.36 1p4r s VAL 48 N 6.98 1.59 -0.06 0.00 0.11 -1.26 -4.05 120.40 123.71 1p4r s VAL 48 Ca 0.50 -0.75 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 1p4r s VAL 48 Cb -0.07 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 1p4r s VAL 48 CO 0.10 0.46 0.34 -0.13 -3.33 0.00 0.00 175.10 172.53 1p4r s ARG 49 N 0.44 3.93 0.56 1.54 0.52 0.21 -4.93 118.95 121.22 1p4r s ARG 49 Ca -0.15 0.25 -0.20 0.00 -0.52 0.00 0.00 55.73 55.11 1p4r s ARG 49 Cb -0.16 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 1p4r s ARG 49 CO 0.06 0.58 1.19 -0.51 0.02 0.00 0.00 175.30 176.64 1p4r s ASP 50 N -0.63 5.49 0.24 0.23 1.01 -1.26 -1.26 116.67 120.49 1p4r s ASP 50 Ca 0.21 2.34 0.00 0.00 0.71 0.00 0.00 52.55 55.81 1p4r s ASP 50 Cb -0.15 -2.60 0.27 0.00 1.01 0.00 0.00 42.92 41.46 1p4r s ASP 50 CO 0.09 -1.38 1.63 0.58 0.21 0.00 0.00 175.17 176.30 1p4r h VAL 51 N 1.16 1.30 -0.83 -1.27 2.07 -1.47 -2.44 116.25 114.77 1p4r h VAL 51 Ca -0.50 -1.51 0.09 0.00 0.82 0.00 0.00 66.70 65.59 1p4r h VAL 51 Cb 1.28 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 1p4r h VAL 51 CO 0.56 0.48 0.49 0.77 0.02 0.00 0.00 177.57 179.89 1p4r h SER 52 N 0.43 0.72 0.26 0.57 4.64 -1.84 0.63 113.55 118.96 1p4r h SER 52 Ca 0.04 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1p4r h SER 52 Cb 0.85 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1p4r h SER 52 CO 0.07 0.43 0.00 -1.84 -0.87 0.00 0.00 176.83 174.62 1p4r n GLU 53 N -4.71 0.59 -0.03 4.77 0.28 -0.94 -0.42 120.64 120.18 1p4r n GLU 53 Ca 0.13 0.02 0.06 0.00 -0.16 0.00 0.00 57.16 57.22 1p4r n GLU 53 Cb 0.25 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.46 1p4r n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1p4r n LEU 54 N -1.15 0.00 -0.09 -1.84 7.94 0.19 -4.65 117.00 117.39 1p4r n LEU 54 Ca 0.16 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.91 1p4r n LEU 54 Cb 0.15 0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 1p4r n LEU 54 CO 0.18 0.10 -1.11 0.35 -1.11 0.00 0.00 177.39 175.80 1p4r n THR 55 N -2.33 1.03 0.00 1.96 -2.24 0.63 -4.85 114.28 108.49 1p4r n THR 55 Ca -0.10 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1p4r n THR 55 Cb 0.67 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1p4r n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p4r n GLY 56 N 2.42 0.81 3.17 3.38 0.00 0.44 -4.96 105.19 110.45 1p4r n GLY 56 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1p4r n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p4r s PHE 57 N -2.00 2.80 0.47 1.61 0.40 -1.23 -5.02 117.98 115.01 1p4r s PHE 57 Ca 0.00 -1.43 -0.23 0.00 -0.60 0.00 0.00 56.93 54.67 1p4r s PHE 57 Cb 0.00 -1.94 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 1p4r s PHE 57 CO 0.00 -0.71 1.25 -2.14 0.70 0.00 0.00 175.22 174.32 1p4r s PRO 58 N 1.24 3.63 0.15 0.24 0.02 -1.26 -4.43 135.00 134.60 1p4r s PRO 58 Ca 0.03 1.99 -0.34 0.00 0.02 0.00 0.00 61.00 62.70 1p4r s PRO 58 Cb -0.14 -2.44 -0.14 0.00 0.02 0.00 0.00 34.50 31.80 1p4r s PRO 58 CO -0.09 -0.71 1.56 0.39 -0.33 0.00 0.00 177.00 177.82 1p4r n GLU 59 N -0.50 2.06 -3.78 5.54 1.02 -1.26 -4.94 120.64 118.79 1p4r n GLU 59 Ca 0.07 0.74 -0.20 0.00 -0.02 0.00 0.00 57.16 57.76 1p4r n GLU 59 Cb 0.46 -2.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.33 1p4r n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p4r n MET 60 N 3.38 0.87 -4.23 3.49 0.00 0.09 -4.83 117.12 115.89 1p4r n MET 60 Ca 0.17 -2.52 -0.36 0.00 0.00 0.00 0.00 57.70 55.00 1p4r n MET 60 Cb 0.28 1.07 -0.03 0.00 0.00 0.00 0.00 33.22 34.54 1p4r n MET 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1p4r n LEU 61 N 0.00 -1.66 -2.77 3.17 4.77 -1.26 -2.02 117.00 117.23 1p4r n LEU 61 Ca -0.09 -1.04 -0.14 0.00 -0.03 0.00 0.00 56.01 54.72 1p4r n LEU 61 Cb 0.44 -2.04 0.06 0.00 -2.33 0.00 0.00 43.42 39.55 1p4r n LEU 61 CO 0.24 0.30 0.11 0.61 -1.33 0.00 0.00 177.39 177.31 1p4r n GLY 62 N -1.47 -0.14 2.29 -0.72 0.00 -1.26 -2.93 105.19 100.95 1p4r n GLY 62 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1p4r n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p4r n GLY 63 N -1.25 0.73 0.09 -0.02 0.00 -0.85 -4.91 105.19 98.99 1p4r n GLY 63 Ca -0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1p4r n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1p4r h ARG 64 N 0.24 0.00 -4.04 1.61 3.08 -1.31 -3.43 114.38 110.53 1p4r h ARG 64 Ca -0.10 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.39 1p4r h ARG 64 Cb 0.46 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.13 1p4r h ARG 64 CO 0.15 0.51 -0.78 0.08 -1.07 0.00 0.00 179.97 178.86 1p4r s VAL 65 N -2.82 1.05 0.00 2.04 1.01 -1.14 -4.73 120.40 115.82 1p4r s VAL 65 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1p4r s VAL 65 Cb 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1p4r s VAL 65 CO 0.80 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 176.17 1p4r n LYS 66 N 4.87 0.04 0.00 2.72 5.02 -1.26 -0.73 118.16 128.81 1p4r n LYS 66 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1p4r n LYS 66 Cb 0.47 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 1p4r n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1p4r n THR 67 N -1.63 0.63 -2.46 -0.18 -2.24 -1.26 -4.76 114.28 102.38 1p4r n THR 67 Ca 0.00 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.65 1p4r n THR 67 Cb 0.09 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1p4r n THR 67 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p4r n LEU 68 N -0.32 5.55 -3.71 3.22 4.77 -1.26 -4.70 117.00 120.55 1p4r n LEU 68 Ca 0.00 -4.15 -0.14 0.00 -0.03 0.00 0.00 56.01 51.70 1p4r n LEU 68 Cb 0.26 -1.68 -0.09 0.00 -2.33 0.00 0.00 43.42 39.58 1p4r n LEU 68 CO 0.00 0.58 0.12 -2.28 -1.33 0.00 0.00 177.39 174.48 1p4r s HIS 69 N 3.10 -0.41 0.47 -1.77 2.46 -1.26 -5.06 115.29 112.83 1p4r s HIS 69 Ca 0.49 0.91 0.21 0.00 0.47 0.00 0.00 55.06 57.13 1p4r s HIS 69 Cb 0.05 0.17 1.21 0.00 -0.13 0.00 0.00 32.58 33.88 1p4r s HIS 69 CO 0.02 -0.32 1.93 -1.35 -2.47 0.00 0.00 174.74 172.56 1p4r h PRO 70 N 4.75 0.23 -0.58 2.88 0.11 -1.97 -0.65 132.00 136.77 1p4r h PRO 70 Ca -0.28 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.91 1p4r h PRO 70 Cb 1.17 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1p4r h PRO 70 CO 0.30 0.15 0.19 0.00 -0.21 0.00 0.00 178.00 178.43 1p4r h ALA 71 N 1.66 0.72 -0.05 -0.75 0.00 -1.93 0.74 119.26 119.65 1p4r h ALA 71 Ca 0.35 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1p4r h ALA 71 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1p4r h ALA 71 CO -0.08 -0.22 -0.15 0.28 0.00 0.00 0.00 179.25 179.08 1p4r h VAL 72 N 0.36 1.44 0.00 0.00 2.07 -1.43 -2.88 116.25 115.81 1p4r h VAL 72 Ca 0.29 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 1p4r h VAL 72 Cb 0.36 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1p4r h VAL 72 CO -0.31 0.43 -0.26 0.45 0.02 0.00 0.00 177.57 177.90 1p4r h HIS 73 N -0.34 0.00 0.01 1.57 3.86 -1.06 -2.69 115.15 116.51 1p4r h HIS 73 Ca -0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.94 1p4r h HIS 73 Cb 0.77 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.27 1p4r h HIS 73 CO 0.13 0.26 -1.03 0.00 0.86 0.00 0.00 177.93 178.14 1p4r h ALA 74 N 1.74 0.11 -0.19 2.45 0.00 0.36 0.15 119.26 123.87 1p4r h ALA 74 Ca -0.00 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1p4r h ALA 74 Cb 1.17 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1p4r h ALA 74 CO 0.03 0.66 0.13 0.78 0.00 0.00 0.00 179.25 180.86 1p4r h GLY 75 N 0.34 0.10 0.12 0.00 0.00 -1.45 -1.57 103.07 100.61 1p4r h GLY 75 Ca -0.13 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 1p4r h GLY 75 CO 0.20 0.03 -0.93 -2.22 0.00 0.00 0.00 176.54 173.62 1p4r h ILE 76 N 0.08 1.19 -0.10 2.60 2.04 -1.32 -0.16 117.51 121.84 1p4r h ILE 76 Ca 0.09 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1p4r h ILE 76 Cb 0.24 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1p4r h ILE 76 CO -0.01 0.48 0.00 0.18 0.00 0.00 0.00 178.15 178.80 1p4r n LEU 77 N -4.37 1.01 -4.71 1.44 4.77 0.03 -4.82 117.00 110.34 1p4r n LEU 77 Ca -0.24 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 1p4r n LEU 77 Cb 0.67 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1p4r n LEU 77 CO 0.28 0.21 0.94 0.00 -1.33 0.00 0.00 177.39 177.49 1p4r s ALA 78 N -1.88 3.45 0.16 -1.18 0.00 -0.60 -5.01 121.76 116.71 1p4r s ALA 78 Ca 0.30 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1p4r s ALA 78 Cb 0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1p4r s ALA 78 CO 0.24 -0.53 0.24 1.03 0.00 0.00 0.00 175.76 176.74 1p4r s ARG 79 N 1.27 3.25 -1.32 0.00 0.52 -1.26 -5.00 118.95 116.41 1p4r s ARG 79 Ca 0.60 -0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 54.92 1p4r s ARG 79 Cb -0.30 -2.85 0.06 0.00 0.52 0.00 0.00 34.95 32.38 1p4r s ARG 79 CO 0.29 0.50 1.83 -1.71 0.02 0.00 0.00 175.30 176.22 1p4r n ASN 80 N -0.56 4.67 -4.10 0.23 2.85 -1.26 -4.34 115.26 112.74 1p4r n ASN 80 Ca -0.08 -2.90 -0.08 0.00 -0.11 0.00 0.00 54.58 51.42 1p4r n ASN 80 Cb 0.55 -1.73 -0.10 0.00 1.24 0.00 0.00 39.78 39.74 1p4r n ASN 80 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1p4r s ILE 81 N 4.34 0.34 0.00 -1.44 -4.36 -1.26 -5.03 121.20 113.79 1p4r s ILE 81 Ca 0.53 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1p4r s ILE 81 Cb 0.06 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.29 1p4r s ILE 81 CO 0.05 -0.93 0.56 -2.65 0.24 0.00 0.00 174.94 172.21 1p4r n PRO 82 N 0.18 0.00 -0.24 0.37 -0.02 -1.26 -1.04 135.00 132.99 1p4r n PRO 82 Ca -0.14 0.56 -0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1p4r n PRO 82 Cb 0.60 -1.01 0.04 0.00 -0.02 0.00 0.00 33.50 33.12 1p4r n PRO 82 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1p4r h GLU 83 N 0.00 -0.07 -0.75 -0.52 9.09 -1.98 -0.04 114.58 120.30 1p4r h GLU 83 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.43 1p4r h GLU 83 Cb 0.00 0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.08 1p4r h GLU 83 CO 0.00 -0.05 0.49 -0.44 0.05 0.00 0.00 179.01 179.06 1p4r h ASP 84 N -0.08 0.84 -0.21 3.06 5.19 -1.77 0.03 116.42 123.48 1p4r h ASP 84 Ca 0.30 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1p4r h ASP 84 Cb 0.55 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1p4r h ASP 84 CO -0.75 0.60 0.01 0.78 -3.12 0.00 0.00 179.24 176.77 1p4r h ASN 85 N 1.00 0.36 -0.52 6.45 2.35 -0.10 0.85 115.58 125.97 1p4r h ASN 85 Ca 0.28 -0.29 0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1p4r h ASN 85 Cb -0.09 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.10 1p4r h ASN 85 CO -0.07 0.57 0.02 0.00 -1.65 0.00 0.00 177.43 176.30 1p4r h ALA 86 N 0.81 0.51 -0.29 -0.83 0.00 -0.77 -0.99 119.26 117.71 1p4r h ALA 86 Ca 0.06 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p4r h ALA 86 Cb 0.37 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1p4r h ALA 86 CO 0.01 -0.37 0.16 -0.44 0.00 0.00 0.00 179.25 178.61 1p4r h ASP 87 N 0.14 0.35 0.27 0.00 5.19 -0.59 -1.66 116.42 120.13 1p4r h ASP 87 Ca 0.26 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 1p4r h ASP 87 Cb 0.39 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1p4r h ASP 87 CO -0.41 0.33 -0.03 0.24 -3.12 0.00 0.00 179.24 176.24 1p4r h MET 88 N 0.35 0.00 0.18 3.56 2.86 -0.18 -2.09 114.93 119.62 1p4r h MET 88 Ca 0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1p4r h MET 88 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1p4r h MET 88 CO -0.02 0.03 -0.09 0.00 1.06 0.00 0.00 176.91 177.90 1p4r h ALA 89 N 1.97 -0.24 -0.65 6.32 0.00 -0.31 0.26 119.26 126.61 1p4r h ALA 89 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1p4r h ALA 89 Cb 0.17 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1p4r h ALA 89 CO 0.00 -0.28 0.27 0.07 0.00 0.00 0.00 179.25 179.31 1p4r h ARG 90 N -0.96 0.45 0.00 0.00 0.11 -1.04 0.42 114.38 113.35 1p4r h ARG 90 Ca -0.02 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 1p4r h ARG 90 Cb 0.45 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1p4r h ARG 90 CO 0.04 0.30 -0.01 -0.07 0.10 0.00 0.00 179.97 180.33 1p4r h LEU 91 N 0.46 0.00 -1.47 0.08 -0.00 -1.49 -3.47 115.31 109.42 1p4r h LEU 91 Ca 0.33 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.89 1p4r h LEU 91 Cb 0.40 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 41.21 1p4r h LEU 91 CO -0.31 0.01 -0.68 -0.67 -0.00 0.00 0.00 178.44 176.79 1p4r n ASP 92 N -3.10 -3.07 -4.83 -0.43 2.03 0.15 -5.00 116.55 102.30 1p4r n ASP 92 Ca 0.02 -0.54 -0.36 0.00 0.52 0.00 0.00 54.79 54.42 1p4r n ASP 92 Cb 0.40 -4.68 -0.07 0.00 -0.72 0.00 0.00 41.12 36.05 1p4r n ASP 92 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1p4r s PHE 93 N -3.32 3.52 0.48 -0.67 0.08 0.67 -5.01 117.98 113.74 1p4r s PHE 93 Ca 0.14 0.45 -0.11 0.00 0.12 0.00 0.00 56.93 57.53 1p4r s PHE 93 Cb -0.06 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.35 1p4r s PHE 93 CO 0.66 0.61 0.87 0.54 -0.10 0.00 0.00 175.22 177.81 1p4r s ASN 94 N -0.71 6.45 0.29 1.36 2.20 -1.26 -4.76 114.94 118.51 1p4r s ASN 94 Ca 0.13 1.26 -0.18 0.00 -0.94 0.00 0.00 52.86 53.13 1p4r s ASN 94 Cb -0.12 -2.38 -0.09 0.00 -2.00 0.00 0.00 41.25 36.66 1p4r s ASN 94 CO 0.03 -0.56 0.76 -0.76 -2.94 0.00 0.00 177.10 173.62 1p4r s LEU 95 N -4.29 4.19 -0.26 3.54 1.43 -1.26 -4.45 118.68 117.59 1p4r s LEU 95 Ca 0.53 1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 54.97 1p4r s LEU 95 Cb -0.10 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 1p4r s LEU 95 CO 0.38 -0.10 0.05 -0.63 0.23 0.00 0.00 176.35 176.27 1p4r s ILE 96 N -1.77 4.00 -0.10 -0.59 1.01 -0.07 -1.12 121.20 122.55 1p4r s ILE 96 Ca 0.50 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1p4r s ILE 96 Cb -0.13 -2.92 -0.26 0.00 0.01 0.00 0.00 42.46 39.16 1p4r s ILE 96 CO 0.19 0.28 0.42 -1.14 0.00 0.00 0.00 174.94 174.69 1p4r n ARG 97 N 4.88 0.74 -4.81 2.79 0.63 -0.15 -4.58 116.66 116.16 1p4r n ARG 97 Ca -0.16 0.27 -0.25 0.00 -0.92 0.00 0.00 57.85 56.79 1p4r n ARG 97 Cb 0.50 -1.73 -0.16 0.00 0.45 0.00 0.00 32.46 31.53 1p4r n ARG 97 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1p4r s VAL 98 N -2.57 1.36 -0.24 5.15 1.01 -1.19 -0.33 120.40 123.59 1p4r s VAL 98 Ca -0.19 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1p4r s VAL 98 Cb 0.07 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.37 1p4r s VAL 98 CO 0.78 0.39 -0.03 -0.69 0.00 0.00 0.00 175.10 175.55 1p4r s VAL 99 N -0.25 1.44 -0.28 2.92 1.01 0.14 -1.02 120.40 124.36 1p4r s VAL 99 Ca 0.03 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1p4r s VAL 99 Cb -0.08 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1p4r s VAL 99 CO 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 175.10 175.05 1p4r s ALA 100 N 1.42 3.26 -0.27 5.51 0.00 -0.45 -0.57 121.76 130.66 1p4r s ALA 100 Ca -0.04 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.48 1p4r s ALA 100 Cb -0.19 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 20.76 1p4r s ALA 100 CO -0.08 -0.66 0.72 0.00 0.00 0.00 0.00 175.76 175.75 1p4r s ASN 102 N 0.85 2.81 0.45 0.00 4.22 -1.23 -3.69 114.94 118.35 1p4r s ASN 102 Ca -0.04 -1.11 0.07 0.00 -2.14 0.00 0.00 52.86 49.65 1p4r s ASN 102 Cb -0.05 -0.18 0.02 0.00 1.28 0.00 0.00 41.25 42.32 1p4r s ASN 102 CO -0.07 -0.23 0.61 -0.76 -2.04 0.00 0.00 177.10 174.61 1p4r s LEU 103 N -3.41 3.57 0.25 3.54 1.43 -1.26 -3.82 118.68 118.99 1p4r s LEU 103 Ca 0.27 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.64 1p4r s LEU 103 Cb 0.01 -2.58 -0.13 0.00 0.03 0.00 0.00 46.19 43.51 1p4r s LEU 103 CO 0.10 -0.85 1.39 -1.22 0.23 0.00 0.00 176.35 176.00 1p4r n TYR 104 N -1.94 2.17 -0.21 0.29 4.01 -1.26 -4.64 117.16 115.57 1p4r n TYR 104 Ca 0.09 0.45 -0.12 0.00 -0.16 0.00 0.00 57.90 58.15 1p4r n TYR 104 Cb 0.59 -2.45 -0.03 0.00 -0.31 0.00 0.00 39.34 37.14 1p4r n TYR 104 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1p4r n PRO 105 N 1.86 0.27 0.32 -0.72 -0.04 -1.26 -4.67 135.00 130.76 1p4r n PRO 105 Ca 0.11 -0.74 -0.17 0.00 -0.04 0.00 0.00 63.50 62.66 1p4r n PRO 105 Cb 0.32 -2.17 -0.09 0.00 -0.04 0.00 0.00 33.50 31.52 1p4r n PRO 105 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1p4r h PHE 106 N 8.20 -0.72 -0.01 0.54 3.57 -1.86 -1.86 116.94 124.80 1p4r h PHE 106 Ca 0.12 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1p4r h PHE 106 Cb 0.17 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1p4r h PHE 106 CO 1.81 -0.42 -0.23 0.28 -2.23 0.00 0.00 178.31 177.53 1p4r h VAL 107 N -0.86 0.47 -0.37 1.41 2.07 -1.93 0.18 116.25 117.21 1p4r h VAL 107 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1p4r h VAL 107 Cb 0.63 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1p4r h VAL 107 CO 0.13 0.00 0.25 0.11 0.02 0.00 0.00 177.57 178.08 1p4r h LYS 108 N -0.35 0.29 -0.00 1.57 1.79 -1.96 -2.62 116.57 115.28 1p4r h LYS 108 Ca 0.06 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1p4r h LYS 108 Cb 0.44 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1p4r h LYS 108 CO -0.21 0.19 -0.00 1.15 -1.08 0.00 0.00 179.45 179.49 1p4r h THR 109 N 0.30 1.39 0.00 -0.16 2.02 -0.12 -2.35 112.91 113.99 1p4r h THR 109 Ca 0.16 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1p4r h THR 109 Cb 0.27 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1p4r h THR 109 CO -0.03 0.30 0.00 1.33 0.37 0.00 0.00 175.52 177.49 1p4r n VAL 110 N -4.85 1.02 0.63 3.16 0.24 0.43 -1.50 118.33 117.46 1p4r n VAL 110 Ca -0.08 0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.67 1p4r n VAL 110 Cb 0.25 -1.24 0.03 0.00 -1.47 0.00 0.00 33.84 31.42 1p4r n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1p4r n ALA 111 N -1.68 3.49 -1.52 2.33 0.00 -1.02 -4.94 120.51 117.19 1p4r n ALA 111 Ca 0.02 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.70 1p4r n ALA 111 Cb 0.16 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.70 1p4r n ALA 111 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p4r s SER 112 N -3.80 4.86 0.12 0.00 0.01 -0.56 -4.94 113.70 109.39 1p4r s SER 112 Ca 0.05 2.20 -0.32 0.00 1.31 0.00 0.00 55.95 59.19 1p4r s SER 112 Cb 0.15 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.69 1p4r s SER 112 CO 0.80 -1.80 1.82 -2.65 0.41 0.00 0.00 173.24 171.81 1p4r n PRO 113 N -2.28 2.72 -1.36 12.44 -0.02 -1.26 -3.13 135.00 142.12 1p4r n PRO 113 Ca 0.12 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.46 1p4r n PRO 113 Cb 0.51 -2.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 1p4r n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p4r n GLY 114 N 4.18 1.29 3.69 -1.23 0.00 -1.26 -4.94 105.19 106.91 1p4r n GLY 114 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1p4r n GLY 114 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1p4r n VAL 115 N -1.98 2.99 -3.55 1.61 3.14 -1.18 -5.00 118.33 114.36 1p4r n VAL 115 Ca -0.14 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.55 1p4r n VAL 115 Cb 0.50 -1.48 -0.01 0.00 -1.06 0.00 0.00 33.84 31.80 1p4r n VAL 115 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1p4r s THR 116 N -1.27 4.26 0.20 1.55 -4.23 -1.26 -4.96 115.64 109.93 1p4r s THR 116 Ca 0.66 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 1p4r s THR 116 Cb -0.48 -3.48 0.14 0.00 1.34 0.00 0.00 72.50 70.02 1p4r s THR 116 CO 0.54 -0.18 1.82 0.58 -0.54 0.00 0.00 174.62 176.83 1p4r h VAL 117 N 0.94 1.23 -0.34 2.29 2.07 -1.98 0.32 116.25 120.77 1p4r h VAL 117 Ca -0.47 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1p4r h VAL 117 Cb 1.25 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1p4r h VAL 117 CO 0.54 0.26 0.20 -0.33 0.02 0.00 0.00 177.57 178.26 1p4r h GLU 118 N 1.03 0.40 -0.26 1.57 3.07 -1.99 0.13 114.58 118.53 1p4r h GLU 118 Ca 0.26 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1p4r h GLU 118 Cb 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1p4r h GLU 118 CO -0.04 0.27 -0.05 0.93 -1.40 0.00 0.00 179.01 178.72 1p4r h GLU 119 N 0.41 0.40 0.09 2.33 5.08 -1.75 -0.54 114.58 120.61 1p4r h GLU 119 Ca 0.13 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1p4r h GLU 119 Cb -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p4r h GLU 119 CO -0.06 0.47 -0.05 0.00 -1.00 0.00 0.00 179.01 178.38 1p4r h ALA 120 N 1.57 -0.13 -0.64 3.43 0.00 0.34 -3.07 119.26 120.75 1p4r h ALA 120 Ca 0.08 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1p4r h ALA 120 Cb 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1p4r h ALA 120 CO 0.01 -0.40 0.25 0.28 0.00 0.00 0.00 179.25 179.40 1p4r h VAL 121 N -0.47 0.77 -0.00 0.00 2.07 -0.29 -0.51 116.25 117.82 1p4r h VAL 121 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1p4r h VAL 121 Cb 0.39 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1p4r h VAL 121 CO 0.02 0.08 0.00 -0.08 0.02 0.00 0.00 177.57 177.62 1p4r h GLU 122 N 0.44 0.00 -0.35 1.57 4.57 -1.09 0.46 114.58 120.19 1p4r h GLU 122 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1p4r h GLU 122 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1p4r h GLU 122 CO -0.31 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 178.56 1p4r n GLN 123 N -3.66 1.89 -2.82 1.92 1.13 -0.21 -4.79 117.38 110.86 1p4r n GLN 123 Ca -0.03 -1.38 -0.43 0.00 -1.94 0.00 0.00 57.00 53.22 1p4r n GLN 123 Cb 0.08 -1.33 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 1p4r n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1p4r s ILE 124 N -1.54 4.33 0.01 5.09 1.01 0.15 -4.00 121.20 126.25 1p4r s ILE 124 Ca 0.28 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 1p4r s ILE 124 Cb 0.15 -4.59 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 1p4r s ILE 124 CO 0.20 -1.21 1.45 -0.62 0.00 0.00 0.00 174.94 174.77 1p4r s ASP 125 N 3.00 6.80 -0.11 3.58 -1.08 -1.26 -4.95 116.67 122.65 1p4r s ASP 125 Ca 0.30 2.18 -0.12 0.00 -0.52 0.00 0.00 52.55 54.38 1p4r s ASP 125 Cb -0.13 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 1p4r s ASP 125 CO 0.18 -0.76 -0.24 -0.38 0.52 0.00 0.00 175.17 174.49 1p4r n ILE 126 N 4.71 1.22 -0.26 4.11 2.08 -1.26 -4.43 119.36 125.53 1p4r n ILE 126 Ca 0.14 0.22 -0.03 0.00 0.56 0.00 0.00 62.75 63.64 1p4r n ILE 126 Cb 0.43 -2.09 0.08 0.00 -0.75 0.00 0.00 39.64 37.31 1p4r n ILE 126 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1p4r h GLY 127 N -0.69 1.05 0.79 7.39 0.00 -1.93 -2.64 103.07 107.04 1p4r h GLY 127 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1p4r h GLY 127 CO 0.00 0.30 0.01 -1.33 0.00 0.00 0.00 176.54 175.52 1p4r h GLY 128 N 0.91 0.15 0.47 4.60 0.00 -1.94 0.18 103.07 107.43 1p4r h GLY 128 Ca 0.29 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.74 1p4r h GLY 128 CO -0.10 -0.02 0.49 -2.08 0.00 0.00 0.00 176.54 174.82 1p4r h VAL 129 N 0.06 0.88 -0.03 4.60 2.07 -1.73 0.97 116.25 123.07 1p4r h VAL 129 Ca 0.07 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1p4r h VAL 129 Cb 0.08 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1p4r h VAL 129 CO -0.11 0.14 -0.43 0.74 0.02 0.00 0.00 177.57 177.93 1p4r h THR 130 N 0.79 1.32 -0.03 2.57 2.02 -1.01 0.02 112.91 118.57 1p4r h THR 130 Ca 0.42 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1p4r h THR 130 Cb 0.43 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1p4r h THR 130 CO -0.27 0.44 0.00 -0.07 0.37 0.00 0.00 175.52 175.99 1p4r h LEU 131 N 0.06 0.06 -0.17 2.58 3.38 0.17 -1.01 115.31 120.36 1p4r h LEU 131 Ca 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1p4r h LEU 131 Cb 0.79 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1p4r h LEU 131 CO 0.06 0.33 0.06 -0.07 0.09 0.00 0.00 178.44 178.91 1p4r h LEU 132 N -0.22 0.25 -0.57 1.67 3.38 -0.92 -1.62 115.31 117.28 1p4r h LEU 132 Ca 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1p4r h LEU 132 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1p4r h LEU 132 CO 0.00 0.37 0.15 0.03 0.09 0.00 0.00 178.44 179.08 1p4r h ARG 133 N 0.11 0.89 -0.46 1.13 3.08 -1.00 0.97 114.38 119.11 1p4r h ARG 133 Ca 0.06 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1p4r h ARG 133 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1p4r h ARG 133 CO -0.00 0.82 0.06 0.00 -1.07 0.00 0.00 179.97 179.78 1p4r h ALA 134 N 1.03 0.61 -0.46 0.04 0.00 -1.18 -0.32 119.26 118.99 1p4r h ALA 134 Ca 0.18 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1p4r h ALA 134 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1p4r h ALA 134 CO -0.00 0.34 0.05 0.00 0.00 0.00 0.00 179.25 179.64 1p4r h ALA 135 N 0.94 0.61 -0.76 0.00 0.00 -1.09 -1.98 119.26 116.99 1p4r h ALA 135 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1p4r h ALA 135 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1p4r h ALA 135 CO 0.01 0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.89 1p4r h ALA 136 N 0.94 0.99 -0.31 0.00 0.00 -0.65 -2.13 119.26 118.10 1p4r h ALA 136 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1p4r h ALA 136 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1p4r h ALA 136 CO 0.01 0.65 0.17 -0.22 0.00 0.00 0.00 179.25 179.87 1p4r h LYS 137 N 1.12 0.34 -1.19 0.00 3.64 -0.79 -1.73 116.57 117.96 1p4r h LYS 137 Ca 0.25 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.31 1p4r h LYS 137 Cb 0.27 -0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 31.86 1p4r h LYS 137 CO -0.01 0.23 0.39 -1.71 -2.27 0.00 0.00 179.45 176.07 1p4r n ASN 138 N -4.93 4.65 0.32 4.20 5.15 -0.77 -4.43 115.26 119.45 1p4r n ASN 138 Ca -0.01 -2.95 0.19 0.00 -0.60 0.00 0.00 54.58 51.21 1p4r n ASN 138 Cb 0.06 -0.83 1.07 0.00 -0.53 0.00 0.00 39.78 39.55 1p4r n ASN 138 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 1p4r h HIS 139 N 0.91 0.00 -0.68 1.20 2.07 -0.64 0.69 115.15 118.70 1p4r h HIS 139 Ca 0.33 0.00 0.20 0.00 -2.85 0.00 0.00 60.37 58.04 1p4r h HIS 139 Cb 1.55 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.50 1p4r h HIS 139 CO 0.84 0.00 0.62 0.00 -3.07 0.00 0.00 177.93 176.32 1p4r h ALA 140 N 2.00 2.50 0.00 6.11 0.00 -1.84 -3.29 119.26 124.74 1p4r h ALA 140 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1p4r h ALA 140 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1p4r h ALA 140 CO 0.00 -0.97 -0.68 -2.13 0.00 0.00 0.00 179.25 175.47 1p4r n ARG 141 N -3.84 0.00 -2.85 0.00 0.63 -0.27 -4.95 116.66 105.38 1p4r n ARG 141 Ca 0.14 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.68 1p4r n ARG 141 Cb 0.87 -0.65 -0.06 0.00 0.45 0.00 0.00 32.46 33.07 1p4r n ARG 141 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1p4r s VAL 142 N -1.80 4.22 -0.30 5.15 1.01 0.08 -4.96 120.40 123.80 1p4r s VAL 142 Ca 0.00 1.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.73 1p4r s VAL 142 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1p4r s VAL 142 CO 0.00 0.39 0.18 -0.89 0.00 0.00 0.00 175.10 174.78 1p4r s THR 143 N -1.32 5.01 -0.11 3.92 2.01 0.55 -4.32 115.64 121.39 1p4r s THR 143 Ca 0.42 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1p4r s THR 143 Cb -0.23 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1p4r s THR 143 CO 0.27 0.14 -0.16 0.54 -0.69 0.00 0.00 174.62 174.73 1p4r s VAL 144 N 1.70 2.83 -0.28 3.82 0.11 -1.26 -0.69 120.40 126.63 1p4r s VAL 144 Ca 0.06 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1p4r s VAL 144 Cb -0.17 -2.16 0.08 0.00 -1.53 0.00 0.00 36.38 32.61 1p4r s VAL 144 CO 0.09 0.54 0.01 -0.69 -3.33 0.00 0.00 175.10 171.72 1p4r s VAL 145 N 0.21 1.57 -0.84 2.04 1.01 0.27 -4.71 120.40 119.95 1p4r s VAL 145 Ca -0.10 -1.55 0.22 0.00 0.00 0.00 0.00 61.98 60.55 1p4r s VAL 145 Cb -0.16 -1.99 -0.22 0.00 0.00 0.00 0.00 36.38 34.01 1p4r s VAL 145 CO 0.06 -0.36 0.90 0.00 0.00 0.00 0.00 175.10 175.69 1p4r s GLU 147 N -3.08 2.63 0.61 0.00 0.41 -1.26 -4.47 118.70 113.53 1p4r s GLU 147 Ca 0.06 -1.16 0.29 0.00 -0.41 0.00 0.00 54.97 53.75 1p4r s GLU 147 Cb 0.16 -3.38 1.54 0.00 -1.78 0.00 0.00 34.13 30.67 1p4r s GLU 147 CO 0.86 -0.63 1.93 -1.35 -0.49 0.00 0.00 175.26 175.57 1p4r h PRO 148 N 8.17 0.00 0.00 0.39 0.11 -1.88 0.21 132.00 139.00 1p4r h PRO 148 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1p4r h PRO 148 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1p4r h PRO 148 CO 0.59 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.31 1p4r h GLU 149 N 0.00 0.00 -0.23 1.05 5.08 -1.93 -2.98 114.58 115.57 1p4r h GLU 149 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1p4r h GLU 149 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1p4r h GLU 149 CO -0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1p4r n ASP 150 N -2.51 2.54 0.39 1.42 8.00 0.75 -4.48 116.55 122.65 1p4r n ASP 150 Ca 0.02 -1.85 -0.17 0.00 0.71 0.00 0.00 54.79 53.50 1p4r n ASP 150 Cb 0.26 -0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1p4r n ASP 150 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1p4r h TYR 151 N 3.44 -1.07 -0.46 1.24 0.05 -1.65 -1.16 116.97 117.35 1p4r h TYR 151 Ca 0.00 -0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.86 1p4r h TYR 151 Cb 0.75 0.37 -0.08 0.00 1.01 0.00 0.00 36.73 38.78 1p4r h TYR 151 CO 0.14 -0.63 -0.08 -0.24 -1.05 0.00 0.00 178.16 176.31 1p4r h VAL 152 N -1.05 0.57 -0.88 -2.88 3.04 -1.83 0.16 116.25 113.37 1p4r h VAL 152 Ca -0.10 -0.01 0.17 0.00 -1.01 0.00 0.00 66.70 65.75 1p4r h VAL 152 Cb 0.83 0.53 -0.10 0.00 -2.01 0.00 0.00 31.29 30.54 1p4r h VAL 152 CO 0.13 0.01 0.46 0.58 -1.01 0.00 0.00 177.57 177.73 1p4r h VAL 153 N 0.03 0.68 0.02 1.51 2.07 -1.78 0.19 116.25 118.97 1p4r h VAL 153 Ca 0.22 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1p4r h VAL 153 Cb 0.34 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1p4r h VAL 153 CO -0.45 0.11 -0.01 0.58 0.02 0.00 0.00 177.57 177.83 1p4r h VAL 154 N 0.61 1.41 0.85 2.57 2.07 0.37 -2.63 116.25 121.49 1p4r h VAL 154 Ca 0.50 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1p4r h VAL 154 Cb 0.77 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1p4r h VAL 154 CO -0.40 0.34 -0.47 0.77 0.02 0.00 0.00 177.57 177.84 1p4r h SER 155 N -0.60 -1.15 -0.63 0.57 4.64 -0.44 -0.21 113.55 115.73 1p4r h SER 155 Ca -0.00 0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1p4r h SER 155 Cb 0.58 0.32 -0.08 0.00 -0.31 0.00 0.00 62.40 62.91 1p4r h SER 155 CO 0.00 -0.75 -0.37 0.41 -0.87 0.00 0.00 176.83 175.25 1p4r n THR 156 N -5.62 -0.43 -0.28 2.95 -1.04 0.62 0.18 114.28 110.67 1p4r n THR 156 Ca -0.15 1.98 0.08 0.00 -2.04 0.00 0.00 64.05 63.92 1p4r n THR 156 Cb 0.50 -2.49 0.23 0.00 -1.82 0.00 0.00 70.33 66.74 1p4r n THR 156 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1p4r h GLU 157 N 0.00 0.44 0.36 -2.82 4.81 -1.37 0.15 114.58 116.14 1p4r h GLU 157 Ca 0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1p4r h GLU 157 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1p4r h GLU 157 CO -0.59 0.29 -0.17 0.52 -0.73 0.00 0.00 179.01 178.33 1p4r h MET 158 N 0.45 -0.46 0.00 1.92 2.86 0.26 -0.16 114.93 119.80 1p4r h MET 158 Ca 0.47 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 1p4r h MET 158 Cb 0.76 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1p4r h MET 158 CO -0.44 -0.16 0.19 1.96 1.06 0.00 0.00 176.91 179.52 1p4r h GLN 159 N -0.79 0.00 -0.18 1.72 4.20 0.27 0.69 115.11 121.02 1p4r h GLN 159 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1p4r h GLN 159 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1p4r h GLN 159 CO 0.08 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.11 1p4r n SER 160 N -2.80 2.49 -4.93 1.46 3.41 0.46 -5.01 113.62 108.70 1p4r n SER 160 Ca -0.02 -1.73 -0.28 0.00 -0.26 0.00 0.00 58.87 56.57 1p4r n SER 160 Cb 0.24 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1p4r n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1p4r s SER 161 N -1.04 6.36 0.04 4.04 0.01 0.24 -5.02 113.70 118.33 1p4r s SER 161 Ca 0.20 0.25 -0.32 0.00 1.31 0.00 0.00 55.95 57.39 1p4r s SER 161 Cb 0.12 -1.95 -0.18 0.00 0.21 0.00 0.00 66.02 64.23 1p4r s SER 161 CO 0.17 0.09 1.41 -0.33 0.41 0.00 0.00 173.24 174.99 1p4r h GLU 162 N 2.55 -1.11 0.00 12.44 4.39 -1.87 -2.34 114.58 128.64 1p4r h GLU 162 Ca -0.47 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1p4r h GLU 162 Cb 1.18 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1p4r h GLU 162 CO 0.72 -0.74 0.00 -1.13 -1.16 0.00 0.00 179.01 176.70 1p4r n SER 163 N -5.28 0.00 -0.87 1.42 3.41 -1.26 -4.77 113.62 106.27 1p4r n SER 163 Ca -0.14 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 57.88 1p4r n SER 163 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1p4r n SER 163 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1p4r n LYS 164 N -0.96 -1.27 -4.40 4.33 4.81 -0.88 -4.96 118.16 114.83 1p4r n LYS 164 Ca 0.10 0.87 -0.24 0.00 -0.87 0.00 0.00 58.31 58.17 1p4r n LYS 164 Cb 0.04 -5.06 -0.09 0.00 0.02 0.00 0.00 35.03 29.95 1p4r n LYS 164 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1p4r s ASP 165 N -2.57 3.96 1.10 3.14 2.15 -1.26 -4.75 116.67 118.44 1p4r s ASP 165 Ca 0.00 -0.89 -0.16 0.00 0.43 0.00 0.00 52.55 51.93 1p4r s ASP 165 Cb 0.00 -0.51 0.24 0.00 -0.30 0.00 0.00 42.92 42.35 1p4r s ASP 165 CO 0.00 0.02 1.11 0.42 -0.17 0.00 0.00 175.17 176.55 1p4r s THR 166 N -2.44 1.79 0.16 1.71 -4.23 -1.26 -4.62 115.64 106.75 1p4r s THR 166 Ca 0.31 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1p4r s THR 166 Cb -0.05 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 1p4r s THR 166 CO 0.17 0.00 0.36 -0.94 -0.54 0.00 0.00 174.62 173.67 1p4r s SER 167 N -3.79 6.42 0.63 3.99 1.04 -1.26 -4.96 113.70 115.77 1p4r s SER 167 Ca 0.69 0.44 0.36 0.00 0.48 0.00 0.00 55.95 57.92 1p4r s SER 167 Cb -0.13 -2.03 2.07 0.00 0.10 0.00 0.00 66.02 66.03 1p4r s SER 167 CO 0.56 0.02 2.27 0.25 0.98 0.00 0.00 173.24 177.32 1p4r h LEU 168 N 2.42 0.00 -0.13 2.42 5.85 -1.94 -0.63 115.31 123.31 1p4r h LEU 168 Ca -0.47 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 1p4r h LEU 168 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1p4r h LEU 168 CO 0.71 0.00 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.69 1p4r h GLU 169 N 0.00 0.25 -0.48 1.25 4.57 -1.98 -1.96 114.58 116.22 1p4r h GLU 169 Ca 0.01 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 1p4r h GLU 169 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1p4r h GLU 169 CO -0.00 0.55 -0.15 1.15 -1.18 0.00 0.00 179.01 179.38 1p4r h THR 170 N -0.07 1.27 -0.05 0.32 2.02 -1.56 -1.45 112.91 113.38 1p4r h THR 170 Ca 0.03 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1p4r h THR 170 Cb 0.46 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1p4r h THR 170 CO 0.01 0.45 -0.07 0.03 0.37 0.00 0.00 175.52 176.31 1p4r h ARG 171 N 0.80 0.08 0.07 6.66 3.08 -1.17 0.37 114.38 124.27 1p4r h ARG 171 Ca 0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1p4r h ARG 171 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1p4r h ARG 171 CO 0.05 0.16 -0.03 0.00 -1.07 0.00 0.00 179.97 179.08 1p4r h ARG 172 N 0.08 -0.09 -0.52 0.04 3.08 -1.14 0.20 114.38 116.03 1p4r h ARG 172 Ca 0.02 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1p4r h ARG 172 Cb 0.18 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 1p4r h ARG 172 CO 0.01 0.48 -0.07 0.37 -1.07 0.00 0.00 179.97 179.70 1p4r h GLN 173 N -0.88 0.05 -0.59 0.04 -0.00 -0.95 0.17 115.11 112.95 1p4r h GLN 173 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1p4r h GLN 173 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.05 1p4r h GLN 173 CO 0.02 0.03 0.26 -0.07 0.00 0.00 0.00 178.83 179.07 1p4r h LEU 174 N 0.05 0.75 -0.06 -2.39 3.38 -0.27 -1.77 115.31 115.00 1p4r h LEU 174 Ca 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1p4r h LEU 174 Cb 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1p4r h LEU 174 CO -0.49 0.66 0.01 0.00 0.09 0.00 0.00 178.44 178.71 1p4r h ALA 175 N 1.46 0.08 -0.93 1.53 0.00 0.17 -1.81 119.26 119.75 1p4r h ALA 175 Ca 0.20 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1p4r h ALA 175 Cb 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1p4r h ALA 175 CO -0.02 -0.27 0.57 1.25 0.00 0.00 0.00 179.25 180.77 1p4r h LEU 176 N -0.15 0.84 -0.99 0.00 5.85 -0.50 -0.29 115.31 120.07 1p4r h LEU 176 Ca 0.02 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1p4r h LEU 176 Cb 0.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1p4r h LEU 176 CO 0.00 0.47 -0.07 0.50 -0.34 0.00 0.00 178.44 179.00 1p4r h LYS 177 N 0.94 0.65 -0.17 1.25 3.64 -1.14 -1.34 116.57 120.39 1p4r h LYS 177 Ca 0.45 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1p4r h LYS 177 Cb 0.39 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1p4r h LYS 177 CO -0.24 0.72 -0.09 0.00 -2.27 0.00 0.00 179.45 177.56 1p4r h ALA 178 N 1.32 0.25 -0.07 5.00 0.00 -0.22 -1.29 119.26 124.25 1p4r h ALA 178 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1p4r h ALA 178 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p4r h ALA 178 CO 0.03 0.07 -0.26 0.74 0.00 0.00 0.00 179.25 179.83 1p4r h PHE 179 N 0.05 0.13 -0.43 0.00 0.04 -1.19 -0.76 116.94 114.79 1p4r h PHE 179 Ca 0.04 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1p4r h PHE 179 Cb 0.58 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1p4r h PHE 179 CO 0.07 0.38 0.09 1.15 -0.60 0.00 0.00 178.31 179.39 1p4r h THR 180 N 0.11 1.24 -0.07 -1.55 2.02 -1.03 0.04 112.91 113.68 1p4r h THR 180 Ca 0.02 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.38 1p4r h THR 180 Cb 0.52 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1p4r h THR 180 CO 0.04 0.30 -0.11 -0.74 0.37 0.00 0.00 175.52 175.37 1p4r h HIS 181 N 0.57 -0.28 -0.24 3.16 -0.00 -0.53 0.03 115.15 117.87 1p4r h HIS 181 Ca 0.13 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 1p4r h HIS 181 Cb 0.35 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1p4r h HIS 181 CO 0.02 -0.17 -0.32 1.79 -0.00 0.00 0.00 177.93 179.26 1p4r h THR 182 N -0.16 1.28 -0.75 6.26 1.35 -1.07 -1.32 112.91 118.51 1p4r h THR 182 Ca 0.06 -1.40 0.02 0.00 -0.55 0.00 0.00 66.41 64.55 1p4r h THR 182 Cb 0.25 1.45 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 1p4r h THR 182 CO -0.16 0.44 0.48 0.00 -0.25 0.00 0.00 175.52 176.03 1p4r h ALA 183 N 1.24 0.97 -0.17 6.62 0.00 -0.41 -1.49 119.26 126.02 1p4r h ALA 183 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1p4r h ALA 183 Cb 0.76 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1p4r h ALA 183 CO 0.06 0.29 -0.02 1.96 0.00 0.00 0.00 179.25 181.54 1p4r h GLN 184 N 0.95 0.31 -0.14 0.00 1.08 -0.75 -1.30 115.11 115.26 1p4r h GLN 184 Ca 0.29 -0.11 0.05 0.00 -1.45 0.00 0.00 58.65 57.43 1p4r h GLN 184 Cb -0.02 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 1p4r h GLN 184 CO -0.10 0.56 -0.29 -0.92 -0.95 0.00 0.00 178.83 177.13 1p4r h TYR 185 N 0.03 -0.79 -0.16 2.96 3.20 -0.90 0.26 116.97 121.57 1p4r h TYR 185 Ca 0.04 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1p4r h TYR 185 Cb 0.43 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1p4r h TYR 185 CO 0.04 -0.37 -0.34 -0.44 -1.64 0.00 0.00 178.16 175.41 1p4r h ASP 186 N -0.36 0.34 0.28 -2.11 3.32 -1.28 0.42 116.42 117.04 1p4r h ASP 186 Ca 0.10 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1p4r h ASP 186 Cb 0.51 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1p4r h ASP 186 CO -0.34 0.66 -0.15 -0.08 -1.72 0.00 0.00 179.24 177.62 1p4r h GLU 187 N 0.28 -0.38 -0.95 3.56 4.57 -0.29 0.12 114.58 121.49 1p4r h GLU 187 Ca 0.03 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1p4r h GLU 187 Cb 0.74 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.35 1p4r h GLU 187 CO 0.06 -0.26 0.60 0.00 -1.18 0.00 0.00 179.01 178.23 1p4r h ALA 188 N 0.32 1.36 0.09 2.92 0.00 -0.18 0.16 119.26 123.94 1p4r h ALA 188 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1p4r h ALA 188 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1p4r h ALA 188 CO 0.05 0.32 -0.05 0.82 0.00 0.00 0.00 179.25 180.39 1p4r h ILE 189 N 1.04 1.12 -0.21 0.00 2.04 -0.49 -1.48 117.51 119.54 1p4r h ILE 189 Ca 0.43 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1p4r h ILE 189 Cb 0.27 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1p4r h ILE 189 CO -0.21 0.21 0.08 0.77 0.00 0.00 0.00 178.15 179.01 1p4r h SER 190 N -0.54 0.26 0.12 1.72 4.64 -0.52 -1.28 113.55 117.94 1p4r h SER 190 Ca -0.01 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1p4r h SER 190 Cb 0.45 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1p4r h SER 190 CO 0.02 0.24 -0.06 -0.78 -0.87 0.00 0.00 176.83 175.38 1p4r h ASP 191 N 0.29 -0.14 -0.86 4.97 3.58 -0.51 -0.55 116.42 123.20 1p4r h ASP 191 Ca 0.08 -0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.56 1p4r h ASP 191 Cb 0.06 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.08 1p4r h ASP 191 CO -0.01 -0.04 0.51 0.22 -2.88 0.00 0.00 179.24 177.04 1p4r h TYR 192 N -0.22 0.93 -0.06 0.28 3.20 -0.42 -1.34 116.97 119.34 1p4r h TYR 192 Ca -0.02 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1p4r h TYR 192 Cb 0.18 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1p4r h TYR 192 CO -0.05 0.41 -0.55 0.74 -1.64 0.00 0.00 178.16 177.07 1p4r h PHE 193 N 0.87 0.20 0.18 -3.82 0.04 -1.01 -0.08 116.94 113.34 1p4r h PHE 193 Ca 0.40 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 1p4r h PHE 193 Cb 0.32 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1p4r h PHE 193 CO -0.05 0.67 -0.09 0.00 -0.60 0.00 0.00 178.31 178.25 1p4r h ARG 194 N 0.13 -0.24 -0.74 1.51 3.08 -0.04 0.49 114.38 118.58 1p4r h ARG 194 Ca -0.00 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1p4r h ARG 194 Cb 1.00 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1p4r h ARG 194 CO 0.08 -0.04 0.48 0.87 -1.07 0.00 0.00 179.97 180.29 1p4r h LYS 195 N -0.39 0.98 0.10 0.04 1.57 -1.12 2.12 116.57 119.87 1p4r h LYS 195 Ca -0.02 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1p4r h LYS 195 Cb 0.30 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1p4r h LYS 195 CO 0.04 0.65 -0.76 1.96 -0.57 0.00 0.00 179.45 180.77 1p4r h GLN 196 N 1.00 0.33 -0.00 3.15 1.08 -0.87 -3.37 115.11 116.43 1p4r h GLN 196 Ca 0.27 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1p4r h GLN 196 Cb -0.11 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1p4r h GLN 196 CO -0.06 1.21 -0.55 0.66 -0.95 0.00 0.00 178.83 179.14 1p4r n TYR 197 N -4.15 0.00 -1.45 2.96 4.01 0.17 -4.71 117.16 114.00 1p4r n TYR 197 Ca -0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.68 1p4r n TYR 197 Cb 0.78 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.92 1p4r n TYR 197 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1p4r n SER 198 N -1.20 1.60 -4.68 7.72 2.88 0.71 -5.00 113.62 115.66 1p4r n SER 198 Ca 0.03 -2.85 -0.49 0.00 -1.33 0.00 0.00 58.87 54.22 1p4r n SER 198 Cb 0.20 -0.38 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1p4r n SER 198 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1p4r n LYS 199 N -0.93 1.98 -0.99 -1.46 4.81 -1.09 0.04 118.16 120.52 1p4r n LYS 199 Ca 0.12 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1p4r n LYS 199 Cb 0.69 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1p4r n LYS 199 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1p4r n GLY 200 N 4.06 0.70 0.88 3.14 0.00 0.92 -4.86 105.19 110.03 1p4r n GLY 200 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1p4r n GLY 200 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p4r n VAL 201 N -2.52 0.21 0.39 1.61 0.31 0.11 -4.89 118.33 113.55 1p4r n VAL 201 Ca 0.00 0.12 0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1p4r n VAL 201 Cb 0.01 -1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 31.72 1p4r n VAL 201 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1p4r n SER 202 N -2.69 0.54 -4.25 4.52 3.41 -0.87 -0.11 113.62 114.17 1p4r n SER 202 Ca -0.00 -0.67 -0.16 0.00 -0.26 0.00 0.00 58.87 57.78 1p4r n SER 202 Cb 0.01 1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 1p4r n SER 202 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1p4r s GLN 203 N -1.87 1.07 -0.29 4.33 -0.44 -1.12 -0.30 119.66 121.04 1p4r s GLN 203 Ca 0.03 -1.38 -0.08 0.00 -2.50 0.00 0.00 55.36 51.43 1p4r s GLN 203 Cb 0.07 -0.77 0.14 0.00 -1.64 0.00 0.00 33.01 30.80 1p4r s GLN 203 CO 0.36 0.12 0.62 1.41 0.50 0.00 0.00 175.29 178.30 1p4r s MET 204 N -3.33 0.55 0.33 1.67 1.75 0.15 -0.06 119.30 120.37 1p4r s MET 204 Ca 0.14 1.35 -0.27 0.00 -1.25 0.00 0.00 55.69 55.66 1p4r s MET 204 Cb -0.01 0.77 -0.09 0.00 2.84 0.00 0.00 34.83 38.34 1p4r s MET 204 CO 0.02 -0.27 1.06 -2.14 -0.65 0.00 0.00 175.02 173.04 1p4r s PRO 205 N 2.86 4.47 0.18 4.11 0.02 -1.26 -0.24 135.00 145.15 1p4r s PRO 205 Ca -0.02 1.65 0.08 0.00 0.02 0.00 0.00 61.00 62.73 1p4r s PRO 205 Cb -0.12 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 1p4r s PRO 205 CO -0.19 0.10 -0.02 -0.51 -0.33 0.00 0.00 177.00 176.05 1p4r s LEU 206 N -1.92 3.22 0.18 -5.54 1.43 -0.83 -4.89 118.68 110.33 1p4r s LEU 206 Ca 0.50 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 1p4r s LEU 206 Cb -0.27 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.19 1p4r s LEU 206 CO 0.34 0.08 1.61 0.03 0.23 0.00 0.00 176.35 178.65 1p4r h ARG 207 N 2.67 -0.16 -2.63 1.70 3.08 -1.87 -3.40 114.38 113.77 1p4r h ARG 207 Ca -0.47 0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.71 1p4r h ARG 207 Cb 1.21 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1p4r h ARG 207 CO 0.57 -0.11 0.48 1.52 -1.07 0.00 0.00 179.97 181.37 1p4r s TYR 208 N -6.07 0.05 0.00 3.04 -0.85 -1.26 -4.88 117.35 107.37 1p4r s TYR 208 Ca -0.15 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 1p4r s TYR 208 Cb 0.15 0.73 0.00 0.00 0.38 0.00 0.00 41.96 43.22 1p4r s TYR 208 CO 0.70 -1.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.05 1p4r n GLY 209 N -0.62 0.89 0.39 5.49 0.00 0.26 -2.81 105.19 108.79 1p4r n GLY 209 Ca -0.05 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.79 1p4r n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1p4r h MET 210 N 0.00 0.36 -3.85 1.61 1.85 -1.95 -3.38 114.93 109.56 1p4r h MET 210 Ca 0.00 -0.02 -0.12 0.00 -0.61 0.00 0.00 59.70 58.95 1p4r h MET 210 Cb 0.00 -0.08 -0.17 0.00 0.43 0.00 0.00 31.60 31.78 1p4r h MET 210 CO 0.00 0.24 -0.51 -0.80 -0.40 0.00 0.00 176.91 175.44 1p4r s ASN 211 N -5.88 0.21 0.45 1.39 0.01 -1.26 -4.89 114.94 104.96 1p4r s ASN 211 Ca -0.08 -0.61 0.25 0.00 -0.71 0.00 0.00 52.86 51.71 1p4r s ASN 211 Cb 0.21 0.25 1.27 0.00 0.41 0.00 0.00 41.25 43.39 1p4r s ASN 211 CO 0.77 -0.56 1.77 -0.65 -1.51 0.00 0.00 177.10 176.91 1p4r h PRO 212 N 3.42 0.24 0.00 -0.60 0.11 -1.94 0.15 132.00 133.37 1p4r h PRO 212 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1p4r h PRO 212 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1p4r h PRO 212 CO 0.54 0.16 0.00 -2.39 -0.21 0.00 0.00 178.00 176.09 1p4r n HIS 213 N -4.50 0.00 -3.25 0.65 1.44 -1.26 -4.42 115.22 103.89 1p4r n HIS 213 Ca 0.26 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.52 1p4r n HIS 213 Cb 1.04 -0.41 -0.01 0.00 0.12 0.00 0.00 29.99 30.72 1p4r n HIS 213 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1p4r s GLN 214 N -2.83 3.90 0.06 -1.40 -0.21 0.53 -4.98 119.66 114.73 1p4r s GLN 214 Ca 0.19 -2.70 0.01 0.00 0.02 0.00 0.00 55.36 52.88 1p4r s GLN 214 Cb 0.18 -4.60 -0.03 0.00 1.00 0.00 0.00 33.01 29.56 1p4r s GLN 214 CO 0.47 -1.38 -0.06 -0.08 -2.12 0.00 0.00 175.29 172.12 1p4r s THR 215 N 0.02 0.50 0.90 -0.19 -1.32 -1.26 0.91 115.64 115.20 1p4r s THR 215 Ca 0.27 -1.43 -0.13 0.00 -1.21 0.00 0.00 61.69 59.20 1p4r s THR 215 Cb -0.09 -1.03 0.17 0.00 -1.51 0.00 0.00 72.50 70.05 1p4r s THR 215 CO -0.08 -0.63 1.24 -2.16 -2.21 0.00 0.00 174.62 170.78 1p4r s PRO 216 N -2.59 0.99 0.06 7.08 0.04 -1.26 -5.04 135.00 134.28 1p4r s PRO 216 Ca -0.02 -0.48 -0.16 0.00 0.04 0.00 0.00 61.00 60.39 1p4r s PRO 216 Cb -0.03 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1p4r s PRO 216 CO -0.03 -2.14 0.36 0.00 0.04 0.00 0.00 177.00 175.23 1p4r s ALA 217 N -3.71 -0.83 0.20 8.56 0.00 -1.26 -4.73 121.76 119.98 1p4r s ALA 217 Ca 0.71 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 1p4r s ALA 217 Cb -0.05 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.51 1p4r s ALA 217 CO 0.51 -0.47 0.59 1.14 0.00 0.00 0.00 175.76 177.53 1p4r s GLN 218 N -2.79 1.44 -0.02 0.00 -2.07 -1.26 -1.97 119.66 113.00 1p4r s GLN 218 Ca -0.03 -0.76 0.08 0.00 -1.82 0.00 0.00 55.36 52.83 1p4r s GLN 218 Cb -0.00 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.46 1p4r s GLN 218 CO -0.05 -0.63 -0.25 -1.17 -1.32 0.00 0.00 175.29 171.87 1p4r s LEU 219 N -2.84 2.09 0.17 2.60 2.96 0.67 -4.92 118.68 119.41 1p4r s LEU 219 Ca 0.07 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 1p4r s LEU 219 Cb -0.02 -1.35 0.06 0.00 0.50 0.00 0.00 46.19 45.38 1p4r s LEU 219 CO -0.04 0.32 0.71 -0.72 -1.32 0.00 0.00 176.35 175.30 1p4r s TYR 220 N -0.63 -0.37 0.17 5.38 -0.85 -1.26 0.33 117.35 120.12 1p4r s TYR 220 Ca 0.10 0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.77 1p4r s TYR 220 Cb -0.10 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 1p4r s TYR 220 CO -0.01 -0.91 -0.04 -0.08 -1.52 0.00 0.00 175.55 172.99 1p4r s THR 221 N -3.66 0.93 -1.44 -3.49 -1.32 0.59 -4.99 115.64 102.25 1p4r s THR 221 Ca 0.06 -2.01 0.24 0.00 -1.21 0.00 0.00 61.69 58.76 1p4r s THR 221 Cb -0.02 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 1p4r s THR 221 CO -0.05 -0.58 1.23 0.18 -2.21 0.00 0.00 174.62 173.19 1p4r n LEU 222 N -0.24 1.15 -4.91 9.08 4.77 -1.26 -4.80 117.00 120.78 1p4r n LEU 222 Ca -0.08 -0.39 -0.27 0.00 -0.03 0.00 0.00 56.01 55.24 1p4r n LEU 222 Cb 0.62 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1p4r n LEU 222 CO 0.33 0.24 0.69 -1.10 -1.33 0.00 0.00 177.39 176.22 1p4r s GLN 223 N -2.75 2.20 0.44 3.23 -0.21 -1.26 -4.97 119.66 116.33 1p4r s GLN 223 Ca 0.15 -0.04 0.12 0.00 0.02 0.00 0.00 55.36 55.61 1p4r s GLN 223 Cb 0.18 -2.08 0.96 0.00 1.00 0.00 0.00 33.01 33.07 1p4r s GLN 223 CO 0.67 -1.34 2.01 -1.35 -2.12 0.00 0.00 175.29 173.17 1p4r h PRO 224 N -0.76 0.18 -3.78 2.91 0.11 -1.97 -3.45 132.00 125.24 1p4r h PRO 224 Ca -0.45 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1p4r h PRO 224 Cb 1.31 -0.03 -0.25 0.00 0.11 0.00 0.00 31.00 32.14 1p4r h PRO 224 CO 0.63 0.24 -0.69 0.15 -0.21 0.00 0.00 178.00 178.12 1p4r s LYS 225 N -4.92 0.14 0.47 1.05 3.01 -1.26 -3.93 119.74 114.29 1p4r s LYS 225 Ca -0.05 -0.21 -0.22 0.00 -1.01 0.00 0.00 55.97 54.48 1p4r s LYS 225 Cb 0.16 0.05 -0.08 0.00 -1.01 0.00 0.00 37.83 36.95 1p4r s LYS 225 CO 0.71 -0.02 1.09 -0.51 0.51 0.00 0.00 175.35 177.13 1p4r s LEU 226 N -0.54 3.95 0.00 3.17 1.43 0.84 -4.91 118.68 122.62 1p4r s LEU 226 Ca -0.06 2.10 0.30 0.00 -1.03 0.00 0.00 54.13 55.44 1p4r s LEU 226 Cb -0.04 -4.38 1.44 0.00 0.03 0.00 0.00 46.19 43.24 1p4r s LEU 226 CO -0.00 -0.83 1.97 -0.81 0.23 0.00 0.00 176.35 176.91 1p4r n PRO 227 N -0.67 1.08 -4.99 1.29 -0.04 -1.26 -4.76 135.00 125.66 1p4r n PRO 227 Ca 0.08 -0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 62.87 1p4r n PRO 227 Cb 0.50 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1p4r n PRO 227 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1p4r s ILE 228 N -2.16 2.62 -0.00 0.52 2.07 -1.26 -0.40 121.20 122.58 1p4r s ILE 228 Ca 0.39 -0.83 0.06 0.00 -1.41 0.00 0.00 60.65 58.85 1p4r s ILE 228 Cb 0.21 -2.05 -0.02 0.00 0.13 0.00 0.00 42.46 40.74 1p4r s ILE 228 CO 0.39 0.55 -0.18 0.42 -1.91 0.00 0.00 174.94 174.21 1p4r s THR 229 N 0.19 1.44 -0.55 4.00 -4.23 -0.41 -4.94 115.64 111.12 1p4r s THR 229 Ca -0.11 -0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 59.33 1p4r s THR 229 Cb -0.16 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.52 1p4r s THR 229 CO 0.06 0.36 0.96 -0.69 -0.54 0.00 0.00 174.62 174.77 1p4r s VAL 230 N -0.49 4.36 -0.36 2.29 1.01 -1.26 -1.11 120.40 124.84 1p4r s VAL 230 Ca 0.07 0.32 0.22 0.00 0.00 0.00 0.00 61.98 62.58 1p4r s VAL 230 Cb -0.07 -4.56 0.23 0.00 0.00 0.00 0.00 36.38 31.99 1p4r s VAL 230 CO -0.00 -1.13 1.46 -0.07 0.00 0.00 0.00 175.10 175.36 1p4r h LEU 231 N 11.05 0.00 -7.00 3.92 3.38 -1.37 -3.47 115.31 121.82 1p4r h LEU 231 Ca -0.26 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1p4r h LEU 231 Cb 1.07 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.57 1p4r h LEU 231 CO 1.10 0.07 0.47 0.21 0.09 0.00 0.00 178.44 180.38 1p4r s ASN 232 N -6.07 -0.44 0.15 -0.43 2.47 -1.13 -4.95 114.94 104.54 1p4r s ASN 232 Ca 0.05 0.71 0.00 0.00 0.42 0.00 0.00 52.86 54.04 1p4r s ASN 232 Cb 0.06 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 40.54 1p4r s ASN 232 CO 0.70 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.46 1p4r n GLY 233 N 1.67 -0.70 3.24 1.21 0.00 -1.24 -0.81 105.19 108.56 1p4r n GLY 233 Ca -0.12 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1p4r n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4r s ALA 234 N -1.15 -1.14 0.57 4.61 0.00 -1.26 -4.94 121.76 118.46 1p4r s ALA 234 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1p4r s ALA 234 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1p4r s ALA 234 CO 0.00 -0.78 1.07 -1.25 0.00 0.00 0.00 175.76 174.80 1p4r s PRO 235 N 2.61 3.35 0.34 0.00 0.04 -1.26 -4.86 135.00 135.22 1p4r s PRO 235 Ca -0.01 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.38 1p4r s PRO 235 Cb -0.12 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1p4r s PRO 235 CO -0.13 -0.80 0.31 0.41 0.04 0.00 0.00 177.00 176.83 1p4r n GLY 236 N -0.63 2.65 0.07 0.56 0.00 -1.26 -3.24 105.19 103.35 1p4r n GLY 236 Ca 0.09 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1p4r n GLY 236 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p4r h PHE 237 N 0.48 -0.07 -0.51 1.61 3.04 -1.70 -3.00 116.94 116.78 1p4r h PHE 237 Ca -0.20 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.63 1p4r h PHE 237 Cb 0.78 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1p4r h PHE 237 CO 0.00 0.19 -0.13 0.82 -2.02 0.00 0.00 178.31 177.17 1p4r h ILE 238 N -0.32 1.27 -0.61 1.41 2.04 -1.87 -2.51 117.51 116.92 1p4r h ILE 238 Ca -0.01 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.69 1p4r h ILE 238 Cb 0.29 1.01 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 1p4r h ILE 238 CO 0.01 0.45 -0.13 0.78 0.00 0.00 0.00 178.15 179.26 1p4r h ASN 239 N 0.87 -0.53 -0.05 1.72 -0.26 -1.96 0.52 115.58 115.89 1p4r h ASN 239 Ca 0.13 0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.97 1p4r h ASN 239 Cb 0.69 0.36 -0.01 0.00 -1.06 0.00 0.00 38.32 38.30 1p4r h ASN 239 CO 0.05 -0.19 -0.18 -0.07 -1.06 0.00 0.00 177.43 175.98 1p4r h LEU 240 N 0.01 0.42 -0.65 1.61 3.38 -1.37 0.31 115.31 119.01 1p4r h LEU 240 Ca 0.30 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1p4r h LEU 240 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1p4r h LEU 240 CO -0.61 0.62 -0.20 0.00 0.09 0.00 0.00 178.44 178.34 1p4r h ASP 242 N 0.74 -0.45 -0.63 0.00 3.32 0.44 -3.15 116.42 116.68 1p4r h ASP 242 Ca 0.10 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1p4r h ASP 242 Cb 0.72 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1p4r h ASP 242 CO 0.06 -0.03 0.34 0.00 -1.72 0.00 0.00 179.24 177.89 1p4r h ALA 243 N -0.70 0.83 -0.07 3.45 0.00 -0.37 0.31 119.26 122.71 1p4r h ALA 243 Ca -0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1p4r h ALA 243 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1p4r h ALA 243 CO 0.09 0.01 -0.58 -0.07 0.00 0.00 0.00 179.25 178.70 1p4r h LEU 244 N 0.64 0.27 -0.03 0.00 3.38 -1.11 0.40 115.31 118.85 1p4r h LEU 244 Ca 0.28 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 1p4r h LEU 244 Cb 0.17 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.86 1p4r h LEU 244 CO -0.18 0.79 -1.06 0.78 0.09 0.00 0.00 178.44 178.87 1p4r h ASN 245 N 0.18 0.74 -0.50 -0.43 2.35 -1.47 -2.84 115.58 113.62 1p4r h ASN 245 Ca -0.00 -0.62 -0.13 0.00 -0.55 0.00 0.00 56.30 55.00 1p4r h ASN 245 Cb 1.08 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1p4r h ASN 245 CO 0.09 1.43 -0.19 0.00 -1.65 0.00 0.00 177.43 177.11 1p4r h ALA 246 N 0.52 0.69 -0.67 -0.83 0.00 -0.82 -1.34 119.26 116.81 1p4r h ALA 246 Ca -0.12 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1p4r h ALA 246 Cb 1.71 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1p4r h ALA 246 CO 0.20 0.66 0.34 2.35 0.00 0.00 0.00 179.25 182.80 1p4r h TRP 247 N 0.86 0.61 -0.34 0.00 2.91 -0.21 -0.63 115.95 119.15 1p4r h TRP 247 Ca 0.12 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.03 1p4r h TRP 247 Cb 0.77 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1p4r h TRP 247 CO 0.05 0.25 -0.34 1.96 -1.03 0.00 0.00 178.44 179.33 1p4r h GLN 248 N 0.60 0.78 0.46 2.65 4.20 -1.24 -1.48 115.11 121.08 1p4r h GLN 248 Ca 0.32 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1p4r h GLN 248 Cb 0.29 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1p4r h GLN 248 CO -0.24 1.00 -0.29 1.25 -0.67 0.00 0.00 178.83 179.89 1p4r h LEU 249 N 0.65 -0.73 -1.10 1.46 6.46 -0.18 0.39 115.31 122.26 1p4r h LEU 249 Ca 0.07 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1p4r h LEU 249 Cb 0.88 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1p4r h LEU 249 CO 0.08 -0.46 -0.34 -0.37 -0.62 0.00 0.00 178.44 176.74 1p4r h VAL 250 N -0.72 0.87 -0.34 1.05 -1.51 -1.20 -1.03 116.25 113.37 1p4r h VAL 250 Ca -0.05 -1.35 -0.15 0.00 -1.23 0.00 0.00 66.70 63.91 1p4r h VAL 250 Cb 0.59 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1p4r h VAL 250 CO 0.05 0.33 -0.39 0.50 -1.23 0.00 0.00 177.57 176.83 1p4r h LYS 251 N 0.00 0.83 -0.02 5.19 3.64 -0.98 -2.02 116.57 123.21 1p4r h LYS 251 Ca -0.00 -0.43 -0.18 0.00 -1.27 0.00 0.00 60.65 58.77 1p4r h LYS 251 Cb 0.80 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1p4r h LYS 251 CO 0.04 1.07 -0.78 0.93 -2.27 0.00 0.00 179.45 178.45 1p4r h GLU 252 N 0.68 0.19 0.01 1.90 5.08 -0.66 -2.60 114.58 119.18 1p4r h GLU 252 Ca 0.06 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1p4r h GLU 252 Cb 0.96 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1p4r h GLU 252 CO 0.09 0.88 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.86 1p4r h LEU 253 N 0.12 -0.14 -0.17 1.33 3.38 -0.95 -1.33 115.31 117.54 1p4r h LEU 253 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1p4r h LEU 253 Cb 1.36 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1p4r h LEU 253 CO 0.12 -0.08 0.11 0.50 0.09 0.00 0.00 178.44 179.19 1p4r h LYS 254 N -0.09 0.23 -0.62 1.13 3.64 -1.36 -0.56 116.57 118.93 1p4r h LYS 254 Ca 0.02 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1p4r h LYS 254 Cb 0.11 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1p4r h LYS 254 CO -0.04 0.15 0.34 1.49 -2.27 0.00 0.00 179.45 179.12 1p4r h GLU 255 N 0.23 0.63 -0.04 1.90 4.57 -1.34 0.16 114.58 120.69 1p4r h GLU 255 Ca 0.06 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1p4r h GLU 255 Cb -0.02 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1p4r h GLU 255 CO -0.01 0.41 -0.58 0.00 -1.18 0.00 0.00 179.01 177.65 1p4r h ALA 256 N 1.32 0.96 -0.00 2.92 0.00 -0.93 -3.35 119.26 120.18 1p4r h ALA 256 Ca 0.27 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1p4r h ALA 256 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1p4r h ALA 256 CO -0.17 0.72 -0.00 1.28 0.00 0.00 0.00 179.25 181.08 1p4r n LEU 257 N -3.87 1.01 -2.34 0.00 4.77 -0.25 -4.94 117.00 111.38 1p4r n LEU 257 Ca -0.02 -0.97 -0.21 0.00 -0.03 0.00 0.00 56.01 54.78 1p4r n LEU 257 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1p4r n LEU 257 CO 0.43 0.24 -0.26 0.61 -1.33 0.00 0.00 177.39 177.08 1p4r n GLY 258 N 0.10 -0.32 2.91 -0.72 0.00 0.53 -4.99 105.19 102.70 1p4r n GLY 258 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1p4r n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4r s ILE 259 N -3.03 0.29 0.31 -0.61 1.01 -1.25 -5.08 121.20 112.85 1p4r s ILE 259 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.26 1p4r s ILE 259 Cb 0.00 -0.28 -0.14 0.00 0.01 0.00 0.00 42.46 42.06 1p4r s ILE 259 CO 0.00 0.10 0.86 -2.65 0.00 0.00 0.00 174.94 173.25 1p4r n PRO 260 N 3.23 1.03 -4.24 2.79 -0.02 -1.26 -4.15 135.00 132.38 1p4r n PRO 260 Ca -0.16 0.36 -0.20 0.00 -2.02 0.00 0.00 63.50 61.49 1p4r n PRO 260 Cb 0.57 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1p4r n PRO 260 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p4r s ALA 261 N -1.15 1.50 0.04 3.55 0.00 -1.26 -0.28 121.76 124.16 1p4r s ALA 261 Ca 0.61 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1p4r s ALA 261 Cb -0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1p4r s ALA 261 CO 0.59 0.20 0.00 0.00 0.00 0.00 0.00 175.76 176.55 1p4r s ALA 262 N -1.59 0.28 0.03 0.00 0.00 -0.11 -0.16 121.76 120.22 1p4r s ALA 262 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1p4r s ALA 262 Cb -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1p4r s ALA 262 CO 0.03 -0.32 0.11 0.00 0.00 0.00 0.00 175.76 175.58 1p4r s ALA 263 N -3.09 -0.13 -0.23 0.00 0.00 -0.43 -0.72 121.76 117.15 1p4r s ALA 263 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1p4r s ALA 263 Cb 0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1p4r s ALA 263 CO -0.07 -0.30 -0.11 0.45 0.00 0.00 0.00 175.76 175.74 1p4r s SER 264 N -1.97 4.04 0.02 0.00 0.15 0.13 -2.28 113.70 113.79 1p4r s SER 264 Ca -0.07 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 55.67 1p4r s SER 264 Cb -0.03 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1p4r s SER 264 CO -0.03 -0.11 -0.03 -0.36 1.20 0.00 0.00 173.24 173.91 1p4r s PHE 265 N 1.27 2.98 -0.11 3.44 0.40 0.00 0.84 117.98 126.80 1p4r s PHE 265 Ca -0.01 0.01 -0.05 0.00 -0.60 0.00 0.00 56.93 56.29 1p4r s PHE 265 Cb -0.16 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.80 1p4r s PHE 265 CO -0.07 0.43 0.24 0.15 0.70 0.00 0.00 175.22 176.67 1p4r s LYS 266 N -1.64 0.14 -1.22 0.44 -0.14 -0.10 -0.87 119.74 116.35 1p4r s LYS 266 Ca 0.20 0.64 -0.10 0.00 -1.36 0.00 0.00 55.97 55.35 1p4r s LYS 266 Cb -0.11 -0.10 -0.01 0.00 -1.68 0.00 0.00 37.83 35.92 1p4r s LYS 266 CO 0.11 -0.25 0.72 0.72 -0.76 0.00 0.00 175.35 175.88 1p4r n HIS 267 N 5.00 -1.93 -3.15 3.18 8.25 -1.26 -2.22 115.22 123.10 1p4r n HIS 267 Ca -0.12 0.66 -0.22 0.00 -0.26 0.00 0.00 57.72 57.78 1p4r n HIS 267 Cb 0.51 -3.84 0.01 0.00 1.12 0.00 0.00 29.99 27.78 1p4r n HIS 267 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1p4r n VAL 268 N -4.14 -1.28 -3.84 1.59 0.31 -1.26 -4.92 118.33 104.78 1p4r n VAL 268 Ca -0.19 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1p4r n VAL 268 Cb 0.63 -2.37 -0.10 0.00 -0.91 0.00 0.00 33.84 31.10 1p4r n VAL 268 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1p4r s SER 269 N -2.64 -0.04 -0.13 4.52 0.01 -0.94 -4.12 113.70 110.37 1p4r s SER 269 Ca 0.32 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 1p4r s SER 269 Cb -0.16 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1p4r s SER 269 CO 0.40 -0.34 0.94 -2.16 0.41 0.00 0.00 173.24 172.49 1p4r s PRO 270 N -1.15 4.38 0.07 12.44 0.04 -1.26 -0.93 135.00 148.59 1p4r s PRO 270 Ca -0.12 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.26 1p4r s PRO 270 Cb -0.06 -3.55 -0.22 0.00 0.04 0.00 0.00 34.50 30.71 1p4r s PRO 270 CO 0.02 -0.31 1.10 0.00 0.04 0.00 0.00 177.00 177.85 1p4r h ALA 271 N 7.16 0.47 -2.49 8.56 0.00 0.12 -3.46 119.26 129.62 1p4r h ALA 271 Ca -0.30 -1.07 -0.07 0.00 0.00 0.00 0.00 54.91 53.46 1p4r h ALA 271 Cb 1.14 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 1p4r h ALA 271 CO 0.85 1.34 -0.06 0.20 0.00 0.00 0.00 179.25 181.58 1p4r s GLY 272 N -4.82 -0.32 -0.27 0.00 0.00 -1.11 -4.42 107.32 96.37 1p4r s GLY 272 Ca -0.01 0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.92 1p4r s GLY 272 CO 0.82 0.17 0.75 0.00 0.00 0.00 0.00 173.10 174.84 1p4r s ALA 273 N -2.33 -1.83 0.13 3.20 0.00 -1.26 0.22 121.76 119.89 1p4r s ALA 273 Ca -0.06 2.11 -0.25 0.00 0.00 0.00 0.00 51.96 53.76 1p4r s ALA 273 Cb -0.01 -1.27 0.07 0.00 0.00 0.00 0.00 23.12 21.90 1p4r s ALA 273 CO -0.01 -0.34 0.81 0.00 0.00 0.00 0.00 175.76 176.22 1p4r s ALA 274 N 0.66 -1.61 0.17 0.00 0.00 0.10 -0.16 121.76 120.92 1p4r s ALA 274 Ca -0.02 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1p4r s ALA 274 Cb -0.05 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1p4r s ALA 274 CO -0.05 -0.87 0.31 0.14 0.00 0.00 0.00 175.76 175.29 1p4r s VAL 275 N -3.46 5.29 0.00 0.00 -7.23 -0.82 -0.93 120.40 113.25 1p4r s VAL 275 Ca 0.07 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1p4r s VAL 275 Cb -0.02 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1p4r s VAL 275 CO -0.04 -0.12 0.42 0.61 -0.31 0.00 0.00 175.10 175.66 1p4r n GLY 276 N -0.62 0.81 3.71 2.32 0.00 0.61 -4.37 105.19 107.66 1p4r n GLY 276 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1p4r n GLY 276 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p4r n ILE 277 N 1.34 0.18 -1.65 -0.61 5.41 -1.26 -4.51 119.36 118.26 1p4r n ILE 277 Ca 0.00 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.28 1p4r n ILE 277 Cb 0.14 -1.91 -0.00 0.00 -0.71 0.00 0.00 39.64 37.16 1p4r n ILE 277 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1p4r n PRO 278 N 3.58 1.68 -3.38 0.38 -0.02 -1.26 -4.74 135.00 131.23 1p4r n PRO 278 Ca 0.15 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1p4r n PRO 278 Cb 0.34 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1p4r n PRO 278 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p4r s LEU 279 N -0.63 4.42 0.00 2.45 1.02 -1.26 -5.09 118.68 119.58 1p4r s LEU 279 Ca 0.59 1.08 -0.17 0.00 0.02 0.00 0.00 54.13 55.65 1p4r s LEU 279 Cb -0.59 -3.02 0.25 0.00 0.02 0.00 0.00 46.19 42.86 1p4r s LEU 279 CO 0.59 0.19 0.99 -1.54 0.02 0.00 0.00 176.35 176.61 1p4r n SER 280 N 1.24 -1.61 0.04 2.29 3.41 -1.26 -4.77 113.62 112.95 1p4r n SER 280 Ca -0.08 -1.14 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 1p4r n SER 280 Cb 0.52 -0.88 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1p4r n SER 280 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1p4r h GLU 281 N 0.00 0.48 -0.06 4.33 5.08 -1.98 -1.94 114.58 120.48 1p4r h GLU 281 Ca -0.36 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.57 1p4r h GLU 281 Cb 1.08 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1p4r h GLU 281 CO 0.24 1.03 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.76 1p4r h ASP 282 N 0.32 0.17 -0.70 1.42 3.32 -1.99 -2.27 116.42 116.70 1p4r h ASP 282 Ca -0.04 -0.52 0.13 0.00 0.02 0.00 0.00 57.03 56.61 1p4r h ASP 282 Cb 1.34 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1p4r h ASP 282 CO 0.13 0.66 0.47 -0.33 -1.72 0.00 0.00 179.24 178.46 1p4r h GLU 283 N -0.31 0.43 -0.22 3.56 5.08 -1.91 1.12 114.58 122.33 1p4r h GLU 283 Ca 0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1p4r h GLU 283 Cb 0.63 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1p4r h GLU 283 CO 0.02 0.28 -0.11 0.00 -1.00 0.00 0.00 179.01 178.20 1p4r h ALA 284 N 1.66 1.41 -0.02 3.43 0.00 -1.08 -1.77 119.26 122.88 1p4r h ALA 284 Ca 0.34 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1p4r h ALA 284 Cb 0.70 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1p4r h ALA 284 CO -0.11 0.41 -0.97 0.87 0.00 0.00 0.00 179.25 179.46 1p4r h LYS 285 N 0.33 0.70 -0.51 0.00 1.57 0.17 -0.23 116.57 118.60 1p4r h LYS 285 Ca 0.07 -0.72 -0.01 0.00 -1.87 0.00 0.00 60.65 58.12 1p4r h LYS 285 Cb 0.41 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1p4r h LYS 285 CO 0.02 1.30 0.27 0.28 -0.57 0.00 0.00 179.45 180.76 1p4r h VAL 286 N 0.38 1.16 -0.21 0.50 2.07 -0.37 -1.37 116.25 118.40 1p4r h VAL 286 Ca -0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1p4r h VAL 286 Cb 1.62 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1p4r h VAL 286 CO 0.19 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.96 1p4r n MET 288 N 0.26 -5.68 -0.49 0.00 0.00 -0.52 -4.86 117.12 105.83 1p4r n MET 288 Ca 0.14 0.69 0.04 0.00 0.00 0.00 0.00 57.70 58.57 1p4r n MET 288 Cb 0.28 -5.59 0.06 0.00 0.00 0.00 0.00 33.22 27.97 1p4r n MET 288 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1p4r n VAL 289 N -4.63 0.75 -0.32 2.03 0.24 -0.17 -4.82 118.33 111.41 1p4r n VAL 289 Ca 0.00 -1.06 -0.04 0.00 -2.04 0.00 0.00 64.34 61.20 1p4r n VAL 289 Cb 0.55 0.27 0.08 0.00 -1.47 0.00 0.00 33.84 33.28 1p4r n VAL 289 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1p4r h TYR 290 N 0.19 1.17 -0.07 6.34 3.20 -1.69 -1.59 116.97 124.51 1p4r h TYR 290 Ca -0.03 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1p4r h TYR 290 Cb 1.30 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1p4r h TYR 290 CO 0.13 0.80 0.13 0.38 -1.64 0.00 0.00 178.16 177.95 1p4r h ASP 291 N 1.20 0.00 -0.01 -2.11 2.03 -1.88 -0.36 116.42 115.28 1p4r h ASP 291 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 1p4r h ASP 291 Cb -0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1p4r h ASP 291 CO -0.05 0.00 -0.24 0.18 -1.03 0.00 0.00 179.24 178.10 1p4r n LEU 292 N -3.49 1.82 -0.10 0.15 4.77 -0.75 -4.77 117.00 114.64 1p4r n LEU 292 Ca -0.01 -0.83 0.01 0.00 -0.03 0.00 0.00 56.01 55.14 1p4r n LEU 292 Cb 0.22 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1p4r n LEU 292 CO 0.23 0.34 0.16 0.00 -1.33 0.00 0.00 177.39 176.80 1p4r n TYR 293 N 0.17 0.05 -0.09 -1.77 9.36 -0.15 0.07 117.16 124.80 1p4r n TYR 293 Ca 0.07 0.32 0.09 0.00 3.32 0.00 0.00 57.90 61.70 1p4r n TYR 293 Cb 0.36 -0.62 0.44 0.00 -0.63 0.00 0.00 39.34 38.89 1p4r n TYR 293 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1p4r h LYS 294 N 0.00 0.52 -0.41 2.98 6.56 -1.86 -2.86 116.57 121.50 1p4r h LYS 294 Ca 0.11 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1p4r h LYS 294 Cb 0.17 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1p4r h LYS 294 CO -0.26 0.34 0.00 0.25 -2.06 0.00 0.00 179.45 177.72 1p4r n THR 295 N -4.48 0.54 -2.00 -0.16 -2.24 0.11 -4.97 114.28 101.09 1p4r n THR 295 Ca 0.09 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 1p4r n THR 295 Cb 0.27 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1p4r n THR 295 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p4r s LEU 296 N -1.18 4.34 0.42 3.22 1.43 -1.08 -4.74 118.68 121.08 1p4r s LEU 296 Ca 0.33 2.31 0.08 0.00 -1.03 0.00 0.00 54.13 55.82 1p4r s LEU 296 Cb 0.18 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 1p4r s LEU 296 CO 0.24 -0.89 0.49 0.42 0.23 0.00 0.00 176.35 176.85 1p4r s THR 297 N 3.40 2.87 0.30 5.49 -4.23 -1.26 -4.91 115.64 117.30 1p4r s THR 297 Ca 0.73 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1p4r s THR 297 Cb -0.35 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 70.78 1p4r s THR 297 CO 0.30 -0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.59 1p4r h PRO 298 N 0.79 0.93 -0.29 3.99 0.11 -1.96 0.11 132.00 135.68 1p4r h PRO 298 Ca -0.41 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 1p4r h PRO 298 Cb 1.27 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1p4r h PRO 298 CO 0.50 0.62 -0.50 0.97 -0.21 0.00 0.00 178.00 179.37 1p4r h ILE 299 N 0.96 1.28 0.00 4.15 6.09 -1.89 -1.99 117.51 126.11 1p4r h ILE 299 Ca 0.46 -1.69 -0.08 0.00 -1.37 0.00 0.00 64.86 62.18 1p4r h ILE 299 Cb 0.45 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 1p4r h ILE 299 CO -0.22 0.55 -0.40 0.77 -3.07 0.00 0.00 178.15 175.78 1p4r h SER 300 N 0.64 0.00 -0.02 2.19 4.64 -1.77 -2.78 113.55 116.44 1p4r h SER 300 Ca 0.03 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 1p4r h SER 300 Cb 1.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1p4r h SER 300 CO 0.11 0.40 -0.83 0.00 -0.87 0.00 0.00 176.83 175.64 1p4r h ALA 301 N 1.60 0.33 0.31 5.18 0.00 -0.91 -2.28 119.26 123.49 1p4r h ALA 301 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1p4r h ALA 301 Cb 1.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1p4r h ALA 301 CO 0.05 0.71 -0.32 0.00 0.00 0.00 0.00 179.25 179.69 1p4r h ALA 302 N 0.60 -0.67 -0.45 0.00 0.00 -1.20 -1.37 119.26 116.18 1p4r h ALA 302 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1p4r h ALA 302 Cb 1.46 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1p4r h ALA 302 CO 0.16 -0.91 0.17 -0.92 0.00 0.00 0.00 179.25 177.76 1p4r h TYR 303 N -0.66 0.64 -0.46 0.00 3.20 -1.55 0.25 116.97 118.39 1p4r h TYR 303 Ca -0.01 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 1p4r h TYR 303 Cb 0.60 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1p4r h TYR 303 CO -0.19 0.51 0.13 0.00 -1.64 0.00 0.00 178.16 176.97 1p4r h ALA 304 N 1.55 1.37 0.06 1.82 0.00 -1.03 0.85 119.26 123.89 1p4r h ALA 304 Ca 0.16 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1p4r h ALA 304 Cb 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1p4r h ALA 304 CO -0.01 0.46 -0.83 0.00 0.00 0.00 0.00 179.25 178.86 1p4r h ARG 305 N 0.67 0.45 0.39 0.00 3.08 -0.58 -0.51 114.38 117.88 1p4r h ARG 305 Ca 0.15 -0.57 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1p4r h ARG 305 Cb 0.21 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1p4r h ARG 305 CO -0.01 1.22 -0.32 0.00 -1.07 0.00 0.00 179.97 179.79 1p4r h ALA 306 N 0.26 -0.73 0.00 0.04 0.00 0.11 -1.80 119.26 117.15 1p4r h ALA 306 Ca -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1p4r h ALA 306 Cb 1.56 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1p4r h ALA 306 CO 0.16 -0.94 -0.20 -0.09 0.00 0.00 0.00 179.25 178.18 1p4r h ARG 307 N -0.72 0.00 0.00 0.00 2.43 0.60 -3.17 114.38 113.52 1p4r h ARG 307 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1p4r h ARG 307 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1p4r h ARG 307 CO -0.02 0.20 0.00 0.78 -1.51 0.00 0.00 179.97 179.43 1p4r h GLY 308 N 1.78 0.00 0.87 2.80 0.00 -0.35 -3.20 103.07 104.97 1p4r h GLY 308 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1p4r h GLY 308 CO 0.03 0.00 0.35 0.00 0.00 0.00 0.00 176.54 176.92 1p4r h ALA 309 N 2.28 0.75 -2.19 3.60 0.00 -1.32 -3.37 119.26 119.01 1p4r h ALA 309 Ca 0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.43 1p4r h ALA 309 Cb 0.73 -0.17 -0.34 0.00 0.00 0.00 0.00 17.79 18.00 1p4r h ALA 309 CO 0.00 0.08 -0.77 0.34 0.00 0.00 0.00 179.25 178.90 1p4r s ASP 310 N -5.64 1.78 0.28 0.00 -1.08 -1.24 -4.69 116.67 106.09 1p4r s ASP 310 Ca -0.13 -1.96 0.01 0.00 -0.52 0.00 0.00 52.55 49.94 1p4r s ASP 310 Cb 0.14 0.15 0.42 0.00 -1.46 0.00 0.00 42.92 42.16 1p4r s ASP 310 CO 0.75 -0.26 1.77 0.03 0.52 0.00 0.00 175.17 177.98 1p4r h ARG 311 N 6.83 0.63 0.15 4.34 3.08 -1.72 -0.21 114.38 127.48 1p4r h ARG 311 Ca 0.08 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1p4r h ARG 311 Cb 1.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1p4r h ARG 311 CO 0.23 0.71 -0.07 1.98 -1.07 0.00 0.00 179.97 181.75 1p4r h MET 312 N 0.58 -0.19 0.00 0.04 4.05 -1.89 -3.19 114.93 114.33 1p4r h MET 312 Ca 0.11 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1p4r h MET 312 Cb 0.51 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1p4r h MET 312 CO 0.03 -0.02 -0.50 0.77 0.23 0.00 0.00 176.91 177.42 1p4r h SER 313 N -0.32 0.00 0.00 1.39 0.02 -1.91 -3.04 113.55 109.69 1p4r h SER 313 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1p4r h SER 313 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1p4r h SER 313 CO 0.03 0.50 0.00 -1.20 -1.14 0.00 0.00 176.83 175.02 1p4r n SER 314 N -3.68 0.00 -4.60 3.07 7.64 -0.11 -4.72 113.62 111.23 1p4r n SER 314 Ca -0.01 -0.54 -0.43 0.00 1.01 0.00 0.00 58.87 58.90 1p4r n SER 314 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 1p4r n SER 314 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1p4r n PHE 315 N -0.91 2.03 -2.11 1.43 -0.00 -1.15 -0.72 117.46 116.03 1p4r n PHE 315 Ca 0.09 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.45 57.36 1p4r n PHE 315 Cb 0.04 -2.73 -0.00 0.00 -0.00 0.00 0.00 39.48 36.79 1p4r n PHE 315 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1p4r n GLY 316 N 5.61 0.29 3.83 7.13 0.00 0.13 -4.96 105.19 117.21 1p4r n GLY 316 Ca 0.29 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1p4r n GLY 316 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1p4r s ASP 317 N -2.88 5.43 -0.18 1.61 -4.77 0.10 -3.92 116.67 112.06 1p4r s ASP 317 Ca 0.01 1.54 -0.06 0.00 -3.30 0.00 0.00 52.55 50.75 1p4r s ASP 317 Cb -0.00 -2.43 -0.03 0.00 -1.09 0.00 0.00 42.92 39.36 1p4r s ASP 317 CO 0.01 -1.40 0.02 0.12 0.70 0.00 0.00 175.17 174.61 1p4r s PHE 318 N -3.08 3.11 -0.01 2.11 2.19 -0.05 -1.21 117.98 121.05 1p4r s PHE 318 Ca 0.58 -0.20 -0.08 0.00 0.33 0.00 0.00 56.93 57.56 1p4r s PHE 318 Cb -0.13 -2.05 -0.05 0.00 -1.31 0.00 0.00 43.02 39.48 1p4r s PHE 318 CO 0.55 -0.03 0.27 0.08 1.83 0.00 0.00 175.22 177.92 1p4r s VAL 319 N 0.59 5.29 -0.06 3.12 1.01 0.56 -0.82 120.40 130.10 1p4r s VAL 319 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1p4r s VAL 319 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1p4r s VAL 319 CO 0.02 0.42 -0.10 0.00 0.00 0.00 0.00 175.10 175.43 1p4r s ALA 320 N -1.25 1.08 -0.04 5.51 0.00 -0.96 0.56 121.76 126.66 1p4r s ALA 320 Ca 0.26 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1p4r s ALA 320 Cb -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1p4r s ALA 320 CO 0.14 0.09 -0.20 -0.51 0.00 0.00 0.00 175.76 175.28 1p4r s LEU 321 N 0.69 1.99 0.15 0.00 1.43 -0.82 -1.32 118.68 120.80 1p4r s LEU 321 Ca -0.13 -0.39 0.27 0.00 -1.03 0.00 0.00 54.13 52.84 1p4r s LEU 321 Cb -0.15 -1.08 0.88 0.00 0.03 0.00 0.00 46.19 45.86 1p4r s LEU 321 CO 0.03 0.20 1.78 -1.54 0.23 0.00 0.00 176.35 177.05 1p4r n SER 322 N 2.93 0.61 -4.39 2.29 3.41 0.78 -4.09 113.62 115.16 1p4r n SER 322 Ca -0.17 0.51 -0.20 0.00 -0.26 0.00 0.00 58.87 58.76 1p4r n SER 322 Cb 0.53 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 1p4r n SER 322 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1p4r s ASP 323 N -4.13 2.45 0.40 4.04 1.11 -1.26 -4.76 116.67 114.52 1p4r s ASP 323 Ca 0.11 -1.19 -0.24 0.00 0.18 0.00 0.00 52.55 51.41 1p4r s ASP 323 Cb 0.14 -0.11 -0.12 0.00 1.07 0.00 0.00 42.92 43.90 1p4r s ASP 323 CO 0.59 -0.39 0.86 0.52 1.18 0.00 0.00 175.17 177.93 1p4r n VAL 324 N -0.52 2.21 -2.79 -1.27 0.31 -1.26 -4.39 118.33 110.61 1p4r n VAL 324 Ca -0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.35 1p4r n VAL 324 Cb 0.63 -0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1p4r n VAL 324 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1p4r n ASP 326 N 6.20 0.11 -0.01 0.00 5.68 -1.26 -1.59 116.55 125.68 1p4r n ASP 326 Ca 0.08 -1.09 -0.13 0.00 -0.50 0.00 0.00 54.79 53.15 1p4r n ASP 326 Cb 0.47 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.29 1p4r n ASP 326 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1p4r h VAL 327 N -0.44 1.35 -0.97 2.12 2.07 -1.95 -2.55 116.25 115.87 1p4r h VAL 327 Ca -0.03 -1.32 0.17 0.00 0.82 0.00 0.00 66.70 66.35 1p4r h VAL 327 Cb 0.10 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 1p4r h VAL 327 CO 0.03 0.33 0.61 -0.65 0.02 0.00 0.00 177.57 177.91 1p4r h PRO 328 N -0.64 0.70 -0.25 1.57 0.11 -1.97 0.21 132.00 131.74 1p4r h PRO 328 Ca -0.00 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 1p4r h PRO 328 Cb 0.58 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1p4r h PRO 328 CO 0.01 0.47 -0.26 1.15 -0.21 0.00 0.00 178.00 179.15 1p4r h THR 329 N 0.73 1.31 -0.64 -1.15 2.02 -1.91 -2.20 112.91 111.07 1p4r h THR 329 Ca 0.53 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1p4r h THR 329 Cb 0.86 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1p4r h THR 329 CO -0.29 0.45 0.24 0.00 0.37 0.00 0.00 175.52 176.29 1p4r h ALA 330 N 0.68 1.22 -0.37 6.16 0.00 -0.70 -1.65 119.26 124.60 1p4r h ALA 330 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1p4r h ALA 330 Cb 0.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1p4r h ALA 330 CO 0.06 0.56 -0.20 0.87 0.00 0.00 0.00 179.25 180.55 1p4r h LYS 331 N 0.93 0.71 -0.57 0.00 1.57 -0.54 0.16 116.57 118.83 1p4r h LYS 331 Ca 0.22 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1p4r h LYS 331 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1p4r h LYS 331 CO -0.02 0.86 0.02 0.82 -0.57 0.00 0.00 179.45 180.56 1p4r h ILE 332 N 0.63 1.26 -0.24 1.86 2.04 -0.97 -3.12 117.51 118.97 1p4r h ILE 332 Ca 0.09 -1.11 -0.19 0.00 1.00 0.00 0.00 64.86 64.65 1p4r h ILE 332 Cb 0.68 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1p4r h ILE 332 CO 0.05 0.40 -0.61 0.40 0.00 0.00 0.00 178.15 178.39 1p4r h ILE 333 N 0.89 1.28 -0.72 -0.67 2.04 -1.07 -3.27 117.51 115.99 1p4r h ILE 333 Ca 0.16 -1.80 0.16 0.00 1.00 0.00 0.00 64.86 64.38 1p4r h ILE 333 Cb 0.53 1.73 -0.12 0.00 -0.74 0.00 0.00 36.82 38.22 1p4r h ILE 333 CO 0.03 0.58 0.07 -1.28 0.00 0.00 0.00 178.15 177.55 1p4r h SER 334 N 0.62 -0.19 0.33 1.72 0.87 -0.90 -1.36 113.55 114.63 1p4r h SER 334 Ca -0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1p4r h SER 334 Cb 1.22 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1p4r h SER 334 CO 0.13 -0.12 -0.04 -2.11 -0.53 0.00 0.00 176.83 174.17 1p4r n ARG 335 N -5.26 0.72 -3.61 2.24 1.85 -1.22 -4.86 116.66 106.52 1p4r n ARG 335 Ca 0.13 -0.12 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1p4r n ARG 335 Cb 0.45 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.34 1p4r n ARG 335 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1p4r s GLU 336 N -2.36 2.71 -0.38 2.89 0.41 -0.51 -4.86 118.70 116.60 1p4r s GLU 336 Ca 0.34 -1.34 -0.20 0.00 -0.41 0.00 0.00 54.97 53.36 1p4r s GLU 336 Cb 0.21 -2.51 0.01 0.00 -1.78 0.00 0.00 34.13 30.06 1p4r s GLU 336 CO 0.44 -0.04 0.61 0.08 -0.49 0.00 0.00 175.26 175.86 1p4r s VAL 337 N -2.35 4.89 0.01 2.63 1.01 -1.26 -4.98 120.40 120.35 1p4r s VAL 337 Ca 0.45 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1p4r s VAL 337 Cb -0.06 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1p4r s VAL 337 CO 0.28 -0.39 -0.03 -0.55 0.00 0.00 0.00 175.10 174.41 1p4r s SER 338 N 1.86 0.25 -0.11 3.32 0.15 -1.26 0.19 113.70 118.10 1p4r s SER 338 Ca 0.23 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.67 1p4r s SER 338 Cb -0.15 0.04 -0.24 0.00 -1.71 0.00 0.00 66.02 63.96 1p4r s SER 338 CO 0.16 -0.13 0.42 0.47 1.20 0.00 0.00 173.24 175.35 1p4r n ASP 339 N 2.31 1.28 -3.49 5.45 8.00 -0.35 -4.83 116.55 124.92 1p4r n ASP 339 Ca -0.18 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.53 1p4r n ASP 339 Cb 0.57 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1p4r n ASP 339 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p4r s GLY 340 N -5.43 -0.01 -0.15 0.44 0.00 -1.21 -2.28 107.32 98.67 1p4r s GLY 340 Ca -0.14 -0.16 -0.19 0.00 0.00 0.00 0.00 44.72 44.22 1p4r s GLY 340 CO 0.79 1.30 0.51 -1.50 0.00 0.00 0.00 173.10 174.20 1p4r s ILE 341 N -2.60 0.01 -0.03 0.90 2.07 0.10 -0.32 121.20 121.33 1p4r s ILE 341 Ca 0.18 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 1p4r s ILE 341 Cb -0.02 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.81 1p4r s ILE 341 CO 0.04 -0.03 -0.19 -0.51 -1.91 0.00 0.00 174.94 172.34 1p4r s ILE 342 N -0.12 1.57 0.21 2.00 2.07 0.19 -0.10 121.20 127.02 1p4r s ILE 342 Ca -0.03 -0.82 -0.16 0.00 -1.41 0.00 0.00 60.65 58.23 1p4r s ILE 342 Cb -0.03 -1.32 0.02 0.00 0.13 0.00 0.00 42.46 41.25 1p4r s ILE 342 CO 0.02 0.45 0.51 0.00 -1.91 0.00 0.00 174.94 174.01 1p4r s ALA 343 N -0.20 -0.77 -0.30 1.50 0.00 -0.52 -1.94 121.76 119.52 1p4r s ALA 343 Ca 0.01 -0.39 0.27 0.00 0.00 0.00 0.00 51.96 51.86 1p4r s ALA 343 Cb -0.10 0.89 1.05 0.00 0.00 0.00 0.00 23.12 24.95 1p4r s ALA 343 CO 0.01 -0.82 1.81 -1.00 0.00 0.00 0.00 175.76 175.76 1p4r h PRO 344 N 2.22 0.00 -1.21 0.00 0.13 -1.73 0.60 132.00 132.00 1p4r h PRO 344 Ca -0.28 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.26 1p4r h PRO 344 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1p4r h PRO 344 CO 0.37 0.00 1.00 0.20 -0.23 0.00 0.00 178.00 179.34 1p4r s GLY 345 N -3.82 -0.45 -0.00 1.56 0.00 -1.26 -4.57 107.32 98.77 1p4r s GLY 345 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1p4r s GLY 345 CO 0.49 1.57 -0.00 -0.19 0.00 0.00 0.00 173.10 174.97 1p4r s TYR 346 N -2.01 0.08 0.30 1.90 1.51 -1.26 -0.53 117.35 117.33 1p4r s TYR 346 Ca 0.19 0.00 -0.29 0.00 -1.01 0.00 0.00 57.07 55.96 1p4r s TYR 346 Cb 0.06 -0.08 -0.10 0.00 -0.11 0.00 0.00 41.96 41.73 1p4r s TYR 346 CO -0.06 -0.02 1.19 -1.21 -1.11 0.00 0.00 175.55 174.34 1p4r s GLU 347 N 0.15 4.52 0.23 -0.62 2.02 -0.62 -4.76 118.70 119.62 1p4r s GLU 347 Ca -0.01 1.97 -0.13 0.00 0.02 0.00 0.00 54.97 56.83 1p4r s GLU 347 Cb -0.02 -3.14 0.30 0.00 0.10 0.00 0.00 34.13 31.36 1p4r s GLU 347 CO -0.00 0.05 1.41 -0.85 0.02 0.00 0.00 175.26 175.88 1p4r n GLU 348 N 1.04 -0.16 -0.21 1.61 -0.00 -1.26 0.28 120.64 121.94 1p4r n GLU 348 Ca -0.01 1.40 -0.07 0.00 -0.00 0.00 0.00 57.16 58.49 1p4r n GLU 348 Cb 0.44 -2.09 0.03 0.00 -0.00 0.00 0.00 31.44 29.82 1p4r n GLU 348 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1p4r h GLU 349 N 0.00 0.83 0.02 3.44 4.81 -1.96 -2.35 114.58 119.38 1p4r h GLU 349 Ca 0.36 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1p4r h GLU 349 Cb 0.59 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1p4r h GLU 349 CO -0.91 0.65 -0.07 0.00 -0.73 0.00 0.00 179.01 177.95 1p4r h ALA 350 N 1.13 -0.10 -0.86 2.92 0.00 -0.45 -1.12 119.26 120.79 1p4r h ALA 350 Ca 0.20 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1p4r h ALA 350 Cb 0.08 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1p4r h ALA 350 CO -0.03 -0.57 0.55 1.25 0.00 0.00 0.00 179.25 180.45 1p4r h LEU 351 N -0.14 0.67 0.01 0.00 5.85 -0.89 -0.00 115.31 120.81 1p4r h LEU 351 Ca 0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1p4r h LEU 351 Cb 0.16 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1p4r h LEU 351 CO -0.06 0.37 -0.00 0.74 -0.34 0.00 0.00 178.44 179.15 1p4r h THR 352 N 0.73 1.25 0.46 1.05 2.02 -0.83 -1.14 112.91 116.44 1p4r h THR 352 Ca 0.41 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1p4r h THR 352 Cb 0.59 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1p4r h THR 352 CO -0.18 0.20 -0.22 0.40 0.37 0.00 0.00 175.52 176.09 1p4r h ILE 353 N -0.34 0.55 -0.93 3.11 2.04 -0.64 -2.91 117.51 118.39 1p4r h ILE 353 Ca -0.00 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1p4r h ILE 353 Cb 0.33 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1p4r h ILE 353 CO 0.00 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.65 1p4r h LEU 354 N -0.62 0.82 -1.57 1.44 3.38 -1.05 -1.48 115.31 116.24 1p4r h LEU 354 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1p4r h LEU 354 Cb 0.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1p4r h LEU 354 CO 0.10 0.44 0.00 0.28 0.09 0.00 0.00 178.44 179.35 1p4r h SER 355 N 0.90 0.00 1.11 -0.43 0.02 -1.00 -2.25 113.55 111.90 1p4r h SER 355 Ca 0.46 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.25 1p4r h SER 355 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1p4r h SER 355 CO -0.27 0.00 -0.94 0.11 -1.14 0.00 0.00 176.83 174.60 1p4r h LYS 356 N 0.00 0.00 -6.86 3.45 1.57 -1.19 -3.23 116.57 110.31 1p4r h LYS 356 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1p4r h LYS 356 Cb 0.12 0.00 0.19 0.00 0.08 0.00 0.00 32.23 32.62 1p4r h LYS 356 CO 0.00 0.54 -0.20 1.63 -0.57 0.00 0.00 179.45 180.85 1p4r n LYS 357 N -3.14 0.14 -4.21 3.15 5.02 -0.85 -1.72 118.16 116.55 1p4r n LYS 357 Ca -0.03 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 1p4r n LYS 357 Cb 0.83 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1p4r n LYS 357 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1p4r n LYS 358 N -1.76 -1.92 -2.16 1.97 5.02 -1.26 -0.18 118.16 117.88 1p4r n LYS 358 Ca 0.10 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.46 1p4r n LYS 358 Cb 0.51 -4.17 -0.02 0.00 -0.02 0.00 0.00 35.03 31.33 1p4r n LYS 358 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1p4r n ASN 359 N -2.85 -4.93 -0.00 4.39 3.02 -1.19 -1.26 115.26 112.44 1p4r n ASN 359 Ca -0.24 0.07 -0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1p4r n ASN 359 Cb 0.65 -4.01 -0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1p4r n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4r n GLY 360 N -1.00 0.48 0.97 7.41 0.00 0.75 -4.88 105.19 108.92 1p4r n GLY 360 Ca -0.19 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1p4r n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p4r n ASN 361 N -0.00 3.09 -4.70 1.61 3.02 -0.39 -4.38 115.26 113.51 1p4r n ASN 361 Ca -0.00 -1.92 -0.43 0.00 -0.03 0.00 0.00 54.58 52.20 1p4r n ASN 361 Cb 0.02 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1p4r n ASN 361 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p4r n TYR 362 N 1.26 2.57 -2.53 3.10 9.36 -1.00 -4.38 117.16 125.54 1p4r n TYR 362 Ca 0.16 0.19 -0.43 0.00 3.32 0.00 0.00 57.90 61.14 1p4r n TYR 362 Cb 0.55 -2.60 -0.02 0.00 -0.63 0.00 0.00 39.34 36.64 1p4r n TYR 362 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p4r s VAL 364 N 3.79 2.10 -0.07 0.00 1.01 0.01 0.01 120.40 127.25 1p4r s VAL 364 Ca 0.50 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1p4r s VAL 364 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1p4r s VAL 364 CO 0.16 0.01 -0.08 -0.76 0.00 0.00 0.00 175.10 174.44 1p4r s LEU 365 N 1.14 3.11 -0.23 3.92 1.43 0.85 -0.87 118.68 128.04 1p4r s LEU 365 Ca -0.08 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1p4r s LEU 365 Cb -0.19 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1p4r s LEU 365 CO -0.06 0.34 -0.02 -1.58 0.23 0.00 0.00 176.35 175.27 1p4r s GLN 366 N -0.70 3.36 -0.12 1.70 0.74 -0.27 -1.44 119.66 122.93 1p4r s GLN 366 Ca 0.11 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 1p4r s GLN 366 Cb -0.11 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 1p4r s GLN 366 CO 0.02 -0.23 0.11 1.41 -0.55 0.00 0.00 175.29 176.05 1p4r s MET 367 N 1.49 3.40 -0.28 1.67 -2.45 0.20 -1.29 119.30 122.04 1p4r s MET 367 Ca 0.05 -0.19 -0.29 0.00 -1.25 0.00 0.00 55.69 54.02 1p4r s MET 367 Cb -0.15 -3.13 0.01 0.00 1.25 0.00 0.00 34.83 32.82 1p4r s MET 367 CO -0.02 0.74 1.08 0.34 1.05 0.00 0.00 175.02 178.21 1p4r s ASP 368 N -0.93 6.98 0.00 1.11 -1.08 0.46 -4.19 116.67 119.03 1p4r s ASP 368 Ca 0.14 1.20 0.17 0.00 -0.52 0.00 0.00 52.55 53.54 1p4r s ASP 368 Cb -0.12 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.53 1p4r s ASP 368 CO 0.03 -0.81 1.54 0.00 0.52 0.00 0.00 175.17 176.45 1p4r n GLN 369 N 6.68 0.01 0.03 4.34 10.64 -1.26 -2.40 117.38 135.43 1p4r n GLN 369 Ca 0.12 0.21 -0.05 0.00 -1.83 0.00 0.00 57.00 55.45 1p4r n GLN 369 Cb 0.47 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.25 1p4r n GLN 369 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1p4r h SER 370 N 0.00 0.00 -2.19 2.61 0.02 -1.99 -3.47 113.55 108.54 1p4r h SER 370 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1p4r h SER 370 Cb 0.29 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.92 1p4r h SER 370 CO 0.00 0.83 0.24 0.00 -1.14 0.00 0.00 176.83 176.76 1p4r n TYR 371 N -3.11 1.34 -3.86 3.45 9.36 -1.01 -5.00 117.16 118.35 1p4r n TYR 371 Ca -0.08 0.67 -0.17 0.00 3.32 0.00 0.00 57.90 61.64 1p4r n TYR 371 Cb 0.93 -2.28 -0.16 0.00 -0.63 0.00 0.00 39.34 37.20 1p4r n TYR 371 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1p4r s LYS 372 N -0.81 0.18 0.67 2.98 1.02 -1.26 -5.06 119.74 117.46 1p4r s LYS 372 Ca 0.67 0.13 -0.14 0.00 0.02 0.00 0.00 55.97 56.66 1p4r s LYS 372 Cb -0.78 -0.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 1p4r s LYS 372 CO 0.55 -0.17 1.08 -1.25 -0.92 0.00 0.00 175.35 174.64 1p4r s PRO 373 N 1.16 2.85 0.50 -1.68 0.04 -1.26 -5.04 135.00 131.57 1p4r s PRO 373 Ca -0.08 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 1p4r s PRO 373 Cb -0.13 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1p4r s PRO 373 CO -0.02 -1.19 1.00 -0.51 0.04 0.00 0.00 177.00 176.32 1p4r s ASP 374 N -3.02 6.48 0.26 6.66 1.01 -1.26 -4.97 116.67 121.84 1p4r s ASP 374 Ca 0.63 1.72 -0.03 0.00 0.71 0.00 0.00 52.55 55.58 1p4r s ASP 374 Cb -0.17 -2.53 0.43 0.00 1.01 0.00 0.00 42.92 41.65 1p4r s ASP 374 CO 0.46 -0.68 1.84 -0.33 0.21 0.00 0.00 175.17 176.66 1p4r h GLU 375 N 1.18 0.93 -6.35 8.23 5.08 -1.96 -3.44 114.58 118.25 1p4r h GLU 375 Ca -0.48 -0.06 -0.55 0.00 -1.00 0.00 0.00 59.36 57.27 1p4r h GLU 375 Cb 1.20 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1p4r h GLU 375 CO 0.60 0.62 -0.05 -0.80 -1.00 0.00 0.00 179.01 178.38 1p4r s ASN 376 N -5.72 6.89 0.01 1.42 0.01 -1.26 0.10 114.94 116.39 1p4r s ASN 376 Ca -0.12 1.15 0.01 0.00 -0.71 0.00 0.00 52.86 53.19 1p4r s ASN 376 Cb 0.20 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 1p4r s ASN 376 CO 0.80 0.12 -0.04 -1.83 -1.51 0.00 0.00 177.10 174.64 1p4r s GLU 377 N -1.85 0.29 0.05 -0.60 -1.05 -0.58 -4.87 118.70 110.10 1p4r s GLU 377 Ca 0.37 -0.24 0.08 0.00 -0.15 0.00 0.00 54.97 55.03 1p4r s GLU 377 Cb -0.16 -0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.29 1p4r s GLU 377 CO 0.19 0.05 -0.22 0.54 0.95 0.00 0.00 175.26 176.78 1p4r s VAL 378 N -0.37 1.75 0.02 1.83 0.11 -1.26 -2.06 120.40 120.41 1p4r s VAL 378 Ca -0.02 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1p4r s VAL 378 Cb -0.03 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1p4r s VAL 378 CO -0.00 0.20 -0.05 0.00 -3.33 0.00 0.00 175.10 171.92 1p4r s ARG 379 N -1.28 0.38 -0.14 1.54 1.70 -0.54 -4.96 118.95 115.63 1p4r s ARG 379 Ca 0.08 -0.43 -0.12 0.00 -0.47 0.00 0.00 55.73 54.79 1p4r s ARG 379 Cb -0.09 -0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.02 1p4r s ARG 379 CO 0.02 0.05 0.24 0.99 -1.08 0.00 0.00 175.30 175.52 1p4r s THR 380 N -0.77 5.34 -0.07 4.99 2.01 -1.26 -0.22 115.64 125.67 1p4r s THR 380 Ca -0.06 0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1p4r s THR 380 Cb -0.06 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.92 1p4r s THR 380 CO -0.00 0.47 0.01 -0.22 -0.69 0.00 0.00 174.62 174.18 1p4r s LEU 381 N -0.02 0.56 -1.51 4.42 2.96 0.17 -4.80 118.68 120.46 1p4r s LEU 381 Ca 0.15 -0.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 1p4r s LEU 381 Cb -0.13 -0.41 0.12 0.00 0.50 0.00 0.00 46.19 46.26 1p4r s LEU 381 CO 0.04 -0.20 0.71 0.33 -1.32 0.00 0.00 176.35 175.91 1p4r n PHE 382 N 5.14 -1.86 0.00 5.38 7.35 -1.26 -0.25 117.46 131.96 1p4r n PHE 382 Ca -0.07 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1p4r n PHE 382 Cb 0.50 -3.09 0.00 0.00 0.35 0.00 0.00 39.48 37.24 1p4r n PHE 382 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1p4r n GLY 383 N -1.35 2.45 3.98 7.13 0.00 -1.26 -5.01 105.19 111.13 1p4r n GLY 383 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1p4r n GLY 383 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p4r s LEU 384 N 0.00 4.12 -0.08 0.99 1.43 0.65 -5.07 118.68 120.72 1p4r s LEU 384 Ca 0.00 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1p4r s LEU 384 Cb 0.00 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1p4r s LEU 384 CO 0.00 -0.27 -0.19 -1.00 0.23 0.00 0.00 176.35 175.12 1p4r s HIS 385 N -2.11 2.62 -0.01 0.29 3.76 -1.26 0.42 115.29 119.00 1p4r s HIS 385 Ca 0.40 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1p4r s HIS 385 Cb -0.09 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 1p4r s HIS 385 CO 0.31 -0.13 0.04 -0.51 -0.85 0.00 0.00 174.74 173.60 1p4r s LEU 386 N -0.13 3.72 0.02 0.89 1.43 0.70 -4.94 118.68 120.36 1p4r s LEU 386 Ca -0.03 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1p4r s LEU 386 Cb -0.14 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1p4r s LEU 386 CO 0.04 0.28 -0.06 -0.55 0.23 0.00 0.00 176.35 176.29 1p4r s SER 387 N -1.62 0.72 0.23 2.29 0.15 -1.26 -1.47 113.70 112.73 1p4r s SER 387 Ca 0.21 -0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1p4r s SER 387 Cb -0.12 -0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.25 1p4r s SER 387 CO 0.12 -0.07 0.95 0.00 1.20 0.00 0.00 173.24 175.44 1p4r s GLN 388 N -0.86 1.51 -0.11 5.44 -2.07 -0.88 -5.01 119.66 117.70 1p4r s GLN 388 Ca -0.04 -0.94 -0.19 0.00 -1.82 0.00 0.00 55.36 52.36 1p4r s GLN 388 Cb -0.06 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 1p4r s GLN 388 CO 0.00 -0.71 0.52 0.21 -1.32 0.00 0.00 175.29 174.00 1p4r s LYS 389 N -2.53 4.36 1.10 9.60 2.36 -1.26 -1.52 119.74 131.85 1p4r s LYS 389 Ca 0.18 0.54 -0.12 0.00 -2.55 0.00 0.00 55.97 54.01 1p4r s LYS 389 Cb -0.03 -3.44 0.25 0.00 -1.05 0.00 0.00 37.83 33.56 1p4r s LYS 389 CO 0.06 0.14 1.05 -0.98 1.55 0.00 0.00 175.35 177.17 1p4r s ARG 390 N 0.65 -0.38 -0.74 4.03 1.70 0.28 -4.90 118.95 119.60 1p4r s ARG 390 Ca 0.28 0.78 -0.22 0.00 -0.47 0.00 0.00 55.73 56.11 1p4r s ARG 390 Cb -0.16 -1.62 0.09 0.00 -0.57 0.00 0.00 34.95 32.69 1p4r s ARG 390 CO 0.12 -3.35 1.02 1.21 -1.08 0.00 0.00 175.30 173.22 1p4r s ASN 391 N -2.82 6.30 -0.16 -2.89 3.84 -1.26 -4.82 114.94 113.12 1p4r s ASN 391 Ca 0.67 -1.28 0.16 0.00 0.21 0.00 0.00 52.86 52.62 1p4r s ASN 391 Cb -0.23 -2.42 0.74 0.00 -0.55 0.00 0.00 41.25 38.80 1p4r s ASN 391 CO 0.62 -1.34 1.65 0.59 -2.79 0.00 0.00 177.10 175.83 1p4r n ASN 392 N 7.44 5.05 -4.62 -4.21 3.02 -1.26 -4.99 115.26 115.69 1p4r n ASN 392 Ca 0.05 -2.63 -0.56 0.00 -0.03 0.00 0.00 54.58 51.41 1p4r n ASN 392 Cb 0.46 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 1p4r n ASN 392 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4r n GLY 393 N 0.91 0.46 3.71 7.41 0.00 -1.26 -4.89 105.19 111.52 1p4r n GLY 393 Ca 0.26 0.80 -0.40 0.00 0.00 0.00 0.00 46.02 46.68 1p4r n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p4r s VAL 394 N 1.48 5.03 -0.33 1.61 1.01 -1.26 -5.03 120.40 122.90 1p4r s VAL 394 Ca 0.91 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 64.34 1p4r s VAL 394 Cb -1.07 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 31.31 1p4r s VAL 394 CO 0.56 0.23 0.07 -0.69 0.00 0.00 0.00 175.10 175.28 1p4r s VAL 395 N 0.89 3.23 0.31 2.92 1.01 -1.26 -4.88 120.40 122.62 1p4r s VAL 395 Ca 0.38 -1.49 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1p4r s VAL 395 Cb -0.18 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1p4r s VAL 395 CO 0.18 -0.26 0.45 1.51 0.00 0.00 0.00 175.10 176.98 1p4r s ASP 396 N 1.42 0.59 0.23 3.32 1.47 -1.26 -4.85 116.67 117.59 1p4r s ASP 396 Ca -0.01 -1.34 -0.14 0.00 1.18 0.00 0.00 52.55 52.24 1p4r s ASP 396 Cb -0.20 0.62 0.28 0.00 -0.34 0.00 0.00 42.92 43.28 1p4r s ASP 396 CO -0.01 -1.23 1.47 2.29 0.68 0.00 0.00 175.17 178.38 1p4r n LYS 397 N -0.49 -0.19 0.30 2.11 -0.00 -1.26 -0.67 118.16 117.96 1p4r n LYS 397 Ca 0.00 1.47 0.17 0.00 -0.00 0.00 0.00 58.31 59.95 1p4r n LYS 397 Cb 0.62 -2.18 0.99 0.00 -0.00 0.00 0.00 35.03 34.46 1p4r n LYS 397 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1p4r h SER 398 N 0.00 0.00 0.01 -5.58 4.64 -1.98 -1.24 113.55 109.40 1p4r h SER 398 Ca 0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1p4r h SER 398 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1p4r h SER 398 CO -0.95 0.00 -0.01 0.25 -0.87 0.00 0.00 176.83 175.25 1p4r h LEU 399 N 0.00 0.00 -2.85 5.97 5.85 -1.23 -2.53 115.31 120.51 1p4r h LEU 399 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1p4r h LEU 399 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1p4r h LEU 399 CO -0.00 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 1p4r n PHE 400 N -4.33 1.13 0.38 1.25 3.72 -0.47 -4.52 117.46 114.63 1p4r n PHE 400 Ca -0.03 -0.53 0.13 0.00 -0.05 0.00 0.00 57.45 56.97 1p4r n PHE 400 Cb 0.10 -0.06 0.52 0.00 -0.94 0.00 0.00 39.48 39.09 1p4r n PHE 400 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1p4r h SER 401 N 4.30 0.00 -1.09 4.37 4.64 -1.53 -3.34 113.55 120.90 1p4r h SER 401 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1p4r h SER 401 Cb 1.12 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 1p4r h SER 401 CO 0.06 0.00 1.32 -3.20 -0.87 0.00 0.00 176.83 174.14 1p4r n ASN 402 N -2.36 7.19 -4.56 4.97 5.15 -1.26 -4.94 115.26 119.45 1p4r n ASN 402 Ca 0.02 -3.16 -0.38 0.00 -0.60 0.00 0.00 54.58 50.45 1p4r n ASN 402 Cb 0.24 -1.30 -0.03 0.00 -0.53 0.00 0.00 39.78 38.17 1p4r n ASN 402 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1p4r s VAL 403 N -1.69 3.26 -0.86 3.44 1.01 -1.26 -2.02 120.40 122.28 1p4r s VAL 403 Ca 0.57 0.17 0.27 0.00 0.00 0.00 0.00 61.98 62.99 1p4r s VAL 403 Cb 0.29 -3.60 0.24 0.00 0.00 0.00 0.00 36.38 33.31 1p4r s VAL 403 CO -0.16 -0.55 1.79 1.33 0.00 0.00 0.00 175.10 177.51 1p4r n VAL 404 N 7.49 0.29 -1.53 2.92 0.24 -0.11 -4.86 118.33 122.77 1p4r n VAL 404 Ca 0.26 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.34 62.10 1p4r n VAL 404 Cb 0.52 -0.47 0.06 0.00 -1.47 0.00 0.00 33.84 32.47 1p4r n VAL 404 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1p4r s THR 405 N -3.06 3.92 0.20 3.34 -4.23 -1.25 -4.94 115.64 109.63 1p4r s THR 405 Ca 0.12 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 1p4r s THR 405 Cb 0.16 -3.33 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1p4r s THR 405 CO 0.58 -0.81 1.77 0.11 -0.54 0.00 0.00 174.62 175.72 1p4r h LYS 406 N -0.78 0.48 -6.18 3.99 1.57 -1.93 -3.36 116.57 110.36 1p4r h LYS 406 Ca -0.44 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 1p4r h LYS 406 Cb 1.21 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1p4r h LYS 406 CO 0.56 0.32 0.72 1.21 -0.57 0.00 0.00 179.45 181.69 1p4r s ASN 407 N -5.46 7.13 -0.05 0.86 3.84 -1.26 -4.91 114.94 115.08 1p4r s ASN 407 Ca -0.13 1.52 0.08 0.00 0.21 0.00 0.00 52.86 54.54 1p4r s ASN 407 Cb 0.16 -2.55 0.12 0.00 -0.55 0.00 0.00 41.25 38.43 1p4r s ASN 407 CO 0.75 -0.59 1.06 0.29 -2.79 0.00 0.00 177.10 175.81 1p4r n LYS 408 N 5.76 2.28 -2.88 0.43 5.02 -1.26 -4.74 118.16 122.77 1p4r n LYS 408 Ca 0.11 -1.94 -0.43 0.00 -2.02 0.00 0.00 58.31 54.03 1p4r n LYS 408 Cb 0.47 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 1p4r n LYS 408 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1p4r s ASP 409 N -1.76 6.32 -0.59 4.39 1.01 -1.26 -4.96 116.67 119.81 1p4r s ASP 409 Ca 0.13 -1.35 -0.21 0.00 0.71 0.00 0.00 52.55 51.83 1p4r s ASP 409 Cb 0.11 -2.41 0.07 0.00 1.01 0.00 0.00 42.92 41.70 1p4r s ASP 409 CO 0.01 -1.31 0.83 -0.22 0.21 0.00 0.00 175.17 174.69 1p4r s LEU 410 N 3.60 4.67 0.43 1.23 2.96 -1.26 -5.02 118.68 125.29 1p4r s LEU 410 Ca 0.25 -0.95 -0.22 0.00 -0.22 0.00 0.00 54.13 53.00 1p4r s LEU 410 Cb -0.13 -2.48 -0.12 0.00 0.50 0.00 0.00 46.19 43.96 1p4r s LEU 410 CO 0.03 -1.22 0.56 -2.65 -1.32 0.00 0.00 176.35 171.76 1p4r n PRO 411 N 7.04 0.60 -0.36 0.98 -0.02 -1.26 -4.71 135.00 137.27 1p4r n PRO 411 Ca -0.05 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.72 1p4r n PRO 411 Cb 0.45 -1.54 0.23 0.00 -0.02 0.00 0.00 33.50 32.62 1p4r n PRO 411 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1p4r h GLU 412 N 0.79 0.98 0.00 -0.52 4.39 -2.00 0.14 114.58 118.37 1p4r h GLU 412 Ca -0.41 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 1p4r h GLU 412 Cb 1.40 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1p4r h GLU 412 CO 0.51 0.65 -0.08 0.66 -1.16 0.00 0.00 179.01 179.59 1p4r h SER 413 N 1.01 0.00 -0.09 1.42 4.64 -1.99 -2.51 113.55 116.03 1p4r h SER 413 Ca 0.49 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.60 1p4r h SER 413 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1p4r h SER 413 CO -0.26 0.08 -0.76 0.00 -0.87 0.00 0.00 176.83 175.03 1p4r h ALA 414 N 1.92 0.21 -0.39 5.18 0.00 -1.34 -1.62 119.26 123.21 1p4r h ALA 414 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1p4r h ALA 414 Cb 0.91 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1p4r h ALA 414 CO 0.01 0.57 0.24 -0.07 0.00 0.00 0.00 179.25 180.01 1p4r h LEU 415 N 0.34 0.46 -0.39 0.00 3.38 -1.20 0.19 115.31 118.09 1p4r h LEU 415 Ca -0.07 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1p4r h LEU 415 Cb 1.41 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1p4r h LEU 415 CO 0.15 0.36 0.18 -0.09 0.09 0.00 0.00 178.44 179.14 1p4r h ARG 416 N 0.52 0.37 -0.59 1.13 2.43 -1.37 0.42 114.38 117.27 1p4r h ARG 416 Ca 0.14 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1p4r h ARG 416 Cb -0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1p4r h ARG 416 CO -0.03 0.24 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.23 1p4r h ASP 417 N 0.38 1.03 -0.33 -3.80 3.32 -1.00 -2.31 116.42 113.71 1p4r h ASP 417 Ca 0.17 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1p4r h ASP 417 Cb 0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1p4r h ASP 417 CO -0.12 1.09 0.06 -0.07 -1.72 0.00 0.00 179.24 178.47 1p4r h LEU 418 N 0.94 0.60 -0.70 1.55 3.38 -0.05 -0.99 115.31 120.04 1p4r h LEU 418 Ca 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1p4r h LEU 418 Cb 0.56 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1p4r h LEU 418 CO 0.03 0.63 0.21 0.40 0.09 0.00 0.00 178.44 179.80 1p4r h ILE 419 N 0.62 1.26 -0.14 1.22 2.04 -0.62 0.24 117.51 122.13 1p4r h ILE 419 Ca 0.14 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1p4r h ILE 419 Cb 0.30 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1p4r h ILE 419 CO 0.00 0.35 0.06 0.58 0.00 0.00 0.00 178.15 179.15 1p4r h VAL 420 N 1.03 1.14 -0.51 1.67 2.07 -0.86 -1.91 116.25 118.88 1p4r h VAL 420 Ca 0.22 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1p4r h VAL 420 Cb 0.31 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1p4r h VAL 420 CO -0.01 0.13 -0.12 0.00 0.02 0.00 0.00 177.57 177.59 1p4r h ALA 421 N 0.92 0.83 -0.13 1.67 0.00 -0.96 -1.39 119.26 120.20 1p4r h ALA 421 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1p4r h ALA 421 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p4r h ALA 421 CO -0.01 0.65 0.00 1.15 0.00 0.00 0.00 179.25 181.05 1p4r h THR 422 N 0.85 1.25 -0.47 0.00 2.02 -0.47 0.12 112.91 116.21 1p4r h THR 422 Ca 0.13 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 1p4r h THR 422 Cb 0.66 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1p4r h THR 422 CO 0.05 0.24 0.04 0.40 0.37 0.00 0.00 175.52 176.61 1p4r h ILE 423 N -0.03 1.23 0.52 3.11 2.04 -1.35 -0.24 117.51 122.79 1p4r h ILE 423 Ca 0.04 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1p4r h ILE 423 Cb 0.36 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1p4r h ILE 423 CO 0.01 0.32 -0.25 0.00 0.00 0.00 0.00 178.15 178.23 1p4r h ALA 424 N 1.33 -0.70 -0.53 1.87 0.00 -1.11 -2.87 119.26 117.26 1p4r h ALA 424 Ca 0.15 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1p4r h ALA 424 Cb 0.38 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1p4r h ALA 424 CO 0.01 -0.82 0.36 -0.24 0.00 0.00 0.00 179.25 178.56 1p4r h VAL 425 N -0.84 0.86 0.00 0.00 3.04 -0.67 0.89 116.25 119.53 1p4r h VAL 425 Ca -0.07 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1p4r h VAL 425 Cb 0.59 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1p4r h VAL 425 CO 0.12 0.05 -0.10 0.50 -1.01 0.00 0.00 177.57 177.13 1p4r h LYS 426 N 0.27 0.00 -0.35 4.17 3.64 -0.83 -2.23 116.57 121.24 1p4r h LYS 426 Ca 0.25 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 1p4r h LYS 426 Cb 0.61 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.31 1p4r h LYS 426 CO -0.05 0.10 -0.20 0.66 -2.27 0.00 0.00 179.45 177.69 1p4r n TYR 427 N -3.87 1.12 -5.09 1.91 4.01 0.28 -4.76 117.16 110.78 1p4r n TYR 427 Ca -0.02 -1.71 -0.32 0.00 -0.16 0.00 0.00 57.90 55.69 1p4r n TYR 427 Cb 0.19 -0.47 -0.15 0.00 -0.31 0.00 0.00 39.34 38.61 1p4r n TYR 427 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1p4r s THR 428 N -3.44 2.58 0.33 -0.72 2.01 -0.84 -4.29 115.64 111.27 1p4r s THR 428 Ca 0.45 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1p4r s THR 428 Cb 0.41 -1.96 -0.11 0.00 0.01 0.00 0.00 72.50 70.85 1p4r s THR 428 CO -0.01 0.58 1.42 -1.10 -0.69 0.00 0.00 174.62 174.82 1p4r s GLN 429 N -0.65 4.23 0.47 4.92 -1.52 -1.26 -4.27 119.66 121.59 1p4r s GLN 429 Ca 0.10 2.39 -0.10 0.00 -1.95 0.00 0.00 55.36 55.80 1p4r s GLN 429 Cb -0.10 -3.04 -0.06 0.00 -0.22 0.00 0.00 33.01 29.59 1p4r s GLN 429 CO -0.00 -0.39 0.84 -1.12 -0.25 0.00 0.00 175.29 174.37 1p4r s SER 430 N -0.14 6.43 0.60 5.90 0.01 -0.33 0.49 113.70 126.65 1p4r s SER 430 Ca 0.53 1.18 -0.20 0.00 1.31 0.00 0.00 55.95 58.78 1p4r s SER 430 Cb -0.43 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1p4r s SER 430 CO 0.55 -0.54 1.30 0.20 0.41 0.00 0.00 173.24 175.16 1p4r s ASN 431 N -3.54 4.94 -0.01 2.44 0.01 -0.91 -3.59 114.94 114.29 1p4r s ASN 431 Ca 0.52 2.64 0.02 0.00 -0.71 0.00 0.00 52.86 55.33 1p4r s ASN 431 Cb -0.10 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 38.93 1p4r s ASN 431 CO 0.38 -1.78 -0.07 -0.44 -1.51 0.00 0.00 177.10 173.68 1p4r s SER 432 N -1.26 0.86 -0.10 -1.22 0.01 -1.26 -2.11 113.70 108.63 1p4r s SER 432 Ca 0.78 -0.13 -0.06 0.00 1.31 0.00 0.00 55.95 57.85 1p4r s SER 432 Cb -0.38 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 65.74 1p4r s SER 432 CO 0.42 0.07 0.23 -0.69 0.41 0.00 0.00 173.24 173.68 1p4r s VAL 433 N 0.00 -0.03 -0.05 3.43 1.01 -0.88 -2.08 120.40 121.80 1p4r s VAL 433 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1p4r s VAL 433 Cb -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1p4r s VAL 433 CO -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 1p4r s TYR 435 N 0.88 3.40 0.06 0.00 1.51 0.00 -1.28 117.35 121.92 1p4r s TYR 435 Ca -0.12 0.43 0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1p4r s TYR 435 Cb -0.15 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1p4r s TYR 435 CO 0.01 0.17 -0.15 0.00 -1.11 0.00 0.00 175.55 174.47 1p4r s ALA 436 N 0.71 1.29 -0.22 3.71 0.00 0.13 0.66 121.76 128.03 1p4r s ALA 436 Ca 0.12 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1p4r s ALA 436 Cb -0.13 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.90 1p4r s ALA 436 CO 0.03 0.22 0.56 0.21 0.00 0.00 0.00 175.76 176.78 1p4r s LYS 437 N -1.50 0.58 -1.19 0.00 2.47 -0.75 -1.15 119.74 118.21 1p4r s LYS 437 Ca 0.01 0.98 -0.06 0.00 -1.56 0.00 0.00 55.97 55.33 1p4r s LYS 437 Cb -0.09 0.11 0.01 0.00 -1.46 0.00 0.00 37.83 36.40 1p4r s LYS 437 CO 0.02 -0.14 1.03 0.09 0.16 0.00 0.00 175.35 176.51 1p4r n ASN 438 N 4.02 -5.15 -1.61 1.43 3.02 -1.26 -2.93 115.26 112.78 1p4r n ASN 438 Ca -0.20 -0.50 -0.16 0.00 -0.03 0.00 0.00 54.58 53.69 1p4r n ASN 438 Cb 0.57 -4.57 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 1p4r n ASN 438 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p4r n GLY 439 N -1.71 0.57 3.09 7.41 0.00 -1.26 -4.90 105.19 108.39 1p4r n GLY 439 Ca -0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1p4r n GLY 439 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p4r s GLN 440 N -4.18 0.56 0.20 1.61 -2.07 -1.15 -1.94 119.66 112.68 1p4r s GLN 440 Ca 0.00 -0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 52.44 1p4r s GLN 440 Cb 0.00 0.21 -0.09 0.00 -1.09 0.00 0.00 33.01 32.05 1p4r s GLN 440 CO 0.00 -0.13 1.28 0.08 -1.32 0.00 0.00 175.29 175.20 1p4r s VAL 441 N -2.65 3.29 -0.31 3.63 1.01 0.77 -1.81 120.40 124.34 1p4r s VAL 441 Ca -0.05 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1p4r s VAL 441 Cb -0.01 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1p4r s VAL 441 CO -0.05 0.16 0.32 -0.38 0.00 0.00 0.00 175.10 175.15 1p4r n ILE 442 N 2.56 0.00 0.00 2.22 -0.00 0.21 -4.60 119.36 119.76 1p4r n ILE 442 Ca 0.06 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1p4r n ILE 442 Cb 0.43 0.87 0.00 0.00 -0.00 0.00 0.00 39.64 40.94 1p4r n ILE 442 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1p4r n GLY 443 N 1.35 0.81 3.39 7.39 0.00 -1.01 -3.14 105.19 113.98 1p4r n GLY 443 Ca 0.01 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 1p4r n GLY 443 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1p4r s ILE 444 N 0.00 2.81 -0.36 -0.61 1.10 -1.26 -0.82 121.20 122.06 1p4r s ILE 444 Ca 0.00 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.36 1p4r s ILE 444 Cb 0.00 -2.11 0.10 0.00 0.15 0.00 0.00 42.46 40.59 1p4r s ILE 444 CO 0.00 0.56 0.11 -0.83 -2.11 0.00 0.00 174.94 172.67 1p4r s GLY 445 N -0.24 1.93 0.14 1.50 0.00 0.24 -4.40 107.32 106.49 1p4r s GLY 445 Ca 0.00 -2.43 0.05 0.00 0.00 0.00 0.00 44.72 42.35 1p4r s GLY 445 CO 0.03 0.94 0.06 0.00 0.00 0.00 0.00 173.10 174.13 1p4r s ALA 446 N 1.05 3.41 -1.74 3.20 0.00 -1.26 -2.08 121.76 124.33 1p4r s ALA 446 Ca 0.07 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 1p4r s ALA 446 Cb -0.21 -1.23 0.15 0.00 0.00 0.00 0.00 23.12 21.83 1p4r s ALA 446 CO -0.05 0.56 0.37 0.41 0.00 0.00 0.00 175.76 177.05 1p4r n GLY 447 N -0.01 -0.29 3.91 0.00 0.00 0.18 -4.83 105.19 104.15 1p4r n GLY 447 Ca -0.09 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1p4r n GLY 447 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p4r s GLN 448 N -7.24 3.60 0.32 1.61 -1.52 -1.17 -4.53 119.66 110.73 1p4r s GLN 448 Ca 0.52 0.03 0.25 0.00 -1.95 0.00 0.00 55.36 54.21 1p4r s GLN 448 Cb -0.30 -2.56 0.69 0.00 -0.22 0.00 0.00 33.01 30.61 1p4r s GLN 448 CO 1.01 0.08 1.73 1.96 -0.25 0.00 0.00 175.29 179.82 1p4r h GLN 449 N 1.13 0.00 -3.30 2.91 7.50 -1.92 -2.40 115.11 119.02 1p4r h GLN 449 Ca -0.48 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.50 1p4r h GLN 449 Cb 1.20 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.48 1p4r h GLN 449 CO 0.64 0.00 -0.49 -1.54 -1.50 0.00 0.00 178.83 175.94 1p4r s SER 450 N -5.18 -0.16 0.45 1.46 1.04 -1.26 -5.00 113.70 105.05 1p4r s SER 450 Ca 0.08 0.28 0.12 0.00 0.48 0.00 0.00 55.95 56.91 1p4r s SER 450 Cb 0.09 0.36 1.04 0.00 0.10 0.00 0.00 66.02 67.61 1p4r s SER 450 CO 0.60 -0.13 2.08 -0.09 0.98 0.00 0.00 173.24 176.68 1p4r h ARG 451 N 5.53 0.32 -0.43 4.02 2.43 -1.96 -0.23 114.38 124.06 1p4r h ARG 451 Ca -0.26 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 1p4r h ARG 451 Cb 1.20 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1p4r h ARG 451 CO 0.39 0.21 0.05 0.97 -1.51 0.00 0.00 179.97 180.08 1p4r h ILE 452 N 0.33 1.21 -0.06 1.20 6.09 -1.98 -0.19 117.51 124.10 1p4r h ILE 452 Ca 0.12 -0.83 -0.11 0.00 -1.37 0.00 0.00 64.86 62.67 1p4r h ILE 452 Cb 0.07 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.19 1p4r h ILE 452 CO -0.03 0.29 -0.47 0.45 -3.07 0.00 0.00 178.15 175.33 1p4r h HIS 453 N 0.65 0.19 0.09 2.19 3.86 -1.47 -0.21 115.15 120.45 1p4r h HIS 453 Ca 0.14 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1p4r h HIS 453 Cb 0.34 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1p4r h HIS 453 CO 0.02 0.60 -0.04 0.00 0.86 0.00 0.00 177.93 179.37 1p4r h THR 455 N -0.43 1.07 -0.07 0.00 2.02 -0.90 0.35 112.91 114.95 1p4r h THR 455 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1p4r h THR 455 Cb 0.36 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1p4r h THR 455 CO 0.02 0.09 0.03 0.03 0.37 0.00 0.00 175.52 176.06 1p4r h ARG 456 N 0.50 0.06 0.66 6.66 3.08 -1.01 0.19 114.38 124.52 1p4r h ARG 456 Ca 0.15 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1p4r h ARG 456 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1p4r h ARG 456 CO -0.05 0.04 -0.50 1.25 -1.07 0.00 0.00 179.97 179.64 1p4r h LEU 457 N 0.07 -1.31 -1.67 3.04 5.85 -0.67 0.88 115.31 121.50 1p4r h LEU 457 Ca 0.03 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1p4r h LEU 457 Cb 0.01 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1p4r h LEU 457 CO -0.02 -0.71 0.13 0.00 -0.34 0.00 0.00 178.44 177.49 1p4r h ALA 458 N -1.06 1.75 0.07 1.25 0.00 -0.31 -1.69 119.26 119.27 1p4r h ALA 458 Ca -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p4r h ALA 458 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1p4r h ALA 458 CO 0.03 0.21 -0.04 0.78 0.00 0.00 0.00 179.25 180.24 1p4r h GLY 459 N 0.43 -0.10 0.67 0.00 0.00 -0.16 -1.25 103.07 102.66 1p4r h GLY 459 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1p4r h GLY 459 CO -0.01 -0.04 0.26 -0.55 0.00 0.00 0.00 176.54 176.19 1p4r h ASP 460 N -0.23 0.35 -0.80 0.19 3.32 -0.20 -0.50 116.42 118.55 1p4r h ASP 460 Ca -0.01 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1p4r h ASP 460 Cb 0.19 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1p4r h ASP 460 CO 0.02 0.24 0.53 0.11 -1.72 0.00 0.00 179.24 178.42 1p4r h LYS 461 N 0.49 1.03 -0.61 3.56 1.57 -1.15 0.20 116.57 121.67 1p4r h LYS 461 Ca 0.24 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1p4r h LYS 461 Cb 0.17 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1p4r h LYS 461 CO -0.18 0.68 0.29 0.00 -0.57 0.00 0.00 179.45 179.67 1p4r h ALA 462 N 1.51 0.78 0.24 3.86 0.00 -0.32 0.76 119.26 126.09 1p4r h ALA 462 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1p4r h ALA 462 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1p4r h ALA 462 CO -0.07 0.34 -0.12 -0.91 0.00 0.00 0.00 179.25 178.50 1p4r h ASN 463 N 0.83 -0.28 -0.96 0.00 4.21 0.56 0.11 115.58 120.05 1p4r h ASN 463 Ca 0.21 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.77 1p4r h ASN 463 Cb 0.12 0.07 -0.06 0.00 -1.12 0.00 0.00 38.32 37.33 1p4r h ASN 463 CO -0.03 -0.20 0.62 1.88 -1.29 0.00 0.00 177.43 178.42 1p4r h TYR 464 N -0.33 1.17 -0.40 1.19 0.99 -0.37 1.11 116.97 120.33 1p4r h TYR 464 Ca -0.03 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1p4r h TYR 464 Cb 0.25 -0.39 -0.02 0.00 1.00 0.00 0.00 36.73 37.58 1p4r h TYR 464 CO -0.06 0.66 0.24 2.35 -0.00 0.00 0.00 178.16 181.34 1p4r h TRP 465 N 1.19 0.52 -0.33 4.88 7.01 -0.58 -2.14 115.95 126.49 1p4r h TRP 465 Ca 0.39 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.35 1p4r h TRP 465 Cb 0.04 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1p4r h TRP 465 CO -0.01 0.37 0.03 2.35 -2.79 0.00 0.00 178.44 178.40 1p4r h TRP 466 N 0.52 0.61 0.00 2.65 -0.00 0.85 -2.28 115.95 118.30 1p4r h TRP 466 Ca 0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1p4r h TRP 466 Cb -0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.00 1p4r h TRP 466 CO -0.04 0.65 0.00 1.28 -0.00 0.00 0.00 178.44 180.34 1p4r n LEU 467 N -4.57 0.30 -0.27 0.65 4.77 0.37 -0.22 117.00 118.04 1p4r n LEU 467 Ca -0.02 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1p4r n LEU 467 Cb 0.24 -0.68 0.45 0.00 -2.33 0.00 0.00 43.42 41.10 1p4r n LEU 467 CO 0.39 -0.74 0.73 0.54 -1.33 0.00 0.00 177.39 176.98 1p4r n ARG 468 N -1.90 0.97 0.00 3.23 1.74 -0.83 -3.14 116.66 116.73 1p4r n ARG 468 Ca -0.01 -0.53 0.11 0.00 -0.77 0.00 0.00 57.85 56.65 1p4r n ARG 468 Cb 0.02 -1.49 0.14 0.00 -1.02 0.00 0.00 32.46 30.11 1p4r n ARG 468 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1p4r n HIS 469 N -0.55 0.05 -1.71 -1.55 8.25 0.70 -4.47 115.22 115.94 1p4r n HIS 469 Ca 0.14 0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 1p4r n HIS 469 Cb 0.33 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1p4r n HIS 469 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1p4r n HIS 470 N -1.57 2.67 -0.30 4.41 -0.00 -1.19 -4.74 115.22 114.49 1p4r n HIS 470 Ca 0.05 0.06 0.02 0.00 -0.00 0.00 0.00 57.72 57.85 1p4r n HIS 470 Cb 0.35 -2.66 0.08 0.00 -0.00 0.00 0.00 29.99 27.76 1p4r n HIS 470 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1p4r n PRO 471 N 3.99 -0.13 0.12 1.57 -0.02 -1.26 0.15 135.00 139.42 1p4r n PRO 471 Ca 0.16 1.26 0.10 0.00 -2.02 0.00 0.00 63.50 63.00 1p4r n PRO 471 Cb 0.34 -1.88 0.46 0.00 -0.02 0.00 0.00 33.50 32.40 1p4r n PRO 471 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1p4r n GLN 472 N -5.26 0.13 -0.09 -0.52 6.02 -1.26 -0.41 117.38 115.99 1p4r n GLN 472 Ca 0.11 0.49 -0.23 0.00 -0.01 0.00 0.00 57.00 57.36 1p4r n GLN 472 Cb 0.37 -1.83 -0.12 0.00 1.02 0.00 0.00 30.24 29.68 1p4r n GLN 472 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1p4r n VAL 473 N -2.10 1.59 -0.01 5.09 0.31 0.41 -3.60 118.33 120.02 1p4r n VAL 473 Ca 0.01 -0.31 0.01 0.00 -0.01 0.00 0.00 64.34 64.04 1p4r n VAL 473 Cb 0.13 -1.87 0.33 0.00 -0.91 0.00 0.00 33.84 31.52 1p4r n VAL 473 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1p4r h LEU 474 N -0.64 0.51 -0.57 7.52 3.38 -0.91 -2.58 115.31 122.03 1p4r h LEU 474 Ca -0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1p4r h LEU 474 Cb 1.61 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1p4r h LEU 474 CO -0.17 0.50 -0.06 0.77 0.09 0.00 0.00 178.44 179.56 1p4r h SER 475 N 0.55 0.00 -2.20 -0.43 4.64 -0.91 -3.47 113.55 111.74 1p4r h SER 475 Ca 0.13 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.87 1p4r h SER 475 Cb 0.18 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.46 1p4r h SER 475 CO -0.01 0.06 -1.19 0.23 -0.87 0.00 0.00 176.83 175.06 1p4r n MET 476 N -3.13 0.06 -3.47 4.77 2.81 -0.97 -4.96 117.12 112.22 1p4r n MET 476 Ca 0.02 0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.68 1p4r n MET 476 Cb 0.47 -1.14 -0.12 0.00 -0.71 0.00 0.00 33.22 31.72 1p4r n MET 476 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1p4r s LYS 477 N -1.51 0.39 0.84 0.03 -0.14 -1.26 -5.07 119.74 113.02 1p4r s LYS 477 Ca 0.55 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 54.22 1p4r s LYS 477 Cb -0.40 -1.10 0.10 0.00 -1.68 0.00 0.00 37.83 34.75 1p4r s LYS 477 CO 0.68 -1.11 1.10 -0.06 -0.76 0.00 0.00 175.35 175.20 1p4r s PHE 478 N 1.66 2.28 -0.09 3.18 0.08 -1.26 -0.45 117.98 123.38 1p4r s PHE 478 Ca 0.13 1.53 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 1p4r s PHE 478 Cb -0.18 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 1p4r s PHE 478 CO -0.18 -2.20 0.31 -1.59 -0.10 0.00 0.00 175.22 171.45 1p4r s LYS 479 N -4.84 3.96 0.24 0.44 -2.85 -0.42 -4.29 119.74 111.98 1p4r s LYS 479 Ca 0.63 0.17 -0.30 0.00 -1.00 0.00 0.00 55.97 55.47 1p4r s LYS 479 Cb -0.19 -3.30 -0.15 0.00 -2.06 0.00 0.00 37.83 32.13 1p4r s LYS 479 CO 0.57 0.51 1.12 2.41 0.10 0.00 0.00 175.35 180.06 1p4r n THR 480 N 2.61 1.43 0.00 3.79 -1.04 -1.26 -2.23 114.28 117.58 1p4r n THR 480 Ca -0.14 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1p4r n THR 480 Cb 0.53 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1p4r n THR 480 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1p4r n GLY 481 N 1.65 1.54 3.61 3.41 0.00 -1.26 -5.05 105.19 109.10 1p4r n GLY 481 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1p4r n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p4r s VAL 482 N -2.16 4.63 0.70 1.61 0.11 -0.95 -5.01 120.40 119.34 1p4r s VAL 482 Ca 0.00 1.25 -0.15 0.00 -2.93 0.00 0.00 61.98 60.15 1p4r s VAL 482 Cb 0.00 -4.29 0.02 0.00 -1.53 0.00 0.00 36.38 30.58 1p4r s VAL 482 CO 0.00 -0.45 1.19 -0.54 -3.33 0.00 0.00 175.10 171.97 1p4r s LYS 483 N 3.35 2.35 0.42 1.54 1.02 -1.26 -4.75 119.74 122.41 1p4r s LYS 483 Ca 0.37 1.70 0.16 0.00 0.02 0.00 0.00 55.97 58.23 1p4r s LYS 483 Cb -0.13 -1.86 1.05 0.00 -0.52 0.00 0.00 37.83 36.37 1p4r s LYS 483 CO 0.17 -1.66 1.89 0.00 -0.92 0.00 0.00 175.35 174.82 1p4r h ARG 484 N -0.10 0.42 0.18 1.68 3.08 -1.95 0.95 114.38 118.64 1p4r h ARG 484 Ca -0.48 -0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.24 1p4r h ARG 484 Cb 1.29 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 31.27 1p4r h ARG 484 CO 0.51 0.28 -1.34 0.00 -1.07 0.00 0.00 179.97 178.35 1p4r h ALA 485 N 1.63 -0.04 -0.85 0.04 0.00 -1.92 -3.03 119.26 115.09 1p4r h ALA 485 Ca 0.42 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1p4r h ALA 485 Cb 0.98 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1p4r h ALA 485 CO -0.15 0.75 0.56 1.05 0.00 0.00 0.00 179.25 181.46 1p4r h GLU 486 N 0.18 0.97 0.24 0.00 9.09 -1.38 -2.57 114.58 121.10 1p4r h GLU 486 Ca -0.20 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.14 1p4r h GLU 486 Cb 2.03 -0.22 0.00 0.00 -1.65 0.00 0.00 28.75 28.91 1p4r h GLU 486 CO 0.25 0.64 -0.11 0.82 0.05 0.00 0.00 179.01 180.66 1p4r h ILE 487 N 1.00 0.83 -1.02 -1.06 2.04 -0.93 -1.11 117.51 117.27 1p4r h ILE 487 Ca 0.35 -0.56 0.28 0.00 1.00 0.00 0.00 64.86 65.93 1p4r h ILE 487 Cb 0.12 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1p4r h ILE 487 CO -0.12 0.12 0.71 0.28 0.00 0.00 0.00 178.15 179.15 1p4r h SER 488 N -0.61 0.11 0.17 1.72 0.02 -1.36 0.82 113.55 114.42 1p4r h SER 488 Ca -0.03 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.62 1p4r h SER 488 Cb 0.44 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.01 1p4r h SER 488 CO 0.05 0.03 -1.32 0.78 -1.14 0.00 0.00 176.83 175.23 1p4r h ASN 489 N 0.10 0.87 0.71 3.07 2.35 -1.31 -0.11 115.58 121.27 1p4r h ASN 489 Ca 0.50 -0.84 -0.03 0.00 -0.55 0.00 0.00 56.30 55.38 1p4r h ASN 489 Cb 1.81 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.90 1p4r h ASN 489 CO -0.07 1.64 -0.47 0.00 -1.65 0.00 0.00 177.43 176.88 1p4r h ALA 490 N 0.25 -1.24 -0.73 -0.83 0.00 0.18 0.25 119.26 117.14 1p4r h ALA 490 Ca -0.21 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1p4r h ALA 490 Cb 2.00 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 20.34 1p4r h ALA 490 CO 0.25 -1.21 0.44 0.82 0.00 0.00 0.00 179.25 179.55 1p4r h ILE 491 N -1.12 1.04 0.11 0.00 2.04 -0.52 0.77 117.51 119.83 1p4r h ILE 491 Ca -0.10 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1p4r h ILE 491 Cb 0.91 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1p4r h ILE 491 CO 0.07 0.15 -0.07 -0.78 0.00 0.00 0.00 178.15 177.52 1p4r h ASP 492 N 0.83 -0.19 -0.24 1.72 1.82 -0.83 0.17 116.42 119.70 1p4r h ASP 492 Ca 0.31 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 57.02 1p4r h ASP 492 Cb 0.12 0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.13 1p4r h ASP 492 CO -0.15 -0.12 -0.12 1.56 -1.61 0.00 0.00 179.24 178.80 1p4r h GLN 493 N -0.19 -0.09 -0.16 0.28 4.20 0.09 0.24 115.11 119.49 1p4r h GLN 493 Ca -0.01 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1p4r h GLN 493 Cb 0.16 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 1p4r h GLN 493 CO 0.01 -0.06 -0.32 -0.92 -0.67 0.00 0.00 178.83 176.87 1p4r h TYR 494 N -0.09 -0.88 -0.16 2.96 3.20 -0.22 0.90 116.97 122.69 1p4r h TYR 494 Ca 0.13 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 1p4r h TYR 494 Cb 0.28 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1p4r h TYR 494 CO -0.29 -0.39 -0.51 -0.39 -1.64 0.00 0.00 178.16 174.93 1p4r h VAL 495 N -0.38 1.33 -0.00 1.81 -1.51 -0.30 -2.72 116.25 114.48 1p4r h VAL 495 Ca 0.10 -1.75 0.00 0.00 -1.23 0.00 0.00 66.70 63.82 1p4r h VAL 495 Cb 0.54 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1p4r h VAL 495 CO -0.37 0.54 -0.08 0.35 -1.23 0.00 0.00 177.57 176.77 1p4r n THR 496 N -3.96 0.00 -3.05 7.19 -2.24 0.82 -4.92 114.28 108.12 1p4r n THR 496 Ca -0.02 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1p4r n THR 496 Cb 0.57 -0.35 0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1p4r n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p4r n GLY 497 N 1.44 0.02 2.57 3.38 0.00 0.29 -4.96 105.19 107.92 1p4r n GLY 497 Ca 0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1p4r n GLY 497 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p4r n THR 498 N -3.61 1.76 0.02 2.61 -2.24 0.39 -4.75 114.28 108.45 1p4r n THR 498 Ca -0.06 -4.37 -0.05 0.00 -2.27 0.00 0.00 64.05 57.29 1p4r n THR 498 Cb 0.56 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 1p4r n THR 498 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1p4r h ILE 499 N 2.61 0.98 0.00 2.28 2.04 -1.94 -3.44 117.51 120.04 1p4r h ILE 499 Ca 0.13 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1p4r h ILE 499 Cb 0.95 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1p4r h ILE 499 CO 0.70 0.56 0.00 0.61 0.00 0.00 0.00 178.15 180.01 1p4r n GLY 500 N 1.44 -0.29 0.00 5.37 0.00 -1.26 -4.07 105.19 106.38 1p4r n GLY 500 Ca -0.10 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1p4r n GLY 500 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p4r n GLU 501 N -0.38 3.43 0.00 1.61 -0.58 -1.26 -4.00 120.64 119.46 1p4r n GLU 501 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1p4r n GLU 501 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1p4r n GLU 501 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1p4r n ASP 502 N 0.00 0.00 -0.30 1.62 8.00 -1.26 0.62 116.55 125.23 1p4r n ASP 502 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1p4r n ASP 502 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1p4r n ASP 502 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1p4r n GLU 503 N 0.00 -0.19 0.35 -1.24 -0.58 -1.26 -0.91 120.64 116.82 1p4r n GLU 503 Ca 0.00 1.19 -0.19 0.00 -0.42 0.00 0.00 57.16 57.74 1p4r n GLU 503 Cb 0.00 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 1p4r n GLU 503 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1p4r h ASP 504 N 0.00 -1.32 -1.09 1.62 3.32 -1.60 -1.58 116.42 115.77 1p4r h ASP 504 Ca 0.26 0.09 0.30 0.00 0.02 0.00 0.00 57.03 57.70 1p4r h ASP 504 Cb 0.46 0.41 -0.09 0.00 0.22 0.00 0.00 39.33 40.33 1p4r h ASP 504 CO -0.77 -0.70 0.72 0.25 -1.72 0.00 0.00 179.24 177.02 1p4r h LEU 505 N -1.09 0.34 0.05 1.55 5.85 0.21 0.26 115.31 122.48 1p4r h LEU 505 Ca -0.08 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1p4r h LEU 505 Cb 0.91 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1p4r h LEU 505 CO 0.01 0.04 -0.03 -0.29 -0.34 0.00 0.00 178.44 177.84 1p4r h ILE 506 N 0.29 1.21 -0.08 4.05 2.10 -0.72 -0.45 117.51 123.90 1p4r h ILE 506 Ca 0.61 -0.91 0.04 0.00 1.08 0.00 0.00 64.86 65.68 1p4r h ILE 506 Cb 1.74 1.81 -0.05 0.00 -1.09 0.00 0.00 36.82 39.23 1p4r h ILE 506 CO -0.25 0.23 -0.27 0.11 -1.08 0.00 0.00 178.15 176.89 1p4r h LYS 507 N -0.48 -0.35 -0.25 2.19 1.57 0.32 0.98 116.57 120.54 1p4r h LYS 507 Ca -0.01 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1p4r h LYS 507 Cb 0.43 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 1p4r h LYS 507 CO 0.01 -0.24 -0.10 2.35 -0.57 0.00 0.00 179.45 180.91 1p4r h TRP 508 N -0.37 -0.22 -0.50 -1.35 7.01 -0.66 -0.99 115.95 118.87 1p4r h TRP 508 Ca 0.09 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1p4r h TRP 508 Cb 0.49 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 1p4r h TRP 508 CO -0.34 -0.15 0.25 0.87 -2.79 0.00 0.00 178.44 176.28 1p4r h LYS 509 N -0.05 0.69 0.03 2.65 1.79 -0.71 -2.81 116.57 118.17 1p4r h LYS 509 Ca 0.13 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1p4r h LYS 509 Cb 0.25 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 1p4r h LYS 509 CO -0.29 0.53 -0.42 0.00 -1.08 0.00 0.00 179.45 178.19 1p4r h ALA 510 N 1.58 -0.69 -0.27 3.86 0.00 0.55 -2.70 119.26 121.59 1p4r h ALA 510 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1p4r h ALA 510 Cb 0.05 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1p4r h ALA 510 CO -0.03 -0.97 0.90 1.28 0.00 0.00 0.00 179.25 180.43 1p4r n LEU 511 N -5.45 0.00 -5.00 0.00 4.77 -0.99 -4.61 117.00 105.71 1p4r n LEU 511 Ca -0.06 0.49 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1p4r n LEU 511 Cb 0.37 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1p4r n LEU 511 CO 0.17 -0.49 0.21 -0.36 -1.33 0.00 0.00 177.39 175.60 1p4r s PHE 512 N -3.67 2.75 -0.18 -1.77 0.40 -1.02 -1.29 117.98 113.19 1p4r s PHE 512 Ca -0.01 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 55.85 1p4r s PHE 512 Cb 0.04 -2.47 -0.06 0.00 0.51 0.00 0.00 43.02 41.03 1p4r s PHE 512 CO 0.12 -0.58 -0.27 -0.85 0.70 0.00 0.00 175.22 174.35 1p4r n GLU 513 N -2.00 0.51 -3.68 0.44 0.00 0.40 -4.40 120.64 111.93 1p4r n GLU 513 Ca 0.08 0.33 -0.35 0.00 0.00 0.00 0.00 57.16 57.22 1p4r n GLU 513 Cb 0.59 -1.53 -0.07 0.00 0.00 0.00 0.00 31.44 30.43 1p4r n GLU 513 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1p4r s GLU 514 N -2.64 3.10 0.11 3.44 4.04 -1.19 -5.04 118.70 120.52 1p4r s GLU 514 Ca -0.26 -3.20 -0.16 0.00 0.04 0.00 0.00 54.97 51.39 1p4r s GLU 514 Cb 0.05 -3.87 -0.10 0.00 0.02 0.00 0.00 34.13 30.23 1p4r s GLU 514 CO 0.38 -1.26 0.30 0.28 -1.84 0.00 0.00 175.26 173.13 1p4r n VAL 515 N 2.43 1.12 -3.72 1.83 0.31 -1.26 -4.63 118.33 114.41 1p4r n VAL 515 Ca 0.20 -0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 1p4r n VAL 515 Cb 0.37 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.29 1p4r n VAL 515 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1p4r s PRO 516 N -0.56 3.25 -0.33 5.55 0.05 -1.26 -5.07 135.00 136.63 1p4r s PRO 516 Ca 0.37 -0.91 -0.22 0.00 0.05 0.00 0.00 61.00 60.29 1p4r s PRO 516 Cb -0.53 -2.84 0.00 0.00 0.05 0.00 0.00 34.50 31.18 1p4r s PRO 516 CO 0.32 0.24 0.74 -1.83 0.05 0.00 0.00 177.00 176.51 1p4r s GLU 517 N -4.07 3.86 0.70 4.56 1.03 -1.26 -5.03 118.70 118.49 1p4r s GLU 517 Ca 0.40 0.39 -0.16 0.00 0.03 0.00 0.00 54.97 55.62 1p4r s GLU 517 Cb -0.09 -3.76 0.01 0.00 -0.80 0.00 0.00 34.13 29.49 1p4r s GLU 517 CO 0.30 -0.71 1.17 1.28 -1.33 0.00 0.00 175.26 175.97 1p4r n LEU 518 N 6.18 4.90 -4.69 1.83 4.77 -1.26 -4.94 117.00 123.79 1p4r n LEU 518 Ca 0.02 0.73 -0.40 0.00 -0.03 0.00 0.00 56.01 56.33 1p4r n LEU 518 Cb 0.48 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.03 1p4r n LEU 518 CO 0.50 -1.47 0.48 -0.76 -1.33 0.00 0.00 177.39 174.81 1p4r s LEU 519 N -4.16 4.22 1.11 2.23 1.43 -1.26 -5.05 118.68 117.20 1p4r s LEU 519 Ca 0.78 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 1p4r s LEU 519 Cb -0.35 -3.11 0.25 0.00 0.03 0.00 0.00 46.19 43.00 1p4r s LEU 519 CO 0.45 -0.26 1.06 0.42 0.23 0.00 0.00 176.35 178.25 1p4r s THR 520 N 1.57 1.95 0.05 5.49 -4.23 -1.26 -4.81 115.64 114.40 1p4r s THR 520 Ca 0.36 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.65 1p4r s THR 520 Cb -0.17 -2.31 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 1p4r s THR 520 CO 0.14 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.39 1p4r h GLU 521 N -2.32 0.22 -0.24 3.99 4.39 -2.00 -2.68 114.58 115.93 1p4r h GLU 521 Ca -0.57 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.12 1p4r h GLU 521 Cb 1.33 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 1p4r h GLU 521 CO 0.53 0.44 -0.11 0.00 -1.16 0.00 0.00 179.01 178.71 1p4r h ALA 522 N 0.76 0.09 -0.67 3.43 0.00 -1.99 -1.41 119.26 119.47 1p4r h ALA 522 Ca 0.04 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1p4r h ALA 522 Cb 0.34 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1p4r h ALA 522 CO 0.01 -0.53 0.18 0.93 0.00 0.00 0.00 179.25 179.84 1p4r h GLU 523 N -0.08 0.30 0.14 0.00 5.08 -1.90 0.60 114.58 118.72 1p4r h GLU 523 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1p4r h GLU 523 Cb 0.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1p4r h GLU 523 CO -0.30 0.20 -0.07 0.87 -1.00 0.00 0.00 179.01 178.71 1p4r h LYS 524 N 0.31 -0.18 -0.89 2.33 1.57 -1.07 -0.10 116.57 118.54 1p4r h LYS 524 Ca 0.37 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1p4r h LYS 524 Cb 0.57 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1p4r h LYS 524 CO -0.43 0.05 0.59 0.87 -0.57 0.00 0.00 179.45 179.96 1p4r h LYS 525 N -0.39 1.15 -0.31 3.15 1.57 -0.67 -0.88 116.57 120.19 1p4r h LYS 525 Ca -0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1p4r h LYS 525 Cb 0.31 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1p4r h LYS 525 CO 0.03 0.76 0.18 1.49 -0.57 0.00 0.00 179.45 181.34 1p4r h GLU 526 N 1.19 0.42 -0.68 3.15 4.81 0.34 -2.03 114.58 121.77 1p4r h GLU 526 Ca 0.33 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1p4r h GLU 526 Cb -0.10 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1p4r h GLU 526 CO -0.08 0.33 0.44 2.35 -0.73 0.00 0.00 179.01 181.32 1p4r h TRP 527 N 0.39 0.83 0.00 0.92 2.91 -0.40 -2.23 115.95 118.37 1p4r h TRP 527 Ca 0.11 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1p4r h TRP 527 Cb 0.02 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 28.39 1p4r h TRP 527 CO -0.04 0.50 -0.11 0.28 -1.03 0.00 0.00 178.44 178.04 1p4r h VAL 528 N 0.88 0.60 0.00 2.65 2.07 -0.92 -1.21 116.25 120.32 1p4r h VAL 528 Ca 0.26 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1p4r h VAL 528 Cb -0.05 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1p4r h VAL 528 CO -0.08 0.11 -0.33 -0.33 0.02 0.00 0.00 177.57 176.96 1p4r h GLU 529 N 0.00 0.00 0.00 1.57 5.08 -0.73 -2.47 114.58 118.04 1p4r h GLU 529 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p4r h GLU 529 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1p4r h GLU 529 CO 0.01 0.33 0.00 0.87 -1.00 0.00 0.00 179.01 179.22 1p4r h LYS 530 N 0.00 0.00 -6.41 2.33 1.57 -1.19 -3.44 116.57 109.43 1p4r h LYS 530 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1p4r h LYS 530 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1p4r h LYS 530 CO 0.04 0.00 0.79 -1.17 -0.57 0.00 0.00 179.45 178.55 1p4r s LEU 531 N -5.19 4.33 0.35 2.94 2.96 -0.93 -4.99 118.68 118.15 1p4r s LEU 531 Ca 0.04 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 1p4r s LEU 531 Cb 0.09 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.21 1p4r s LEU 531 CO 0.48 -0.69 0.45 0.42 -1.32 0.00 0.00 176.35 175.69 1p4r s THR 532 N 2.07 0.00 -1.57 3.68 -4.23 -1.26 -3.46 115.64 110.86 1p4r s THR 532 Ca 0.64 -1.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.35 1p4r s THR 532 Cb -0.32 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 70.96 1p4r s THR 532 CO 0.27 0.00 0.73 -0.62 -0.54 0.00 0.00 174.62 174.46 1p4r n GLU 533 N -0.60 -3.80 -3.78 3.99 1.02 -1.10 -4.92 120.64 111.45 1p4r n GLU 533 Ca 0.02 0.44 -0.36 0.00 -0.02 0.00 0.00 57.16 57.24 1p4r n GLU 533 Cb 0.61 -5.04 -0.06 0.00 -0.02 0.00 0.00 31.44 26.94 1p4r n GLU 533 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1p4r s VAL 534 N -3.48 5.36 -0.00 2.62 1.01 0.73 -4.86 120.40 121.77 1p4r s VAL 534 Ca 0.50 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1p4r s VAL 534 Cb -0.27 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1p4r s VAL 534 CO 0.89 0.51 0.06 -0.44 0.00 0.00 0.00 175.10 176.12 1p4r s SER 535 N -1.31 5.53 -0.00 3.32 0.01 -0.30 -1.18 113.70 119.76 1p4r s SER 535 Ca 0.21 0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.62 1p4r s SER 535 Cb -0.13 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.53 1p4r s SER 535 CO 0.10 0.27 -0.15 -0.63 0.41 0.00 0.00 173.24 173.25 1p4r s ILE 536 N -1.17 1.17 -0.01 1.44 1.01 0.21 0.23 121.20 124.07 1p4r s ILE 536 Ca 0.22 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1p4r s ILE 536 Cb -0.12 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1p4r s ILE 536 CO 0.13 0.28 -0.13 -0.55 0.00 0.00 0.00 174.94 174.67 1p4r s SER 537 N -0.48 1.58 -0.06 3.58 0.15 -0.41 -0.31 113.70 117.75 1p4r s SER 537 Ca 0.05 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1p4r s SER 537 Cb -0.06 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1p4r s SER 537 CO -0.00 0.15 -0.21 -0.55 1.20 0.00 0.00 173.24 173.83 1p4r s SER 538 N -0.24 2.63 0.00 5.45 0.15 -0.30 -1.01 113.70 120.38 1p4r s SER 538 Ca 0.04 -0.44 0.19 0.00 0.70 0.00 0.00 55.95 56.43 1p4r s SER 538 Cb -0.06 -0.83 0.80 0.00 -1.71 0.00 0.00 66.02 64.22 1p4r s SER 538 CO -0.00 0.18 1.60 -0.90 1.20 0.00 0.00 173.24 175.32 1p4r n ASP 539 N 3.17 0.00 -4.11 5.45 3.85 -0.88 -4.30 116.55 119.72 1p4r n ASP 539 Ca -0.18 0.49 -0.11 0.00 -0.71 0.00 0.00 54.79 54.28 1p4r n ASP 539 Cb 0.52 -0.50 -0.08 0.00 -1.35 0.00 0.00 41.12 39.72 1p4r n ASP 539 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1p4r s ALA 540 N -2.99 0.57 0.84 2.12 0.00 -1.26 -0.38 121.76 120.66 1p4r s ALA 540 Ca 0.09 -1.35 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1p4r s ALA 540 Cb 0.12 1.25 0.10 0.00 0.00 0.00 0.00 23.12 24.59 1p4r s ALA 540 CO 0.34 -0.70 1.09 -0.59 0.00 0.00 0.00 175.76 175.90 1p4r s PHE 541 N -4.10 2.55 -0.27 0.00 -0.12 -1.24 -4.27 117.98 110.53 1p4r s PHE 541 Ca 0.32 1.25 -0.17 0.00 -0.05 0.00 0.00 56.93 58.28 1p4r s PHE 541 Cb 0.04 -3.13 -0.03 0.00 -0.63 0.00 0.00 43.02 39.27 1p4r s PHE 541 CO 0.11 -2.08 0.48 -0.06 -0.05 0.00 0.00 175.22 173.62 1p4r s PHE 542 N -3.01 3.25 -1.76 3.49 0.08 -1.26 -4.94 117.98 113.83 1p4r s PHE 542 Ca 0.62 0.53 0.31 0.00 0.12 0.00 0.00 56.93 58.51 1p4r s PHE 542 Cb -0.16 -2.72 1.60 0.00 -0.57 0.00 0.00 43.02 41.17 1p4r s PHE 542 CO 0.56 -0.30 2.07 -0.35 -0.10 0.00 0.00 175.22 177.10 1p4r n PRO 543 N 5.52 0.78 -3.65 0.24 -0.04 -1.26 -4.67 135.00 131.92 1p4r n PRO 543 Ca -0.05 -0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1p4r n PRO 543 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 1p4r n PRO 543 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1p4r s PHE 544 N -2.29 -0.20 -0.63 0.54 0.08 -1.26 -4.73 117.98 109.49 1p4r s PHE 544 Ca 0.37 -0.06 0.25 0.00 0.12 0.00 0.00 56.93 57.61 1p4r s PHE 544 Cb 0.21 0.23 0.59 0.00 -0.57 0.00 0.00 43.02 43.48 1p4r s PHE 544 CO 0.42 -0.66 1.62 0.07 -0.10 0.00 0.00 175.22 176.57 1p4r h ARG 545 N 2.54 0.00 -0.12 0.44 0.11 -1.91 -3.33 114.38 112.11 1p4r h ARG 545 Ca -0.33 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.78 1p4r h ARG 545 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1p4r h ARG 545 CO 0.47 0.00 0.30 0.38 0.10 0.00 0.00 179.97 181.22 1p4r h ASP 546 N 0.00 0.00 -0.44 0.08 3.04 -1.99 0.24 116.42 117.35 1p4r h ASP 546 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 1p4r h ASP 546 Cb 0.80 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.08 1p4r h ASP 546 CO 0.00 0.00 -0.28 0.78 -2.04 0.00 0.00 179.24 177.70 1p4r h ASN 547 N 0.00 1.01 -0.28 4.15 2.35 -1.96 -1.99 115.58 118.86 1p4r h ASN 547 Ca 0.06 -0.41 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 1p4r h ASN 547 Cb 0.66 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1p4r h ASN 547 CO -0.00 1.21 -0.02 0.58 -1.65 0.00 0.00 177.43 177.55 1p4r h VAL 548 N 0.82 1.26 -0.32 2.81 2.07 -0.81 -1.00 116.25 121.08 1p4r h VAL 548 Ca 0.09 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1p4r h VAL 548 Cb 0.86 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1p4r h VAL 548 CO 0.08 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.42 1p4r h ASP 549 N 0.29 -0.12 0.14 0.57 3.32 -1.31 0.20 116.42 119.51 1p4r h ASP 549 Ca 0.08 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1p4r h ASP 549 Cb 0.46 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1p4r h ASP 549 CO 0.02 -0.03 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.10 1p4r h ARG 550 N 0.10 0.27 -0.19 3.56 9.65 -1.31 -2.86 114.38 123.59 1p4r h ARG 550 Ca 0.15 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1p4r h ARG 550 Cb 0.20 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1p4r h ARG 550 CO -0.25 0.57 0.11 0.00 2.80 0.00 0.00 179.97 183.19 1p4r h ALA 551 N 1.43 0.25 -0.94 2.80 0.00 -0.21 -2.68 119.26 119.91 1p4r h ALA 551 Ca 0.03 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.11 1p4r h ALA 551 Cb 0.69 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1p4r h ALA 551 CO 0.05 -0.23 0.62 -0.22 0.00 0.00 0.00 179.25 179.48 1p4r h LYS 552 N 0.22 0.35 0.00 0.00 1.63 -0.76 -0.50 116.57 117.51 1p4r h LYS 552 Ca 0.07 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1p4r h LYS 552 Cb 0.05 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1p4r h LYS 552 CO -0.01 0.23 0.00 0.00 -3.45 0.00 0.00 179.45 176.22 1p4r h ARG 553 N 0.36 0.00 -1.43 1.90 3.08 -1.43 -3.13 114.38 113.73 1p4r h ARG 553 Ca 0.49 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.96 1p4r h ARG 553 Cb 1.31 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.95 1p4r h ARG 553 CO -0.18 0.00 -0.72 0.43 -1.07 0.00 0.00 179.97 178.43 1p4r n SER 554 N -2.66 4.77 -2.53 7.04 7.64 -0.21 -4.82 113.62 122.85 1p4r n SER 554 Ca 0.01 -3.72 -0.18 0.00 1.01 0.00 0.00 58.87 55.98 1p4r n SER 554 Cb 0.22 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1p4r n SER 554 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4r n GLY 555 N -0.51 -0.50 3.66 0.23 0.00 -1.18 -4.83 105.19 102.06 1p4r n GLY 555 Ca 0.40 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1p4r n GLY 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p4r s VAL 556 N -2.89 4.94 -0.07 1.61 1.01 -1.16 -0.19 120.40 123.66 1p4r s VAL 556 Ca 0.05 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1p4r s VAL 556 Cb -0.03 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 1p4r s VAL 556 CO 0.07 0.06 0.20 0.00 0.00 0.00 0.00 175.10 175.42 1p4r n ALA 557 N 5.19 2.41 -3.25 5.51 0.00 -0.33 -4.56 120.51 125.48 1p4r n ALA 557 Ca 0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 1p4r n ALA 557 Cb 0.49 -0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.52 1p4r n ALA 557 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1p4r s TYR 558 N -2.41 0.51 0.01 0.00 1.51 -1.14 -0.84 117.35 114.99 1p4r s TYR 558 Ca -0.02 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 1p4r s TYR 558 Cb 0.05 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 1p4r s TYR 558 CO 0.32 -0.09 -0.15 0.42 -1.11 0.00 0.00 175.55 174.95 1p4r s ILE 559 N 0.45 1.17 -0.13 2.71 1.01 0.09 -0.62 121.20 125.88 1p4r s ILE 559 Ca -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1p4r s ILE 559 Cb -0.09 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1p4r s ILE 559 CO -0.00 0.20 -0.17 0.00 0.00 0.00 0.00 174.94 174.96 1p4r s ALA 560 N -0.55 1.96 -0.11 9.38 0.00 0.57 -0.49 121.76 132.51 1p4r s ALA 560 Ca 0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1p4r s ALA 560 Cb -0.07 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.15 1p4r s ALA 560 CO 0.00 -0.17 0.65 0.00 0.00 0.00 0.00 175.76 176.24 1p4r s ALA 561 N 1.09 -1.66 0.70 0.00 0.00 -0.90 -1.16 121.76 119.84 1p4r s ALA 561 Ca -0.03 1.43 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 1p4r s ALA 561 Cb -0.14 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1p4r s ALA 561 CO -0.05 -0.34 1.19 -2.14 0.00 0.00 0.00 175.76 174.42 1p4r s PRO 562 N -0.69 2.35 0.59 0.00 0.02 -1.26 -1.04 135.00 134.96 1p4r s PRO 562 Ca -0.08 1.70 0.09 0.00 0.02 0.00 0.00 61.00 62.73 1p4r s PRO 562 Cb -0.02 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.72 1p4r s PRO 562 CO 0.07 -1.66 0.71 -1.54 -0.33 0.00 0.00 177.00 174.24 1p4r s SER 563 N -2.07 4.89 0.00 2.53 1.04 -0.95 -3.67 113.70 115.47 1p4r s SER 563 Ca 0.73 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1p4r s SER 563 Cb -0.28 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1p4r s SER 563 CO 0.43 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1p4r n GLY 564 N -2.17 0.36 3.89 7.32 0.00 -1.26 -4.77 105.19 108.57 1p4r n GLY 564 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1p4r n GLY 564 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4r s SER 565 N -0.70 6.12 0.34 1.61 0.15 -1.26 -4.96 113.70 115.00 1p4r s SER 565 Ca 0.00 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.05 1p4r s SER 565 Cb 0.00 -1.80 1.08 0.00 -1.71 0.00 0.00 66.02 63.59 1p4r s SER 565 CO 0.00 0.11 1.79 0.00 1.20 0.00 0.00 173.24 176.34 1p4r h ALA 566 N 2.64 1.00 -0.51 5.45 0.00 -1.94 -0.53 119.26 125.36 1p4r h ALA 566 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p4r h ALA 566 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1p4r h ALA 566 CO 0.70 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1p4r n ALA 567 N -1.86 2.41 0.02 0.00 0.00 -1.26 -4.50 120.51 115.33 1p4r n ALA 567 Ca 0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 1p4r n ALA 567 Cb 0.26 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 1p4r n ALA 567 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p4r h ASP 568 N 3.99 -1.34 -0.27 0.00 5.19 -1.36 0.24 116.42 122.88 1p4r h ASP 568 Ca 0.00 0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1p4r h ASP 568 Cb 0.90 0.53 -0.06 0.00 0.18 0.00 0.00 39.33 40.88 1p4r h ASP 568 CO 0.00 -0.45 -0.14 0.11 -3.12 0.00 0.00 179.24 175.64 1p4r h LYS 569 N -0.53 -0.11 -0.74 3.56 6.56 -1.80 -0.31 116.57 123.19 1p4r h LYS 569 Ca 0.06 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1p4r h LYS 569 Cb 0.64 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.29 1p4r h LYS 569 CO -0.37 -0.07 0.45 0.28 -2.06 0.00 0.00 179.45 177.68 1p4r h VAL 570 N -0.11 1.21 -0.18 0.50 2.07 -1.75 -1.93 116.25 116.06 1p4r h VAL 570 Ca 0.14 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1p4r h VAL 570 Cb 0.33 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1p4r h VAL 570 CO -0.34 0.22 -0.18 0.58 0.02 0.00 0.00 177.57 177.87 1p4r h VAL 571 N 1.02 1.22 -0.19 2.57 2.07 -0.00 -2.16 116.25 120.77 1p4r h VAL 571 Ca 0.27 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1p4r h VAL 571 Cb -0.04 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1p4r h VAL 571 CO -0.05 0.30 -0.02 0.40 0.02 0.00 0.00 177.57 178.22 1p4r h ILE 572 N 0.28 1.27 -0.74 4.57 2.04 -0.50 -2.66 117.51 121.77 1p4r h ILE 572 Ca 0.05 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1p4r h ILE 572 Cb 0.48 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1p4r h ILE 572 CO 0.03 0.29 0.44 -0.33 0.00 0.00 0.00 178.15 178.57 1p4r h GLU 573 N 0.09 0.78 -0.81 2.37 5.08 -1.14 -0.37 114.58 120.59 1p4r h GLU 573 Ca 0.05 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1p4r h GLU 573 Cb 0.44 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1p4r h GLU 573 CO 0.01 0.52 0.53 0.00 -1.00 0.00 0.00 179.01 179.07 1p4r h ALA 574 N 1.36 1.63 -0.08 3.43 0.00 -1.23 0.80 119.26 125.17 1p4r h ALA 574 Ca 0.32 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1p4r h ALA 574 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1p4r h ALA 574 CO -0.17 0.24 -0.66 0.00 0.00 0.00 0.00 179.25 178.66 1p4r h ASP 576 N 0.23 0.08 -0.86 0.00 3.32 0.59 0.59 116.42 120.37 1p4r h ASP 576 Ca -0.02 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 56.77 1p4r h ASP 576 Cb 1.20 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1p4r h ASP 576 CO 0.11 0.38 0.54 -0.33 -1.72 0.00 0.00 179.24 178.21 1p4r h GLU 577 N -0.23 0.96 -0.38 3.56 5.08 0.62 -2.94 114.58 121.25 1p4r h GLU 577 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1p4r h GLU 577 Cb 0.34 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1p4r h GLU 577 CO 0.00 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 179.93 1p4r n LEU 578 N -4.61 2.69 -1.82 1.33 4.77 -0.23 -4.95 117.00 114.18 1p4r n LEU 578 Ca 0.12 -1.23 -0.11 0.00 -0.03 0.00 0.00 56.01 54.76 1p4r n LEU 578 Cb 0.16 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1p4r n LEU 578 CO 0.32 0.61 0.06 0.61 -1.33 0.00 0.00 177.39 177.66 1p4r n GLY 579 N 1.33 0.15 3.35 -0.72 0.00 -0.73 -5.02 105.19 103.54 1p4r n GLY 579 Ca 0.18 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1p4r n GLY 579 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4r s ILE 580 N -3.00 3.09 0.11 -0.61 1.01 0.20 -4.86 121.20 117.14 1p4r s ILE 580 Ca 0.22 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1p4r s ILE 580 Cb -0.10 -2.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 1p4r s ILE 580 CO 0.27 0.50 1.02 -0.63 0.00 0.00 0.00 174.94 176.11 1p4r s ILE 581 N 0.66 4.33 -0.14 2.92 1.01 -0.02 -4.29 121.20 125.67 1p4r s ILE 581 Ca -0.06 1.89 -0.00 0.00 0.00 0.00 0.00 60.65 62.48 1p4r s ILE 581 Cb -0.15 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1p4r s ILE 581 CO 0.02 0.27 -0.11 -0.22 0.00 0.00 0.00 174.94 174.91 1p4r s LEU 582 N 0.13 1.51 -0.32 2.97 2.96 -1.26 -0.73 118.68 123.94 1p4r s LEU 582 Ca 0.49 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 1p4r s LEU 582 Cb -0.25 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 1p4r s LEU 582 CO 0.31 -0.10 0.37 0.00 -1.32 0.00 0.00 176.35 175.61 1p4r s ALA 583 N 1.58 3.51 -0.17 5.97 0.00 0.35 -0.93 121.76 132.07 1p4r s ALA 583 Ca 0.04 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1p4r s ALA 583 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1p4r s ALA 583 CO -0.09 -0.94 0.54 -1.01 0.00 0.00 0.00 175.76 174.26 1p4r s HIS 584 N 2.05 3.42 0.46 0.00 3.76 -0.86 -2.12 115.29 122.00 1p4r s HIS 584 Ca 0.13 0.86 0.07 0.00 -0.15 0.00 0.00 55.06 55.98 1p4r s HIS 584 Cb -0.16 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 30.85 1p4r s HIS 584 CO 0.11 -0.04 0.43 0.95 -0.85 0.00 0.00 174.74 175.34 1p4r s THR 585 N 1.40 2.36 -1.04 1.30 -4.23 -0.21 -4.50 115.64 110.73 1p4r s THR 585 Ca 0.26 -1.34 0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1p4r s THR 585 Cb -0.16 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.17 1p4r s THR 585 CO 0.10 0.00 1.05 -0.46 -0.54 0.00 0.00 174.62 174.77 1p4r n ASN 586 N -1.67 2.40 -4.26 3.99 0.23 -1.26 -2.23 115.26 112.45 1p4r n ASN 586 Ca 0.04 -1.74 -0.38 0.00 -0.53 0.00 0.00 54.58 51.97 1p4r n ASN 586 Cb 0.62 -0.12 -0.12 0.00 -2.08 0.00 0.00 39.78 38.09 1p4r n ASN 586 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1p4r s LEU 587 N -0.93 4.47 0.15 -4.53 2.96 -1.26 -5.04 118.68 114.49 1p4r s LEU 587 Ca 0.17 -1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 52.60 1p4r s LEU 587 Cb 0.10 -1.88 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 1p4r s LEU 587 CO 0.14 -0.36 0.71 -0.60 -1.32 0.00 0.00 176.35 174.92 1p4r s ARG 588 N 1.38 4.44 -0.32 1.98 3.52 -1.26 -4.68 118.95 124.02 1p4r s ARG 588 Ca -0.01 1.02 0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1p4r s ARG 588 Cb -0.20 -3.22 0.46 0.00 -1.56 0.00 0.00 34.95 30.42 1p4r s ARG 588 CO 0.02 0.58 1.17 1.28 -0.81 0.00 0.00 175.30 177.54 1p4r n LEU 589 N 1.55 4.65 -4.77 -0.88 4.77 0.49 -5.05 117.00 117.77 1p4r n LEU 589 Ca -0.07 -4.72 -0.40 0.00 -0.03 0.00 0.00 56.01 50.79 1p4r n LEU 589 Cb 0.49 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1p4r n LEU 589 CO 0.45 2.06 1.05 -0.36 -1.33 0.00 0.00 177.39 179.26 1p4r s PHE 590 N -3.59 2.51 -0.03 -1.77 0.08 -1.26 -4.54 117.98 109.38 1p4r s PHE 590 Ca 0.49 1.28 -0.01 0.00 0.12 0.00 0.00 56.93 58.81 1p4r s PHE 590 Cb 0.40 -3.88 0.03 0.00 -0.57 0.00 0.00 43.02 39.00 1p4r s PHE 590 CO -0.01 -2.81 0.07 -1.58 -0.10 0.00 0.00 175.22 170.79 1p4r s HIS 591 N -1.21 -0.04 0.00 0.36 5.65 -1.26 -5.00 115.29 113.79 1p4r s HIS 591 Ca 0.60 0.24 0.00 0.00 0.25 0.00 0.00 55.06 56.15 1p4r s HIS 591 Cb -0.43 -0.16 0.00 0.00 -1.18 0.00 0.00 32.58 30.81 1p4r s HIS 591 CO 0.55 -0.11 0.00 0.72 -0.65 0.00 0.00 174.74 175.26