#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4r s ILE 8 N 0.00 2.85 -0.17 4.25 -5.25 -1.26 -4.99 121.20 116.63 2j4r s ILE 8 Ca 0.00 0.36 -0.02 0.00 -0.99 0.00 0.00 60.65 60.00 2j4r s ILE 8 Cb 0.00 -3.23 -0.01 0.00 2.95 0.00 0.00 42.46 42.17 2j4r s ILE 8 CO 0.00 0.00 -0.09 -0.32 -1.79 0.00 0.00 174.94 172.75 2j4r s MET 9 N 2.52 3.40 -0.01 0.37 1.75 -1.21 -4.95 119.30 121.17 2j4r s MET 9 Ca 0.75 -0.65 -0.00 0.00 -1.25 0.00 0.00 55.69 54.55 2j4r s MET 9 Cb -0.42 -2.82 -0.04 0.00 2.84 0.00 0.00 34.83 34.39 2j4r s MET 9 CO 0.33 0.02 0.06 1.03 -0.65 0.00 0.00 175.02 175.81 2j4r s ARG 10 N 0.87 3.00 0.18 4.11 0.52 -1.26 -0.52 118.95 125.86 2j4r s ARG 10 Ca -0.02 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2j4r s ARG 10 Cb -0.15 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 2j4r s ARG 10 CO 0.01 0.65 0.00 0.14 0.02 0.00 0.00 175.30 176.12 2j4r s VAL 11 N -1.14 0.75 0.02 3.52 -7.23 0.81 -2.61 120.40 114.52 2j4r s VAL 11 Ca 0.21 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 2j4r s VAL 11 Cb -0.12 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2j4r s VAL 11 CO 0.12 -0.44 0.39 0.00 -0.31 0.00 0.00 175.10 174.86 2j4r s ALA 12 N -3.61 -0.95 0.04 1.32 0.00 -0.92 0.24 121.76 117.88 2j4r s ALA 12 Ca 0.25 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2j4r s ALA 12 Cb 0.06 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2j4r s ALA 12 CO 0.05 -0.39 -0.10 -1.54 0.00 0.00 0.00 175.76 173.77 2j4r s SER 13 N -1.78 1.21 -0.11 0.00 1.04 -0.38 -2.55 113.70 111.12 2j4r s SER 13 Ca -0.08 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2j4r s SER 13 Cb -0.02 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.11 2j4r s SER 13 CO 0.00 -0.09 0.00 -0.63 0.98 0.00 0.00 173.24 173.50 2j4r s ILE 14 N -1.11 0.52 -0.25 -1.02 1.01 -0.79 -1.05 121.20 118.51 2j4r s ILE 14 Ca -0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2j4r s ILE 14 Cb -0.09 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 2j4r s ILE 14 CO 0.01 0.13 0.09 -0.62 0.00 0.00 0.00 174.94 174.55 2j4r s ASP 15 N 1.90 5.31 -0.61 3.58 2.15 0.15 -1.24 116.67 127.90 2j4r s ASP 15 Ca 0.03 -0.16 -0.16 0.00 0.43 0.00 0.00 52.55 52.69 2j4r s ASP 15 Cb -0.14 -1.96 0.15 0.00 -0.30 0.00 0.00 42.92 40.67 2j4r s ASP 15 CO -0.06 -0.03 0.57 -0.63 -0.17 0.00 0.00 175.17 174.85 2j4r s ILE 16 N 1.58 5.28 0.25 4.11 1.01 0.01 -0.72 121.20 132.72 2j4r s ILE 16 Ca 0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.00 2j4r s ILE 16 Cb -0.15 -4.38 0.05 0.00 0.01 0.00 0.00 42.46 38.00 2j4r s ILE 16 CO 0.05 -0.92 0.34 0.61 0.00 0.00 0.00 174.94 175.02 2j4r n GLY 17 N 4.98 -0.44 0.08 6.18 0.00 0.17 -2.33 105.19 113.82 2j4r n GLY 17 Ca -0.08 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.27 2j4r n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j4r n SER 18 N -3.13 0.62 0.00 1.61 3.41 -1.26 -4.25 113.62 110.62 2j4r n SER 18 Ca 0.05 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2j4r n SER 18 Cb 0.16 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2j4r n SER 18 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2j4r n ASN 19 N -2.08 1.24 -4.44 4.04 2.85 -1.26 0.65 115.26 116.27 2j4r n ASN 19 Ca 0.06 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.31 2j4r n ASN 19 Cb 0.41 0.16 -0.10 0.00 1.24 0.00 0.00 39.78 41.49 2j4r n ASN 19 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2j4r s SER 20 N -1.20 2.74 -0.07 1.20 0.15 -1.26 -1.23 113.70 114.02 2j4r s SER 20 Ca 0.00 -1.23 0.01 0.00 0.70 0.00 0.00 55.95 55.43 2j4r s SER 20 Cb 0.00 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2j4r s SER 20 CO 0.00 -0.39 -0.08 -0.69 1.20 0.00 0.00 173.24 173.28 2j4r s VAL 21 N -3.05 0.85 0.03 4.45 1.01 -0.02 0.44 120.40 124.11 2j4r s VAL 21 Ca 0.31 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2j4r s VAL 21 Cb 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2j4r s VAL 21 CO 0.13 0.31 -0.18 -0.13 0.00 0.00 0.00 175.10 175.22 2j4r s ARG 22 N 1.08 1.28 0.01 2.72 0.52 0.11 -1.36 118.95 123.30 2j4r s ARG 22 Ca -0.08 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.38 2j4r s ARG 22 Cb -0.14 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 2j4r s ARG 22 CO -0.01 0.34 -0.21 -1.17 0.02 0.00 0.00 175.30 174.27 2j4r s LEU 23 N -1.01 2.10 -0.29 2.53 2.96 -0.24 -0.68 118.68 124.06 2j4r s LEU 23 Ca 0.06 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2j4r s LEU 23 Cb -0.08 -1.04 0.16 0.00 0.50 0.00 0.00 46.19 45.73 2j4r s LEU 23 CO 0.01 0.21 0.40 -0.89 -1.32 0.00 0.00 176.35 174.77 2j4r s THR 24 N -0.65 -0.62 -0.15 3.68 2.01 -0.21 -2.12 115.64 117.58 2j4r s THR 24 Ca 0.08 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2j4r s THR 24 Cb -0.08 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2j4r s THR 24 CO 0.01 -0.29 0.19 0.27 -0.69 0.00 0.00 174.62 174.10 2j4r s ILE 25 N 2.53 5.39 0.31 1.82 -0.00 -1.19 -1.24 121.20 128.83 2j4r s ILE 25 Ca 0.10 0.32 0.03 0.00 -0.00 0.00 0.00 60.65 61.10 2j4r s ILE 25 Cb -0.13 -3.50 -0.02 0.00 -0.00 0.00 0.00 42.46 38.81 2j4r s ILE 25 CO -0.30 0.50 0.31 0.00 -0.00 0.00 0.00 174.94 175.44 2j4r s ALA 26 N -0.16 1.47 0.14 2.27 0.00 0.67 -2.08 121.76 124.07 2j4r s ALA 26 Ca 0.13 -1.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.04 2j4r s ALA 26 Cb -0.12 1.39 0.04 0.00 0.00 0.00 0.00 23.12 24.43 2j4r s ALA 26 CO 0.02 -0.69 0.46 1.14 0.00 0.00 0.00 175.76 176.70 2j4r s GLN 27 N -3.47 1.16 -0.20 0.00 0.00 -1.13 0.28 119.66 116.31 2j4r s GLN 27 Ca 0.38 -0.68 -0.03 0.00 -0.00 0.00 0.00 55.36 55.03 2j4r s GLN 27 Cb 0.02 0.50 -0.01 0.00 0.00 0.00 0.00 33.01 33.53 2j4r s GLN 27 CO 0.23 -0.48 -0.06 0.42 0.00 0.00 0.00 175.29 175.41 2j4r s ILE 28 N -3.80 3.32 0.00 3.63 1.09 0.33 -2.60 121.20 123.16 2j4r s ILE 28 Ca 0.03 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2j4r s ILE 28 Cb 0.01 -2.49 0.00 0.00 -1.06 0.00 0.00 42.46 38.92 2j4r s ILE 28 CO -0.11 0.45 0.00 2.29 -0.10 0.00 0.00 174.94 177.47 2j4r n LYS 29 N 4.52 0.00 0.01 2.79 2.85 -0.69 -3.32 118.16 124.32 2j4r n LYS 29 Ca -0.18 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.07 2j4r n LYS 29 Cb 0.51 -0.26 -0.00 0.00 -0.65 0.00 0.00 35.03 34.63 2j4r n LYS 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2j4r n ASP 30 N 0.00 0.49 -0.02 -5.58 8.00 -1.26 -4.61 116.55 113.58 2j4r n ASP 30 Ca 0.00 0.07 0.01 0.00 0.71 0.00 0.00 54.79 55.58 2j4r n ASP 30 Cb 0.00 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 2j4r n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4r n GLY 31 N 3.04 -0.37 3.85 0.44 0.00 -1.26 -5.04 105.19 105.85 2j4r n GLY 31 Ca -0.01 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2j4r n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4r s LYS 32 N -2.42 4.00 -0.08 1.61 -0.14 -1.26 -5.09 119.74 116.37 2j4r s LYS 32 Ca -0.03 0.56 0.05 0.00 -1.36 0.00 0.00 55.97 55.19 2j4r s LYS 32 Cb 0.04 -2.76 -0.00 0.00 -1.68 0.00 0.00 37.83 33.43 2j4r s LYS 32 CO 0.33 0.36 -0.24 -1.17 -0.76 0.00 0.00 175.35 173.87 2j4r s LEU 33 N -2.35 2.07 0.01 3.17 2.96 -1.26 -1.71 118.68 121.57 2j4r s LEU 33 Ca 0.44 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2j4r s LEU 33 Cb -0.14 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 2j4r s LEU 33 CO 0.20 0.19 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.46 2j4r s SER 34 N 0.16 0.16 -0.14 3.68 1.04 -1.07 -4.99 113.70 112.54 2j4r s SER 34 Ca -0.13 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 55.71 2j4r s SER 34 Cb -0.16 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 2j4r s SER 34 CO 0.07 -0.21 0.82 -0.63 0.98 0.00 0.00 173.24 174.27 2j4r s ILE 35 N -1.01 4.91 -0.64 -1.02 1.01 -1.26 -2.84 121.20 120.34 2j4r s ILE 35 Ca -0.11 1.63 0.18 0.00 0.00 0.00 0.00 60.65 62.35 2j4r s ILE 35 Cb -0.07 -4.13 -0.22 0.00 0.01 0.00 0.00 42.46 38.05 2j4r s ILE 35 CO -0.01 0.08 0.67 2.30 0.00 0.00 0.00 174.94 177.98 2j4r n ILE 36 N 4.51 0.00 -3.61 2.92 -5.35 -0.88 -5.01 119.36 111.93 2j4r n ILE 36 Ca 0.04 -0.16 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 2j4r n ILE 36 Cb 0.49 0.77 -0.06 0.00 -1.74 0.00 0.00 39.64 39.10 2j4r n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2j4r s LEU 37 N -3.21 -0.29 -0.20 7.28 2.96 -1.23 -5.03 118.68 118.95 2j4r s LEU 37 Ca 0.03 0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2j4r s LEU 37 Cb 0.13 1.63 0.08 0.00 0.50 0.00 0.00 46.19 48.53 2j4r s LEU 37 CO 0.75 -0.19 0.16 -1.61 -1.32 0.00 0.00 176.35 174.13 2j4r s GLU 38 N -0.58 0.14 0.19 1.98 2.02 -1.26 -3.14 118.70 118.04 2j4r s GLU 38 Ca 0.03 -0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.09 2j4r s GLU 38 Cb -0.02 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 2j4r s GLU 38 CO -0.05 -0.72 -0.09 0.50 0.02 0.00 0.00 175.26 174.93 2j4r s ARG 39 N 2.22 2.08 -0.27 1.61 3.52 -0.90 -4.99 118.95 122.22 2j4r s ARG 39 Ca 0.05 -1.28 -0.21 0.00 -0.13 0.00 0.00 55.73 54.15 2j4r s ARG 39 Cb -0.16 -2.16 0.08 0.00 -1.56 0.00 0.00 34.95 31.15 2j4r s ARG 39 CO -0.14 0.43 0.72 0.20 -0.81 0.00 0.00 175.30 175.70 2j4r s GLY 40 N -2.90 -0.56 0.03 8.12 0.00 -1.26 -1.08 107.32 109.67 2j4r s GLY 40 Ca 0.25 2.21 0.03 0.00 0.00 0.00 0.00 44.72 47.22 2j4r s GLY 40 CO 0.16 2.01 -0.10 -1.60 0.00 0.00 0.00 173.10 173.57 2j4r s ARG 41 N 0.87 0.70 -0.23 2.90 3.52 -0.46 -4.95 118.95 121.30 2j4r s ARG 41 Ca -0.04 -0.64 -0.19 0.00 -0.13 0.00 0.00 55.73 54.73 2j4r s ARG 41 Cb -0.05 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 2j4r s ARG 41 CO -0.07 0.15 0.53 0.42 -0.81 0.00 0.00 175.30 175.52 2j4r s ILE 42 N -0.87 5.08 0.00 4.11 1.01 -1.26 -0.84 121.20 128.42 2j4r s ILE 42 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2j4r s ILE 42 Cb -0.07 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2j4r s ILE 42 CO 0.01 0.12 0.00 0.35 0.00 0.00 0.00 174.94 175.42 2j4r n THR 43 N 4.84 0.00 -3.52 2.92 -2.24 -0.56 -5.00 114.28 110.73 2j4r n THR 43 Ca -0.04 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 2j4r n THR 43 Cb 0.50 0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.87 2j4r n THR 43 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2j4r n SER 44 N -1.50 -1.96 0.32 3.42 7.64 -0.37 -4.82 113.62 116.34 2j4r n SER 44 Ca 0.00 -0.69 0.20 0.00 1.01 0.00 0.00 58.87 59.39 2j4r n SER 44 Cb 0.13 -4.76 1.10 0.00 -1.01 0.00 0.00 64.21 59.67 2j4r n SER 44 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2j4r h LEU 45 N -1.86 0.00 0.00 -3.43 5.85 -1.71 -1.60 115.31 112.57 2j4r h LEU 45 Ca -0.60 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2j4r h LEU 45 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2j4r h LEU 45 CO 0.52 0.00 -0.09 0.61 -0.34 0.00 0.00 178.44 179.14 2j4r n GLY 46 N -1.17 -1.49 3.41 3.75 0.00 0.21 -4.69 105.19 105.22 2j4r n GLY 46 Ca -0.03 -0.13 -0.60 0.00 0.00 0.00 0.00 46.02 45.26 2j4r n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2j4r n THR 47 N -1.62 0.00 -1.39 2.61 5.66 -0.61 -1.74 114.28 117.19 2j4r n THR 47 Ca 0.06 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 2j4r n THR 47 Cb 0.35 -0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2j4r n THR 47 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2j4r n LYS 48 N 2.79 -1.32 0.02 1.09 5.02 -1.26 -4.53 118.16 119.97 2j4r n LYS 48 Ca 0.25 0.58 -0.11 0.00 -2.02 0.00 0.00 58.31 57.01 2j4r n LYS 48 Cb -0.00 -4.80 -0.05 0.00 -0.02 0.00 0.00 35.03 30.15 2j4r n LYS 48 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2j4r h VAL 49 N 0.00 0.87 -0.31 -0.18 3.04 -1.48 -1.75 116.25 116.44 2j4r h VAL 49 Ca -0.21 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.54 2j4r h VAL 49 Cb 0.70 0.87 -0.05 0.00 -2.01 0.00 0.00 31.29 30.79 2j4r h VAL 49 CO 0.30 0.00 -0.02 0.50 -1.01 0.00 0.00 177.57 177.34 2j4r h LYS 50 N -0.05 0.07 -0.07 4.17 3.11 -1.88 0.96 116.57 122.87 2j4r h LYS 50 Ca 0.04 -0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.68 2j4r h LYS 50 Cb 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 2j4r h LYS 50 CO -0.09 0.05 -0.79 1.05 -2.81 0.00 0.00 179.45 176.86 2j4r h GLU 51 N 0.07 0.47 0.00 1.90 4.11 -1.95 -3.33 114.58 115.85 2j4r h GLU 51 Ca 0.15 -0.41 -0.26 0.00 0.07 0.00 0.00 59.36 58.91 2j4r h GLU 51 Cb 0.20 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2j4r h GLU 51 CO -0.26 1.05 -1.73 0.25 0.07 0.00 0.00 179.01 178.38 2j4r n THR 52 N -3.83 1.42 -2.71 -1.06 -2.24 -0.67 -4.96 114.28 100.23 2j4r n THR 52 Ca -0.05 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 2j4r n THR 52 Cb 0.74 -0.85 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 2j4r n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j4r n GLY 53 N 1.53 0.24 3.31 3.38 0.00 0.33 -5.01 105.19 108.97 2j4r n GLY 53 Ca -0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2j4r n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j4r s ARG 54 N -5.21 0.93 -0.31 1.61 3.52 -1.20 -3.29 118.95 115.01 2j4r s ARG 54 Ca 0.17 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 55.18 2j4r s ARG 54 Cb -0.07 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2j4r s ARG 54 CO 0.21 -0.33 0.19 -0.51 -0.81 0.00 0.00 175.30 174.06 2j4r s LEU 55 N -2.20 4.20 0.26 -0.88 1.02 -1.26 -4.03 118.68 115.78 2j4r s LEU 55 Ca -0.03 -0.29 -0.31 0.00 0.02 0.00 0.00 54.13 53.52 2j4r s LEU 55 Cb -0.00 -2.09 -0.12 0.00 0.02 0.00 0.00 46.19 44.00 2j4r s LEU 55 CO -0.05 -0.15 1.66 0.00 0.02 0.00 0.00 176.35 177.83 2j4r n GLN 56 N 5.05 2.77 -0.23 1.70 1.13 -1.26 -4.88 117.38 121.66 2j4r n GLN 56 Ca -0.14 0.99 -0.01 0.00 -1.94 0.00 0.00 57.00 55.91 2j4r n GLN 56 Cb 0.50 -2.81 0.11 0.00 0.11 0.00 0.00 30.24 28.15 2j4r n GLN 56 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2j4r h GLU 57 N 5.72 0.61 -0.78 -1.09 4.39 -1.99 -1.11 114.58 120.34 2j4r h GLU 57 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2j4r h GLU 57 Cb 1.21 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 2j4r h GLU 57 CO 0.87 0.41 0.42 0.38 -1.16 0.00 0.00 179.01 179.92 2j4r h ASP 58 N 0.63 0.97 -0.05 1.42 2.03 -1.98 0.23 116.42 119.67 2j4r h ASP 58 Ca 0.31 -0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.51 2j4r h ASP 58 Cb 0.25 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2j4r h ASP 58 CO -0.21 0.80 0.03 0.03 -1.03 0.00 0.00 179.24 178.85 2j4r h ARG 59 N 1.08 0.07 -0.78 4.15 2.47 -1.77 0.47 114.38 120.08 2j4r h ARG 59 Ca 0.27 -0.01 0.07 0.00 -1.26 0.00 0.00 59.98 59.05 2j4r h ARG 59 Cb 0.04 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.29 2j4r h ARG 59 CO -0.04 0.15 0.46 0.82 0.56 0.00 0.00 179.97 181.91 2j4r h ILE 60 N -0.02 0.98 0.06 2.04 2.04 -0.88 0.21 117.51 121.94 2j4r h ILE 60 Ca 0.02 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2j4r h ILE 60 Cb 0.09 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2j4r h ILE 60 CO -0.00 0.15 -0.03 -0.08 0.00 0.00 0.00 178.15 178.19 2j4r h GLU 61 N 0.82 -0.07 -0.39 2.37 4.57 0.12 -0.49 114.58 121.50 2j4r h GLU 61 Ca 0.35 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2j4r h GLU 61 Cb 0.23 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2j4r h GLU 61 CO -0.20 0.01 0.21 1.49 -1.18 0.00 0.00 179.01 179.34 2j4r h GLU 62 N -0.14 0.41 -0.15 1.92 4.81 0.69 -2.54 114.58 119.59 2j4r h GLU 62 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2j4r h GLU 62 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2j4r h GLU 62 CO 0.01 0.27 0.10 1.15 -0.73 0.00 0.00 179.01 179.81 2j4r h THR 63 N 0.42 1.05 -0.80 0.32 2.02 -0.46 -2.60 112.91 112.85 2j4r h THR 63 Ca 0.16 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.32 2j4r h THR 63 Cb 0.05 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.24 2j4r h THR 63 CO -0.10 0.04 0.47 0.40 0.37 0.00 0.00 175.52 176.70 2j4r h ILE 64 N 0.19 0.95 -0.66 3.11 2.04 -0.92 -0.06 117.51 122.15 2j4r h ILE 64 Ca 0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2j4r h ILE 64 Cb -0.01 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2j4r h ILE 64 CO -0.01 0.15 0.40 1.56 0.00 0.00 0.00 178.15 180.25 2j4r h GLN 65 N 0.81 0.90 -0.44 2.37 1.08 -1.25 -1.61 115.11 116.97 2j4r h GLN 65 Ca 0.38 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 2j4r h GLN 65 Cb 0.29 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2j4r h GLN 65 CO -0.22 0.63 0.10 0.28 -0.95 0.00 0.00 178.83 178.67 2j4r h VAL 66 N 0.90 1.24 -0.77 -0.54 2.07 -0.97 0.17 116.25 118.35 2j4r h VAL 66 Ca 0.24 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2j4r h VAL 66 Cb -0.04 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 2j4r h VAL 66 CO -0.05 0.29 0.40 -0.07 0.02 0.00 0.00 177.57 178.17 2j4r h LEU 67 N 0.58 0.53 0.04 2.57 -0.00 -0.59 0.88 115.31 119.33 2j4r h LEU 67 Ca 0.14 0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2j4r h LEU 67 Cb 0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2j4r h LEU 67 CO 0.00 0.29 -0.02 0.11 -0.00 0.00 0.00 178.44 178.82 2j4r h LYS 68 N 0.66 -0.05 -0.97 1.13 1.57 -1.06 0.32 116.57 118.17 2j4r h LYS 68 Ca 0.39 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.41 2j4r h LYS 68 Cb 0.42 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.62 2j4r h LYS 68 CO -0.28 0.28 0.53 1.49 -0.57 0.00 0.00 179.45 180.90 2j4r h GLU 69 N -0.39 0.51 0.12 3.15 4.22 0.36 -1.12 114.58 121.43 2j4r h GLU 69 Ca -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 2j4r h GLU 69 Cb 0.36 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2j4r h GLU 69 CO 0.01 0.34 -0.06 1.88 -2.18 0.00 0.00 179.01 178.99 2j4r h TYR 70 N 0.52 -0.16 -0.08 0.92 0.05 0.12 -3.11 116.97 115.24 2j4r h TYR 70 Ca 0.62 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.42 2j4r h TYR 70 Cb 1.17 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 2j4r h TYR 70 CO -0.05 0.25 0.18 -0.22 -1.05 0.00 0.00 178.16 177.27 2j4r h LYS 71 N -0.61 0.00 -0.97 4.88 3.64 0.22 0.21 116.57 123.94 2j4r h LYS 71 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2j4r h LYS 71 Cb 0.48 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2j4r h LYS 71 CO 0.03 0.00 0.64 0.87 -2.27 0.00 0.00 179.45 178.72 2j4r h LYS 72 N 0.00 1.23 0.02 1.90 1.79 -1.20 -1.76 116.57 118.55 2j4r h LYS 72 Ca 0.04 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 2j4r h LYS 72 Cb 0.40 -0.28 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2j4r h LYS 72 CO -0.00 0.81 -0.54 -0.07 -1.08 0.00 0.00 179.45 178.58 2j4r h LEU 73 N 1.26 0.44 0.00 2.94 4.07 -0.71 -2.52 115.31 120.79 2j4r h LEU 73 Ca 0.37 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2j4r h LEU 73 Cb -0.06 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.55 2j4r h LEU 73 CO -0.10 1.18 0.00 -0.38 -1.08 0.00 0.00 178.44 178.06 2j4r n ILE 74 N -4.28 0.00 -0.33 1.22 -0.00 -0.87 -1.15 119.36 113.94 2j4r n ILE 74 Ca -0.11 1.43 0.19 0.00 -0.00 0.00 0.00 62.75 64.27 2j4r n ILE 74 Cb 0.65 -2.13 0.41 0.00 -0.00 0.00 0.00 39.64 38.57 2j4r n ILE 74 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2j4r h ASP 75 N 0.00 0.55 0.03 4.38 3.32 -1.47 -0.26 116.42 122.97 2j4r h ASP 75 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2j4r h ASP 75 Cb 0.00 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 2j4r h ASP 75 CO 0.00 -0.01 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.05 2j4r h GLU 76 N 0.44 -0.54 -0.26 3.56 4.22 -0.80 0.51 114.58 121.72 2j4r h GLU 76 Ca 0.67 0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.14 2j4r h GLU 76 Cb 1.38 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2j4r h GLU 76 CO -0.54 -0.36 0.00 1.19 -2.18 0.00 0.00 179.01 177.12 2j4r n PHE 77 N -5.44 0.00 -3.65 0.92 3.01 -0.20 -4.85 117.46 107.25 2j4r n PHE 77 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.11 2j4r n PHE 77 Cb 0.36 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.74 2j4r n PHE 77 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2j4r n LYS 78 N -0.36 -0.82 -1.66 -1.08 2.85 0.18 -4.77 118.16 112.51 2j4r n LYS 78 Ca 0.00 0.09 -0.43 0.00 -1.05 0.00 0.00 58.31 56.93 2j4r n LYS 78 Cb 0.06 -3.21 -0.03 0.00 -0.65 0.00 0.00 35.03 31.21 2j4r n LYS 78 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2j4r s VAL 79 N -2.75 3.04 0.00 0.58 -7.23 -1.20 -4.85 120.40 108.00 2j4r s VAL 79 Ca 0.52 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2j4r s VAL 79 Cb -0.30 -3.04 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2j4r s VAL 79 CO 0.72 -0.02 1.47 -1.84 -0.31 0.00 0.00 175.10 175.12 2j4r n GLU 80 N 8.20 0.96 -3.16 4.82 0.28 -1.07 -4.57 120.64 126.09 2j4r n GLU 80 Ca 0.25 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.30 2j4r n GLU 80 Cb 0.43 -1.02 -0.02 0.00 1.43 0.00 0.00 31.44 32.26 2j4r n GLU 80 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2j4r s ARG 81 N 0.07 0.16 -0.04 3.44 1.81 -1.24 -5.01 118.95 118.14 2j4r s ARG 81 Ca 0.00 0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.31 2j4r s ARG 81 Cb 0.00 0.16 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 2j4r s ARG 81 CO 0.00 -0.16 -0.01 0.08 -0.68 0.00 0.00 175.30 174.52 2j4r s VAL 82 N 2.91 0.29 0.06 3.52 1.01 -1.26 -2.17 120.40 124.75 2j4r s VAL 82 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2j4r s VAL 82 Cb -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2j4r s VAL 82 CO -0.11 0.17 -0.23 -0.75 0.00 0.00 0.00 175.10 174.19 2j4r s LYS 83 N 1.03 1.47 -0.03 2.72 2.47 -1.06 -5.02 119.74 121.32 2j4r s LYS 83 Ca -0.10 -1.04 0.01 0.00 -1.56 0.00 0.00 55.97 53.28 2j4r s LYS 83 Cb -0.14 -1.64 0.03 0.00 -1.46 0.00 0.00 37.83 34.61 2j4r s LYS 83 CO -0.01 0.42 -0.01 0.00 0.16 0.00 0.00 175.35 175.90 2j4r s ALA 84 N -0.85 0.38 0.38 3.13 0.00 -1.26 -1.89 121.76 121.65 2j4r s ALA 84 Ca 0.09 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2j4r s ALA 84 Cb -0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 2j4r s ALA 84 CO 0.02 -0.06 0.04 0.14 0.00 0.00 0.00 175.76 175.90 2j4r s VAL 85 N 0.99 1.50 0.01 0.00 -7.23 -0.37 -1.12 120.40 114.18 2j4r s VAL 85 Ca -0.10 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 57.97 2j4r s VAL 85 Cb -0.14 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.99 2j4r s VAL 85 CO -0.01 0.00 0.20 0.00 -0.31 0.00 0.00 175.10 174.97 2j4r s ALA 86 N -3.02 -0.44 0.66 1.32 0.00 -0.66 -0.81 121.76 118.81 2j4r s ALA 86 Ca 0.33 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 2j4r s ALA 86 Cb 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 2j4r s ALA 86 CO 0.16 -0.28 1.27 0.99 0.00 0.00 0.00 175.76 177.90 2j4r s THR 87 N -1.80 2.13 -0.97 0.00 2.01 -0.99 -1.72 115.64 114.30 2j4r s THR 87 Ca -0.11 0.08 0.28 0.00 0.31 0.00 0.00 61.69 62.25 2j4r s THR 87 Cb -0.05 -2.95 0.21 0.00 0.01 0.00 0.00 72.50 69.73 2j4r s THR 87 CO 0.00 -0.02 1.84 -1.84 -0.69 0.00 0.00 174.62 173.91 2j4r n GLU 88 N -2.07 0.03 -0.25 4.92 0.28 -1.21 -3.18 120.64 119.15 2j4r n GLU 88 Ca 0.15 0.02 0.18 0.00 -0.16 0.00 0.00 57.16 57.35 2j4r n GLU 88 Cb 0.49 -1.53 0.49 0.00 1.43 0.00 0.00 31.44 32.31 2j4r n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2j4r h ALA 89 N 2.95 2.13 0.00 -1.84 0.00 -1.90 0.69 119.26 121.29 2j4r h ALA 89 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2j4r h ALA 89 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2j4r h ALA 89 CO 0.00 -0.42 0.00 0.44 0.00 0.00 0.00 179.25 179.27 2j4r n ILE 90 N -4.54 0.28 0.27 0.00 -6.64 -1.19 -3.13 119.36 104.41 2j4r n ILE 90 Ca 0.19 0.07 0.16 0.00 -1.77 0.00 0.00 62.75 61.41 2j4r n ILE 90 Cb 0.67 -0.71 0.65 0.00 -1.44 0.00 0.00 39.64 38.81 2j4r n ILE 90 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 2j4r h ARG 91 N 0.00 0.00 0.00 6.28 2.43 0.19 -2.62 114.38 120.66 2j4r h ARG 91 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2j4r h ARG 91 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2j4r h ARG 91 CO 0.00 0.04 0.00 0.54 -1.51 0.00 0.00 179.97 179.04 2j4r n ARG 92 N -3.15 0.60 -3.66 0.20 1.74 -1.19 -4.75 116.66 106.46 2j4r n ARG 92 Ca 0.00 0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 2j4r n ARG 92 Cb 0.32 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.19 2j4r n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2j4r s ALA 93 N -2.26 3.69 0.19 7.54 0.00 -0.99 -4.45 121.76 125.49 2j4r s ALA 93 Ca 0.32 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2j4r s ALA 93 Cb 0.17 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 21.18 2j4r s ALA 93 CO 0.34 0.26 1.85 0.87 0.00 0.00 0.00 175.76 179.08 2j4r h LYS 94 N 6.12 0.80 -0.22 0.00 1.57 -1.84 -1.20 116.57 121.81 2j4r h LYS 94 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2j4r h LYS 94 Cb 1.18 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2j4r h LYS 94 CO 0.71 0.53 0.00 0.27 -0.57 0.00 0.00 179.45 180.39 2j4r n ASN 95 N -4.67 0.22 -0.13 0.86 2.04 -1.26 -3.91 115.26 108.41 2j4r n ASN 95 Ca 0.05 -1.74 -0.09 0.00 -0.44 0.00 0.00 54.58 52.37 2j4r n ASN 95 Cb 0.04 -0.11 -0.00 0.00 -2.53 0.00 0.00 39.78 37.17 2j4r n ASN 95 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2j4r h ALA 96 N 2.52 0.51 -0.24 -2.53 0.00 -1.46 0.31 119.26 118.37 2j4r h ALA 96 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2j4r h ALA 96 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2j4r h ALA 96 CO 0.00 0.06 -0.54 0.93 0.00 0.00 0.00 179.25 179.69 2j4r h GLU 97 N 0.50 0.73 -0.53 0.00 4.39 -1.79 -1.84 114.58 116.05 2j4r h GLU 97 Ca 0.14 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.39 2j4r h GLU 97 Cb 0.09 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2j4r h GLU 97 CO -0.02 1.08 0.34 0.93 -1.16 0.00 0.00 179.01 180.19 2j4r h GLU 98 N 0.56 0.68 0.71 2.33 3.07 -1.71 0.19 114.58 120.40 2j4r h GLU 98 Ca 0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2j4r h GLU 98 Cb 1.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 2j4r h GLU 98 CO 0.11 0.45 -0.48 0.35 -1.40 0.00 0.00 179.01 178.04 2j4r h PHE 99 N 0.70 -1.29 -1.13 4.33 3.57 -0.26 -1.62 116.94 121.24 2j4r h PHE 99 Ca 0.20 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 62.04 2j4r h PHE 99 Cb -0.06 0.47 -0.13 0.00 2.79 0.00 0.00 35.95 39.02 2j4r h PHE 99 CO -0.04 -0.70 0.70 -0.07 -2.23 0.00 0.00 178.31 175.97 2j4r h LEU 100 N -1.13 0.40 0.65 0.59 4.07 -0.99 0.86 115.31 119.77 2j4r h LEU 100 Ca -0.09 0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 2j4r h LEU 100 Cb 0.92 0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.76 2j4r h LEU 100 CO 0.07 -0.09 -0.31 -0.33 -1.08 0.00 0.00 178.44 176.69 2j4r h GLU 101 N 0.25 -0.85 -0.72 1.13 4.39 -0.30 -2.64 114.58 115.85 2j4r h GLU 101 Ca 0.73 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.64 2j4r h GLU 101 Cb 1.96 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 30.70 2j4r h GLU 101 CO -0.45 -0.53 0.19 0.00 -1.16 0.00 0.00 179.01 177.06 2j4r h ARG 102 N -1.02 0.29 -0.68 2.33 3.08 0.06 0.33 114.38 118.77 2j4r h ARG 102 Ca -0.09 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2j4r h ARG 102 Cb 0.71 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2j4r h ARG 102 CO 0.15 0.19 0.45 0.28 -1.07 0.00 0.00 179.97 179.97 2j4r h VAL 103 N 0.30 1.06 0.43 2.04 2.07 -1.31 0.34 116.25 121.17 2j4r h VAL 103 Ca 0.40 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2j4r h VAL 103 Cb 0.66 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2j4r h VAL 103 CO -0.48 0.14 -0.21 0.50 0.02 0.00 0.00 177.57 177.54 2j4r h LYS 104 N 0.76 -0.56 0.14 1.57 3.64 0.03 -1.76 116.57 120.39 2j4r h LYS 104 Ca 0.28 0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.35 2j4r h LYS 104 Cb 0.16 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2j4r h LYS 104 CO -0.09 -0.36 -1.83 0.00 -2.27 0.00 0.00 179.45 174.91 2j4r h ARG 105 N -0.60 0.31 -0.43 1.90 2.47 -1.21 0.21 114.38 117.02 2j4r h ARG 105 Ca -0.06 -0.52 -0.13 0.00 -1.26 0.00 0.00 59.98 58.00 2j4r h ARG 105 Cb 0.46 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2j4r h ARG 105 CO 0.10 1.21 -0.26 0.93 0.56 0.00 0.00 179.97 182.51 2j4r h GLU 106 N 0.08 0.92 -0.00 0.04 5.08 -0.46 -3.28 114.58 116.95 2j4r h GLU 106 Ca -0.36 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2j4r h GLU 106 Cb 2.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2j4r h GLU 106 CO 0.14 1.06 -0.41 0.28 -1.00 0.00 0.00 179.01 179.08 2j4r n VAL 107 N -4.10 0.00 -3.31 3.13 0.31 -0.83 -5.01 118.33 108.52 2j4r n VAL 107 Ca -0.00 -0.30 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 2j4r n VAL 107 Cb 0.47 1.02 0.08 0.00 -0.91 0.00 0.00 33.84 34.50 2j4r n VAL 107 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j4r n GLY 108 N 1.17 -0.72 2.81 2.92 0.00 0.71 -4.98 105.19 107.10 2j4r n GLY 108 Ca 0.02 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 2j4r n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2j4r s LEU 109 N -5.83 1.02 -0.38 0.99 2.96 -0.91 -4.98 118.68 111.56 2j4r s LEU 109 Ca 0.22 0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 54.04 2j4r s LEU 109 Cb -0.03 0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.70 2j4r s LEU 109 CO 0.72 -0.13 0.51 -0.69 -1.32 0.00 0.00 176.35 175.44 2j4r s VAL 110 N 1.06 5.01 -0.24 1.68 1.01 -1.26 -3.25 120.40 124.41 2j4r s VAL 110 Ca -0.09 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 2j4r s VAL 110 Cb -0.12 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2j4r s VAL 110 CO -0.04 -0.31 0.14 -0.69 0.00 0.00 0.00 175.10 174.20 2j4r s VAL 111 N 2.39 5.09 -0.25 2.92 1.01 -1.26 -4.25 120.40 126.04 2j4r s VAL 111 Ca 0.18 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2j4r s VAL 111 Cb -0.16 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2j4r s VAL 111 CO 0.14 0.34 0.24 -0.70 0.00 0.00 0.00 175.10 175.12 2j4r s GLU 112 N 1.23 4.03 0.25 2.72 2.12 -0.27 -4.94 118.70 123.85 2j4r s GLU 112 Ca 0.06 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 2j4r s GLU 112 Cb -0.14 -3.60 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 2j4r s GLU 112 CO 0.05 -0.10 0.99 0.08 -0.54 0.00 0.00 175.26 175.75 2j4r s VAL 113 N 1.52 3.88 0.10 3.70 1.01 -1.26 -1.65 120.40 127.70 2j4r s VAL 113 Ca 0.10 1.89 0.05 0.00 0.00 0.00 0.00 61.98 64.02 2j4r s VAL 113 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2j4r s VAL 113 CO 0.08 0.45 -0.12 0.27 0.00 0.00 0.00 175.10 175.78 2j4r s ILE 114 N -1.14 1.09 0.83 2.22 -4.36 -0.70 -4.87 121.20 114.27 2j4r s ILE 114 Ca 0.42 -1.63 -0.12 0.00 -0.26 0.00 0.00 60.65 59.06 2j4r s ILE 114 Cb -0.28 -1.39 0.09 0.00 1.25 0.00 0.00 42.46 42.13 2j4r s ILE 114 CO 0.35 -0.48 1.16 0.42 0.24 0.00 0.00 174.94 176.63 2j4r s THR 115 N -2.22 2.19 0.25 8.37 -4.23 -1.26 -3.35 115.64 115.40 2j4r s THR 115 Ca 0.06 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 60.92 2j4r s THR 115 Cb -0.04 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.13 2j4r s THR 115 CO 0.01 -0.08 1.98 1.55 -0.54 0.00 0.00 174.62 177.54 2j4r h PRO 116 N -1.15 0.00 0.09 3.99 0.13 -1.99 -1.96 132.00 131.11 2j4r h PRO 116 Ca -0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 2j4r h PRO 116 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2j4r h PRO 116 CO 0.64 0.12 -1.03 0.93 -0.23 0.00 0.00 178.00 178.44 2j4r h GLU 117 N 0.00 0.54 -0.27 0.86 3.07 -1.97 -2.81 114.58 114.01 2j4r h GLU 117 Ca -0.00 -0.70 0.01 0.00 -0.50 0.00 0.00 59.36 58.17 2j4r h GLU 117 Cb 0.51 0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2j4r h GLU 117 CO 0.02 1.30 0.15 0.37 -1.40 0.00 0.00 179.01 179.44 2j4r h GLN 118 N 0.11 0.30 -0.92 2.33 5.75 -1.82 0.23 115.11 121.08 2j4r h GLN 118 Ca -0.15 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.40 2j4r h GLN 118 Cb 1.73 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 30.15 2j4r h GLN 118 CO 0.20 0.20 0.60 0.93 -2.65 0.00 0.00 178.83 178.11 2j4r h GLU 119 N 0.31 1.00 -0.38 1.69 5.08 -1.44 0.12 114.58 120.97 2j4r h GLU 119 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2j4r h GLU 119 Cb 0.01 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2j4r h GLU 119 CO -0.06 0.66 0.25 0.78 -1.00 0.00 0.00 179.01 179.64 2j4r h GLY 120 N 1.03 0.53 0.83 -3.84 0.00 -0.91 0.14 103.07 100.86 2j4r h GLY 120 Ca 0.41 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.57 2j4r h GLY 120 CO -0.16 0.19 0.26 3.21 0.00 0.00 0.00 176.54 180.04 2j4r h ARG 121 N 0.50 0.50 0.13 4.80 3.08 0.10 0.15 114.38 123.65 2j4r h ARG 121 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2j4r h ARG 121 Cb -0.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2j4r h ARG 121 CO -0.04 0.33 -0.06 1.88 -1.07 0.00 0.00 179.97 181.01 2j4r h TYR 122 N 0.52 -0.17 -0.46 3.04 0.05 -0.35 -2.31 116.97 117.30 2j4r h TYR 122 Ca 0.19 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.06 2j4r h TYR 122 Cb 0.06 0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 2j4r h TYR 122 CO -0.08 -0.08 -0.03 0.00 -1.05 0.00 0.00 178.16 176.92 2j4r h ALA 123 N 0.65 0.40 -0.87 3.88 0.00 -0.44 -1.04 119.26 121.85 2j4r h ALA 123 Ca -0.02 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.18 2j4r h ALA 123 Cb 0.16 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2j4r h ALA 123 CO 0.03 -0.41 0.46 -0.92 0.00 0.00 0.00 179.25 178.41 2j4r h TYR 124 N 0.08 0.81 -0.50 0.00 5.03 -0.80 -0.99 116.97 120.60 2j4r h TYR 124 Ca 0.23 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.51 2j4r h TYR 124 Cb 0.34 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 2j4r h TYR 124 CO -0.32 0.20 0.06 -0.07 -1.32 0.00 0.00 178.16 176.71 2j4r h LEU 125 N 0.66 0.76 -1.30 2.82 -0.00 -0.63 -1.17 115.31 116.44 2j4r h LEU 125 Ca 0.47 -0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 58.14 2j4r h LEU 125 Cb 0.65 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2j4r h LEU 125 CO -0.35 0.79 -0.09 0.00 -0.00 0.00 0.00 178.44 178.79 2j4r h ALA 126 N 1.30 1.43 0.01 1.53 0.00 -0.62 -2.58 119.26 120.33 2j4r h ALA 126 Ca 0.16 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 2j4r h ALA 126 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2j4r h ALA 126 CO 0.01 0.40 -0.89 0.28 0.00 0.00 0.00 179.25 179.05 2j4r h VAL 127 N 0.35 1.51 0.00 0.00 2.07 -0.86 -1.43 116.25 117.89 2j4r h VAL 127 Ca 0.07 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.86 2j4r h VAL 127 Cb 0.38 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2j4r h VAL 127 CO 0.02 0.78 -0.19 0.00 0.02 0.00 0.00 177.57 178.20 2j4r h ALA 128 N 0.97 1.02 0.02 1.67 0.00 -0.86 -1.77 119.26 120.31 2j4r h ALA 128 Ca -0.04 -0.17 -0.36 0.00 0.00 0.00 0.00 54.91 54.33 2j4r h ALA 128 Cb 1.53 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2j4r h ALA 128 CO 0.13 0.24 -2.26 0.98 0.00 0.00 0.00 179.25 178.34 2j4r n TYR 129 N -3.35 0.32 0.09 0.00 9.36 -1.02 -2.93 117.16 119.62 2j4r n TYR 129 Ca 0.00 0.09 0.07 0.00 3.32 0.00 0.00 57.90 61.38 2j4r n TYR 129 Cb 0.41 -1.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.05 2j4r n TYR 129 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2j4r h SER 130 N 0.01 0.00 0.00 2.98 4.64 -1.30 -3.39 113.55 116.49 2j4r h SER 130 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2j4r h SER 130 Cb 2.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 2j4r h SER 130 CO 0.01 0.24 -0.22 0.18 -0.87 0.00 0.00 176.83 176.17 2j4r n LEU 131 N -2.81 0.00 -4.27 5.97 4.77 -0.68 -4.99 117.00 115.00 2j4r n LEU 131 Ca -0.03 -0.30 -0.32 0.00 -0.03 0.00 0.00 56.01 55.33 2j4r n LEU 131 Cb 0.67 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 2j4r n LEU 131 CO 0.41 0.00 -0.32 0.29 -1.33 0.00 0.00 177.39 176.44 2j4r n LYS 132 N -0.93 -1.67 -1.36 3.23 5.02 -1.13 -4.84 118.16 116.49 2j4r n LYS 132 Ca 0.00 0.20 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 2j4r n LYS 132 Cb 0.00 -4.15 0.05 0.00 -0.02 0.00 0.00 35.03 30.91 2j4r n LYS 132 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2j4r n PRO 133 N -4.44 0.38 -4.19 1.97 -0.04 -1.26 -5.01 135.00 122.42 2j4r n PRO 133 Ca -0.21 0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 2j4r n PRO 133 Cb 0.63 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 2j4r n PRO 133 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2j4r s GLU 134 N -2.24 2.31 2.15 0.54 2.02 -1.26 -4.67 118.70 117.55 2j4r s GLU 134 Ca 0.66 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2j4r s GLU 134 Cb -0.41 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2j4r s GLU 134 CO 0.57 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.77 2j4r n GLY 135 N 0.48 -0.74 3.73 -1.39 0.00 -1.26 -4.46 105.19 101.54 2j4r n GLY 135 Ca -0.12 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2j4r n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j4r s GLU 136 N 0.00 4.49 0.10 1.61 0.41 -1.26 -4.55 118.70 119.50 2j4r s GLU 136 Ca 0.00 1.78 0.10 0.00 -0.41 0.00 0.00 54.97 56.44 2j4r s GLU 136 Cb 0.00 -3.30 -0.04 0.00 -1.78 0.00 0.00 34.13 29.01 2j4r s GLU 136 CO 0.00 -0.13 -0.24 0.08 -0.49 0.00 0.00 175.26 174.48 2j4r s VAL 137 N 0.44 2.01 -0.21 2.63 1.01 -0.70 -1.48 120.40 124.10 2j4r s VAL 137 Ca 0.55 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2j4r s VAL 137 Cb -0.30 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.36 2j4r s VAL 137 CO 0.33 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.52 2j4r s VAL 139 N 1.69 4.89 -0.41 0.00 1.01 0.34 -2.28 120.40 125.65 2j4r s VAL 139 Ca -0.03 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 2j4r s VAL 139 Cb -0.18 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 32.13 2j4r s VAL 139 CO -0.07 0.06 0.22 -0.69 0.00 0.00 0.00 175.10 174.62 2j4r s VAL 140 N 1.86 3.85 -0.68 2.92 1.01 -0.67 -0.24 120.40 128.45 2j4r s VAL 140 Ca 0.41 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.69 2j4r s VAL 140 Cb -0.17 -3.42 0.17 0.00 0.00 0.00 0.00 36.38 32.97 2j4r s VAL 140 CO 0.15 -0.52 0.59 -0.62 0.00 0.00 0.00 175.10 174.70 2j4r s ASP 141 N 1.98 6.22 -0.22 3.32 -1.08 0.10 -1.94 116.67 125.04 2j4r s ASP 141 Ca 0.03 -2.41 -0.26 0.00 -0.52 0.00 0.00 52.55 49.40 2j4r s ASP 141 Cb -0.23 -2.12 -0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2j4r s ASP 141 CO -0.00 -0.62 0.87 -1.58 0.52 0.00 0.00 175.17 174.37 2j4r s GLN 142 N 0.61 4.23 0.12 4.34 -0.44 -1.23 -1.30 119.66 125.99 2j4r s GLN 142 Ca 0.13 1.05 0.00 0.00 -2.50 0.00 0.00 55.36 54.04 2j4r s GLN 142 Cb -0.19 -3.63 -0.00 0.00 -1.64 0.00 0.00 33.01 27.56 2j4r s GLN 142 CO -0.04 -0.50 0.02 0.41 0.50 0.00 0.00 175.29 175.68 2j4r n GLY 143 N 3.60 3.96 0.18 2.59 0.00 -0.02 -4.53 105.19 110.97 2j4r n GLY 143 Ca 0.07 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 2j4r n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j4r h GLY 144 N 0.37 0.66 1.62 -0.02 0.00 -1.95 -3.33 103.07 100.42 2j4r h GLY 144 Ca -0.10 -1.09 -0.23 0.00 0.00 0.00 0.00 47.33 45.92 2j4r h GLY 144 CO 0.16 0.96 -1.23 -1.33 0.00 0.00 0.00 176.54 175.10 2j4r h GLY 145 N 0.22 0.00 -2.24 4.60 0.00 -1.92 -2.88 103.07 100.84 2j4r h GLY 145 Ca -0.09 0.00 0.33 0.00 0.00 0.00 0.00 47.33 47.58 2j4r h GLY 145 CO 0.15 0.00 0.86 -1.35 0.00 0.00 0.00 176.54 176.21 2j4r s SER 146 N -6.45 -0.02 0.02 0.19 1.04 -1.25 -3.39 113.70 103.84 2j4r s SER 146 Ca -0.01 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.31 2j4r s SER 146 Cb 0.09 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2j4r s SER 146 CO 0.82 -0.32 -0.24 -0.89 0.98 0.00 0.00 173.24 173.59 2j4r s THR 147 N -2.18 1.89 -0.08 2.02 2.01 -1.10 -0.84 115.64 117.35 2j4r s THR 147 Ca 0.23 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2j4r s THR 147 Cb 0.02 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 2j4r s THR 147 CO -0.02 0.40 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.49 2j4r s GLU 148 N -0.90 2.87 -0.23 4.92 8.01 -0.42 -0.97 118.70 131.98 2j4r s GLU 148 Ca 0.09 -0.84 -0.07 0.00 0.01 0.00 0.00 54.97 54.16 2j4r s GLU 148 Cb -0.09 -2.31 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 2j4r s GLU 148 CO 0.01 0.30 0.06 0.71 0.01 0.00 0.00 175.26 176.34 2j4r s TYR 149 N 0.07 3.10 -0.21 1.61 1.51 0.37 -0.73 117.35 123.07 2j4r s TYR 149 Ca -0.09 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2j4r s TYR 149 Cb -0.15 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2j4r s TYR 149 CO 0.06 -0.27 -0.15 0.08 -1.11 0.00 0.00 175.55 174.15 2j4r s VAL 150 N 1.36 2.20 -0.05 0.71 1.01 0.66 -1.15 120.40 125.14 2j4r s VAL 150 Ca 0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 2j4r s VAL 150 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2j4r s VAL 150 CO 0.03 0.31 0.08 -0.36 0.00 0.00 0.00 175.10 175.17 2j4r s PHE 151 N 1.23 3.34 -0.04 5.22 0.40 0.64 -0.50 117.98 128.28 2j4r s PHE 151 Ca -0.00 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.42 2j4r s PHE 151 Cb -0.16 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.63 2j4r s PHE 151 CO -0.09 0.58 0.87 0.41 0.70 0.00 0.00 175.22 177.69 2j4r n GLY 152 N 1.58 0.29 2.94 4.36 0.00 -0.92 0.15 105.19 113.58 2j4r n GLY 152 Ca -0.16 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 2j4r n GLY 152 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j4r s LYS 153 N -2.01 0.62 3.16 1.61 2.20 0.57 -1.72 119.74 124.18 2j4r s LYS 153 Ca 0.21 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 2j4r s LYS 153 Cb -0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 2j4r s LYS 153 CO -0.01 0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2j4r n GLY 154 N 3.40 2.32 1.06 5.54 0.00 -1.26 0.40 105.19 116.65 2j4r n GLY 154 Ca -0.19 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.58 2j4r n GLY 154 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j4r n TYR 155 N 14.00 0.79 -3.99 1.61 4.01 -1.26 -4.84 117.16 127.48 2j4r n TYR 155 Ca 0.00 -0.37 -0.35 0.00 -0.16 0.00 0.00 57.90 57.02 2j4r n TYR 155 Cb 0.00 -0.29 -0.13 0.00 -0.31 0.00 0.00 39.34 38.62 2j4r n TYR 155 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2j4r s LYS 156 N -1.54 3.58 -0.30 -0.72 2.20 0.16 -5.05 119.74 118.08 2j4r s LYS 156 Ca 0.19 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 2j4r s LYS 156 Cb 0.15 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2j4r s LYS 156 CO 0.05 -0.06 0.48 0.08 -0.36 0.00 0.00 175.35 175.54 2j4r s VAL 157 N 1.19 5.08 -0.08 4.02 1.01 -1.26 -0.32 120.40 130.04 2j4r s VAL 157 Ca 0.03 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 2j4r s VAL 157 Cb -0.14 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2j4r s VAL 157 CO 0.01 -0.01 0.37 0.03 0.00 0.00 0.00 175.10 175.50 2j4r h ARG 158 N 8.22 -0.15 -2.55 2.72 2.47 0.96 -3.47 114.38 122.58 2j4r h ARG 158 Ca -0.29 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.35 2j4r h ARG 158 Cb 1.14 0.03 -0.20 0.00 -1.65 0.00 0.00 29.97 29.29 2j4r h ARG 158 CO 0.72 0.09 -0.07 -2.00 0.56 0.00 0.00 179.97 179.26 2j4r s GLU 159 N -2.30 0.82 -0.09 0.04 2.12 -0.77 -4.99 118.70 113.52 2j4r s GLU 159 Ca -0.06 0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.38 2j4r s GLU 159 Cb -0.00 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.78 2j4r s GLU 159 CO 0.21 -0.23 -0.13 0.08 -0.54 0.00 0.00 175.26 174.65 2j4r s VAL 160 N -1.08 1.31 -0.07 3.70 1.01 -1.26 -0.26 120.40 123.75 2j4r s VAL 160 Ca -0.11 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.38 2j4r s VAL 160 Cb -0.03 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 2j4r s VAL 160 CO 0.06 0.40 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 2j4r s ILE 161 N 0.93 1.86 -0.24 2.22 1.09 -0.30 -4.99 121.20 121.78 2j4r s ILE 161 Ca -0.09 -0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 58.51 2j4r s ILE 161 Cb -0.15 -1.60 0.02 0.00 -1.06 0.00 0.00 42.46 39.67 2j4r s ILE 161 CO -0.00 0.52 -0.07 -0.55 -0.10 0.00 0.00 174.94 174.74 2j4r s SER 162 N 0.08 4.19 -0.17 3.58 0.15 -1.26 -0.48 113.70 119.79 2j4r s SER 162 Ca -0.09 -0.77 -0.13 0.00 0.70 0.00 0.00 55.95 55.66 2j4r s SER 162 Cb -0.15 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2j4r s SER 162 CO 0.05 -0.10 0.27 -0.76 1.20 0.00 0.00 173.24 173.90 2j4r s LEU 163 N 1.35 4.23 0.00 3.45 1.02 -0.15 -4.96 118.68 123.61 2j4r s LEU 163 Ca 0.02 0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.62 2j4r s LEU 163 Cb -0.16 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.72 2j4r s LEU 163 CO -0.05 0.10 0.81 -0.81 0.02 0.00 0.00 176.35 176.42 2j4r n PRO 164 N 3.67 0.00 -0.63 1.29 -0.04 -1.26 -2.73 135.00 135.29 2j4r n PRO 164 Ca -0.12 0.33 -0.38 0.00 -0.04 0.00 0.00 63.50 63.28 2j4r n PRO 164 Cb 0.52 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2j4r n PRO 164 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2j4r n ILE 165 N -1.31 0.00 -2.67 0.52 -6.64 -1.26 -4.75 119.36 103.24 2j4r n ILE 165 Ca 0.00 -0.05 -0.43 0.00 -1.77 0.00 0.00 62.75 60.50 2j4r n ILE 165 Cb 0.04 -1.81 -0.02 0.00 -1.44 0.00 0.00 39.64 36.41 2j4r n ILE 165 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2j4r s GLY 166 N 6.71 1.73 0.38 3.28 0.00 -1.22 -4.26 107.32 113.95 2j4r s GLY 166 Ca 0.63 0.17 0.25 0.00 0.00 0.00 0.00 44.72 45.78 2j4r s GLY 166 CO 0.30 2.16 1.51 1.39 0.00 0.00 0.00 173.10 178.46 2j4r n ILE 167 N 5.28 -0.33 0.31 0.90 2.08 -1.09 0.22 119.36 126.73 2j4r n ILE 167 Ca 0.12 1.85 -0.12 0.00 0.56 0.00 0.00 62.75 65.15 2j4r n ILE 167 Cb 0.46 -3.02 -0.06 0.00 -0.75 0.00 0.00 39.64 36.27 2j4r n ILE 167 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2j4r h VAL 168 N 0.00 0.00 -0.49 1.39 2.07 -1.89 0.05 116.25 117.37 2j4r h VAL 168 Ca 0.83 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 68.05 2j4r h VAL 168 Cb 2.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2j4r h VAL 168 CO -0.61 0.00 0.05 -0.55 0.02 0.00 0.00 177.57 176.48 2j4r h ASN 169 N -1.04 0.74 -0.20 0.57 -0.00 -1.57 0.50 115.58 114.58 2j4r h ASN 169 Ca -0.08 -0.16 -0.04 0.00 -0.00 0.00 0.00 56.30 56.02 2j4r h ASN 169 Cb 0.62 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 2j4r h ASN 169 CO 0.14 0.77 0.01 0.25 -0.00 0.00 0.00 177.43 178.60 2j4r h LEU 170 N 0.74 0.42 -0.20 6.14 5.85 -0.27 0.51 115.31 128.50 2j4r h LEU 170 Ca 0.15 -0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 2j4r h LEU 170 Cb 0.38 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2j4r h LEU 170 CO 0.01 0.48 -0.93 0.74 -0.34 0.00 0.00 178.44 178.40 2j4r h THR 171 N 0.44 1.55 -0.27 1.05 2.02 -0.06 -3.00 112.91 114.64 2j4r h THR 171 Ca 0.10 -2.85 -0.15 0.00 0.77 0.00 0.00 66.41 64.28 2j4r h THR 171 Cb 0.28 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2j4r h THR 171 CO 0.01 0.82 -0.41 -0.08 0.37 0.00 0.00 175.52 176.23 2j4r h GLU 172 N 0.07 0.75 0.14 6.66 4.22 -0.22 -2.94 114.58 123.25 2j4r h GLU 172 Ca -0.04 -0.45 -0.01 0.00 0.08 0.00 0.00 59.36 58.94 2j4r h GLU 172 Cb 1.60 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2j4r h GLU 172 CO 0.14 1.07 -0.07 1.15 -2.18 0.00 0.00 179.01 179.13 2j4r h THR 173 N 0.49 0.00 0.01 0.32 2.02 -0.96 -3.38 112.91 111.41 2j4r h THR 173 Ca 0.02 -0.02 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 2j4r h THR 173 Cb 1.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2j4r h THR 173 CO 0.09 0.00 -0.87 -0.26 0.37 0.00 0.00 175.52 174.86 2j4r h PHE 174 N -0.21 0.12 -3.56 3.16 0.04 -1.70 -3.43 116.94 111.36 2j4r h PHE 174 Ca -0.02 -0.07 -0.71 0.00 2.80 0.00 0.00 57.97 59.98 2j4r h PHE 174 Cb 0.14 -0.01 -0.20 0.00 2.20 0.00 0.00 35.95 38.08 2j4r h PHE 174 CO 0.16 0.90 -0.43 -0.06 -0.60 0.00 0.00 178.31 178.29 2j4r s PHE 175 N -3.11 3.23 -0.99 -0.55 0.08 -1.11 -4.67 117.98 110.86 2j4r s PHE 175 Ca -0.01 -0.47 0.14 0.00 0.12 0.00 0.00 56.93 56.71 2j4r s PHE 175 Cb 0.11 -2.58 -0.07 0.00 -0.57 0.00 0.00 43.02 39.91 2j4r s PHE 175 CO 0.81 -0.53 0.68 1.63 -0.10 0.00 0.00 175.22 177.71 2j4r n LYS 176 N 5.17 2.19 -4.32 0.44 4.76 -1.26 -4.58 118.16 120.56 2j4r n LYS 176 Ca -0.11 -0.41 -0.20 0.00 -2.87 0.00 0.00 58.31 54.72 2j4r n LYS 176 Cb 0.48 -1.17 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 2j4r n LYS 176 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2j4r s GLN 177 N -1.95 0.91 -0.31 1.97 -0.21 -1.26 -5.06 119.66 113.75 2j4r s GLN 177 Ca 0.09 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.73 2j4r s GLN 177 Cb 0.11 -0.91 0.08 0.00 1.00 0.00 0.00 33.01 33.29 2j4r s GLN 177 CO 0.44 0.22 -0.01 0.34 -2.12 0.00 0.00 175.29 174.16 2j4r s ASP 178 N -1.21 4.60 0.84 5.90 2.15 -1.26 0.09 116.67 127.78 2j4r s ASP 178 Ca 0.01 -1.83 -0.11 0.00 0.43 0.00 0.00 52.55 51.04 2j4r s ASP 178 Cb -0.08 -1.56 0.10 0.00 -0.30 0.00 0.00 42.92 41.07 2j4r s ASP 178 CO 0.01 -0.31 1.09 -2.16 -0.17 0.00 0.00 175.17 173.64 2j4r s PRO 179 N 1.01 1.69 0.86 4.34 0.04 -1.26 -4.52 135.00 137.16 2j4r s PRO 179 Ca 0.03 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 2j4r s PRO 179 Cb -0.19 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.59 2j4r s PRO 179 CO -0.07 -1.93 1.10 -1.25 0.04 0.00 0.00 177.00 174.89 2j4r s PRO 180 N -5.03 1.52 0.52 0.56 0.04 0.11 -4.99 135.00 127.74 2j4r s PRO 180 Ca 0.62 0.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 2j4r s PRO 180 Cb -0.16 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2j4r s PRO 180 CO 0.56 -2.02 0.81 0.95 0.04 0.00 0.00 177.00 177.34 2j4r s THR 181 N -3.07 4.24 0.27 1.26 -4.23 -1.26 -4.94 115.64 107.91 2j4r s THR 181 Ca 0.62 -0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2j4r s THR 181 Cb -0.16 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.31 2j4r s THR 181 CO 0.55 -0.60 1.94 -0.33 -0.54 0.00 0.00 174.62 175.64 2j4r h GLU 182 N 0.09 1.21 0.20 3.99 5.08 -1.99 -1.96 114.58 121.20 2j4r h GLU 182 Ca -0.46 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2j4r h GLU 182 Cb 1.23 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2j4r h GLU 182 CO 0.61 0.80 -0.10 0.93 -1.00 0.00 0.00 179.01 180.25 2j4r h GLU 183 N 1.25 -0.26 -0.57 2.33 5.08 -1.99 -1.38 114.58 119.05 2j4r h GLU 183 Ca 0.35 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.84 2j4r h GLU 183 Cb -0.11 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.10 2j4r h GLU 183 CO -0.08 -0.10 -0.07 0.93 -1.00 0.00 0.00 179.01 178.69 2j4r h GLU 184 N -0.36 0.06 -0.21 2.33 5.08 -1.75 0.40 114.58 120.12 2j4r h GLU 184 Ca -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2j4r h GLU 184 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2j4r h GLU 184 CO 0.04 0.04 0.08 0.28 -1.00 0.00 0.00 179.01 178.45 2j4r h VAL 185 N 0.06 1.09 -0.01 3.13 2.07 -1.18 -0.41 116.25 121.00 2j4r h VAL 185 Ca 0.28 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2j4r h VAL 185 Cb 0.45 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2j4r h VAL 185 CO -0.53 0.10 -0.01 0.50 0.02 0.00 0.00 177.57 177.65 2j4r h LYS 186 N 0.29 0.03 -0.16 1.57 3.64 0.83 -1.80 116.57 120.97 2j4r h LYS 186 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2j4r h LYS 186 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2j4r h LYS 186 CO -0.01 0.53 -0.04 0.00 -2.27 0.00 0.00 179.45 177.66 2j4r h ARG 187 N -0.47 0.23 -0.31 1.90 3.08 -0.59 -0.54 114.38 117.68 2j4r h ARG 187 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2j4r h ARG 187 Cb 0.52 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2j4r h ARG 187 CO 0.00 0.29 0.17 0.35 -1.07 0.00 0.00 179.97 179.72 2j4r h PHE 188 N 0.23 0.32 0.00 3.04 3.57 -0.92 -1.42 116.94 121.77 2j4r h PHE 188 Ca 0.05 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 2j4r h PHE 188 Cb 0.22 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2j4r h PHE 188 CO 0.00 0.19 -0.67 0.74 -2.23 0.00 0.00 178.31 176.34 2j4r h PHE 189 N 0.35 0.00 0.15 0.41 0.04 -0.54 -0.65 116.94 116.70 2j4r h PHE 189 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 2j4r h PHE 189 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2j4r h PHE 189 CO -0.08 0.67 -0.07 0.93 -0.60 0.00 0.00 178.31 179.16 2j4r h GLU 190 N 0.00 -0.20 0.38 1.51 5.08 -0.86 -0.07 114.58 120.42 2j4r h GLU 190 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2j4r h GLU 190 Cb 1.32 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2j4r h GLU 190 CO 0.09 -0.03 -0.41 0.35 -1.00 0.00 0.00 179.01 178.01 2j4r h PHE 191 N -0.33 -1.14 -0.97 4.33 3.57 -1.22 -0.74 116.94 120.45 2j4r h PHE 191 Ca -0.02 0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.80 2j4r h PHE 191 Cb 0.26 0.44 -0.17 0.00 2.79 0.00 0.00 35.95 39.28 2j4r h PHE 191 CO -0.03 -0.54 0.28 -0.07 -2.23 0.00 0.00 178.31 175.73 2j4r h LEU 192 N -0.80 -0.03 0.60 0.59 4.07 -1.06 0.17 115.31 118.85 2j4r h LEU 192 Ca -0.05 0.24 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 2j4r h LEU 192 Cb 0.70 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 2j4r h LEU 192 CO -0.06 -0.31 -0.36 -0.33 -1.08 0.00 0.00 178.44 176.30 2j4r h GLU 193 N 0.09 -0.87 -0.07 1.13 4.39 -0.07 0.20 114.58 119.38 2j4r h GLU 193 Ca 0.67 0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.46 2j4r h GLU 193 Cb 1.53 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 30.32 2j4r h GLU 193 CO -0.78 -0.58 -0.48 -0.22 -1.16 0.00 0.00 179.01 175.78 2j4r h LYS 194 N -0.91 -0.56 -0.35 2.33 3.64 0.70 -1.02 116.57 120.40 2j4r h LYS 194 Ca -0.07 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2j4r h LYS 194 Cb 0.73 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2j4r h LYS 194 CO 0.08 -0.37 0.00 0.93 -2.27 0.00 0.00 179.45 177.82 2j4r h GLU 195 N -0.58 0.54 0.00 1.90 4.39 -1.16 -3.19 114.58 116.48 2j4r h GLU 195 Ca 0.04 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.45 2j4r h GLU 195 Cb 0.68 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2j4r h GLU 195 CO -0.39 0.57 -0.82 -0.07 -1.16 0.00 0.00 179.01 177.14 2j4r h LEU 196 N 0.52 0.00 -2.91 1.33 4.07 -0.23 -3.19 115.31 114.90 2j4r h LEU 196 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2j4r h LEU 196 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2j4r h LEU 196 CO 0.01 0.82 0.00 0.28 -1.08 0.00 0.00 178.44 178.47 2j4r h SER 197 N 0.00 0.00 0.87 -0.43 0.02 -1.17 -1.57 113.55 111.27 2j4r h SER 197 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2j4r h SER 197 Cb 1.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2j4r h SER 197 CO 0.11 0.00 -0.24 0.11 -1.14 0.00 0.00 176.83 175.67 2j4r h LYS 198 N 0.00 0.00 -0.01 3.45 1.57 -1.69 -3.12 116.57 116.77 2j4r h LYS 198 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j4r h LYS 198 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2j4r h LYS 198 CO 0.00 0.24 -0.68 1.33 -0.57 0.00 0.00 179.45 179.77 2j4r n VAL 199 N -3.43 0.00 -1.68 0.50 0.24 -0.59 -4.98 118.33 108.39 2j4r n VAL 199 Ca -0.00 -0.16 -0.56 0.00 -2.04 0.00 0.00 64.34 61.58 2j4r n VAL 199 Cb 0.43 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 2j4r n VAL 199 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2j4r n LYS 200 N -0.59 1.25 -3.90 7.34 4.81 -1.18 -4.96 118.16 120.93 2j4r n LYS 200 Ca 0.07 0.45 -0.09 0.00 -0.87 0.00 0.00 58.31 57.87 2j4r n LYS 200 Cb 0.42 -2.19 -0.09 0.00 0.02 0.00 0.00 35.03 33.19 2j4r n LYS 200 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2j4r s LYS 201 N 3.88 0.67 -0.15 1.64 1.02 -1.26 -5.11 119.74 120.43 2j4r s LYS 201 Ca 0.99 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 2j4r s LYS 201 Cb -1.02 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 36.54 2j4r s LYS 201 CO 0.63 -0.18 1.34 -2.14 -0.92 0.00 0.00 175.35 174.08 2j4r s PRO 202 N -2.95 4.20 0.22 -1.68 0.02 -1.26 -4.96 135.00 128.60 2j4r s PRO 202 Ca -0.02 1.75 0.04 0.00 0.02 0.00 0.00 61.00 62.79 2j4r s PRO 202 Cb 0.01 -3.82 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 2j4r s PRO 202 CO -0.06 -0.76 -0.03 0.14 -0.33 0.00 0.00 177.00 175.96 2j4r s VAL 203 N 3.66 1.13 -0.19 3.83 -7.23 -1.26 -4.96 120.40 115.39 2j4r s VAL 203 Ca 0.59 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2j4r s VAL 203 Cb -0.24 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.32 2j4r s VAL 203 CO 0.18 -0.39 -0.20 0.47 -0.31 0.00 0.00 175.10 174.85 2j4r n ASP 204 N -0.40 2.03 -3.82 4.85 8.00 -0.55 -4.99 116.55 121.67 2j4r n ASP 204 Ca -0.06 0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 2j4r n ASP 204 Cb 0.63 -0.42 -0.17 0.00 -0.02 0.00 0.00 41.12 41.14 2j4r n ASP 204 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2j4r s THR 205 N -2.36 0.65 -0.35 -3.53 -4.23 -0.92 -5.02 115.64 99.88 2j4r s THR 205 Ca -0.26 -0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2j4r s THR 205 Cb 0.08 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 2j4r s THR 205 CO 0.38 0.24 0.32 -0.63 -0.54 0.00 0.00 174.62 174.40 2j4r s ILE 206 N 1.85 5.21 -0.17 2.99 1.01 -1.26 -2.05 121.20 128.77 2j4r s ILE 206 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 2j4r s ILE 206 Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2j4r s ILE 206 CO -0.07 -0.08 0.21 -0.69 0.00 0.00 0.00 174.94 174.31 2j4r s VAL 207 N 1.92 5.36 -0.08 2.92 1.01 -0.97 -1.59 120.40 128.97 2j4r s VAL 207 Ca 0.10 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 2j4r s VAL 207 Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2j4r s VAL 207 CO 0.11 0.43 0.34 -0.83 0.00 0.00 0.00 175.10 175.15 2j4r s GLY 208 N 0.29 2.33 0.18 4.51 0.00 0.60 -1.67 107.32 113.57 2j4r s GLY 208 Ca 0.12 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.53 2j4r s GLY 208 CO 0.01 0.23 -0.08 -2.27 0.00 0.00 0.00 173.10 170.99 2j4r s LEU 209 N -0.38 2.43 0.00 0.66 2.96 -0.82 -0.18 118.68 123.35 2j4r s LEU 209 Ca 0.20 -1.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 2j4r s LEU 209 Cb -0.15 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.17 2j4r s LEU 209 CO 0.08 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2j4r n GLY 210 N -0.30 2.26 0.33 7.98 0.00 -1.26 -3.55 105.19 110.65 2j4r n GLY 210 Ca -0.08 -1.89 0.11 0.00 0.00 0.00 0.00 46.02 44.16 2j4r n GLY 210 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j4r h GLY 211 N 0.00 1.60 0.95 -0.02 0.00 -1.97 -2.09 103.07 101.53 2j4r h GLY 211 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2j4r h GLY 211 CO 0.00 -0.10 -0.41 -0.84 0.00 0.00 0.00 176.54 175.19 2j4r h THR 212 N 0.64 0.16 0.00 4.70 2.02 -1.87 -1.99 112.91 116.56 2j4r h THR 212 Ca 0.53 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.68 2j4r h THR 212 Cb 0.85 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2j4r h THR 212 CO -0.41 0.00 -0.15 -0.29 0.37 0.00 0.00 175.52 175.05 2j4r h ILE 213 N -1.10 0.73 0.00 3.11 6.09 -1.73 -0.37 117.51 124.23 2j4r h ILE 213 Ca -0.11 -0.60 -0.14 0.00 -1.37 0.00 0.00 64.86 62.65 2j4r h ILE 213 Cb 0.86 1.36 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 2j4r h ILE 213 CO 0.15 0.15 -0.79 0.71 -3.07 0.00 0.00 178.15 175.29 2j4r h THR 214 N 0.00 0.92 -0.43 2.19 1.35 -1.37 -2.04 112.91 113.53 2j4r h THR 214 Ca -0.00 -2.37 -0.15 0.00 -0.55 0.00 0.00 66.41 63.34 2j4r h THR 214 Cb 0.35 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 2j4r h THR 214 CO 0.02 0.52 -0.32 0.74 -0.25 0.00 0.00 175.52 176.23 2j4r h THR 215 N 0.00 1.27 -0.31 6.82 2.02 -0.60 -2.31 112.91 119.81 2j4r h THR 215 Ca -0.04 -1.49 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 2j4r h THR 215 Cb 1.50 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2j4r h THR 215 CO 0.07 0.51 -0.05 0.25 0.37 0.00 0.00 175.52 176.67 2j4r h LEU 216 N 0.81 0.46 -0.01 2.58 5.85 -0.97 -0.26 115.31 123.77 2j4r h LEU 216 Ca 0.08 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2j4r h LEU 216 Cb 0.91 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2j4r h LEU 216 CO 0.08 0.57 -0.01 0.00 -0.34 0.00 0.00 178.44 178.74 2j4r h ALA 217 N 1.49 0.01 -0.83 1.25 0.00 -1.19 -0.96 119.26 119.02 2j4r h ALA 217 Ca 0.10 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2j4r h ALA 217 Cb 0.38 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2j4r h ALA 217 CO 0.02 -0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.51 2j4r h ALA 218 N 0.49 1.20 0.27 0.00 0.00 -1.26 0.12 119.26 120.08 2j4r h ALA 218 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2j4r h ALA 218 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2j4r h ALA 218 CO 0.00 0.07 -0.24 -0.07 0.00 0.00 0.00 179.25 179.01 2j4r h LEU 219 N 0.77 -0.66 -2.45 0.00 4.07 -0.94 -1.25 115.31 114.84 2j4r h LEU 219 Ca 0.41 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.43 2j4r h LEU 219 Cb 0.41 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 2j4r h LEU 219 CO -0.27 -0.33 0.16 -0.08 -1.08 0.00 0.00 178.44 176.84 2j4r h GLU 220 N -0.51 0.00 -0.11 1.13 4.22 -0.33 -2.52 114.58 116.47 2j4r h GLU 220 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2j4r h GLU 220 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2j4r h GLU 220 CO -0.01 0.00 0.00 0.66 -2.18 0.00 0.00 179.01 177.48 2j4r n TYR 221 N -3.25 0.35 -4.08 0.92 4.01 0.35 -4.99 117.16 110.48 2j4r n TYR 221 Ca -0.01 -0.89 -0.31 0.00 -0.16 0.00 0.00 57.90 56.53 2j4r n TYR 221 Cb 0.24 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 2j4r n TYR 221 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2j4r n ASN 222 N -0.95 -1.96 -4.35 7.72 5.03 -0.69 -4.91 115.26 115.15 2j4r n ASN 222 Ca 0.16 -1.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.16 2j4r n ASN 222 Cb 0.69 -2.96 -0.04 0.00 -1.02 0.00 0.00 39.78 36.45 2j4r n ASN 222 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2j4r s VAL 223 N -3.62 5.02 0.00 2.41 1.01 -0.56 -4.97 120.40 119.69 2j4r s VAL 223 Ca 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2j4r s VAL 223 Cb -0.21 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2j4r s VAL 223 CO 0.90 -1.04 0.00 0.00 0.00 0.00 0.00 175.10 174.97 2j4r n TYR 224 N 5.78 0.00 -1.52 5.22 9.36 -1.26 -4.52 117.16 130.22 2j4r n TYR 224 Ca -0.09 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.67 2j4r n TYR 224 Cb 0.42 -0.02 -0.05 0.00 -0.63 0.00 0.00 39.34 39.06 2j4r n TYR 224 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2j4r n PRO 225 N -0.86 1.52 -1.68 2.98 -0.04 -1.26 -4.69 135.00 130.97 2j4r n PRO 225 Ca 0.00 0.41 -0.55 0.00 -0.04 0.00 0.00 63.50 63.32 2j4r n PRO 225 Cb 0.00 -2.87 -0.07 0.00 -0.04 0.00 0.00 33.50 30.53 2j4r n PRO 225 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2j4r n TYR 226 N 10.88 1.96 -3.96 0.54 9.36 -1.26 -4.95 117.16 129.72 2j4r n TYR 226 Ca 0.36 0.51 -0.26 0.00 3.32 0.00 0.00 57.90 61.82 2j4r n TYR 226 Cb 0.34 -2.45 -0.17 0.00 -0.63 0.00 0.00 39.34 36.43 2j4r n TYR 226 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2j4r s ASP 227 N 2.84 2.04 -0.62 2.98 2.15 -1.26 -5.05 116.67 119.75 2j4r s ASP 227 Ca 0.94 -0.27 -0.06 0.00 0.43 0.00 0.00 52.55 53.59 2j4r s ASP 227 Cb -1.00 -0.79 -0.06 0.00 -0.30 0.00 0.00 42.92 40.77 2j4r s ASP 227 CO 0.60 -0.11 3.02 -0.81 -0.17 0.00 0.00 175.17 177.70 2j4r n PRO 228 N 4.83 2.83 0.00 4.34 -0.04 -1.26 -2.99 135.00 142.71 2j4r n PRO 228 Ca -0.13 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 2j4r n PRO 228 Cb 0.50 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2j4r n PRO 228 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2j4r n GLN 229 N 1.95 0.27 -0.02 0.54 6.02 -1.26 -4.44 117.38 120.45 2j4r n GLN 229 Ca 0.54 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.66 2j4r n GLN 229 Cb 0.58 -0.25 0.53 0.00 1.02 0.00 0.00 30.24 32.12 2j4r n GLN 229 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2j4r n LYS 230 N -0.46 1.61 0.00 -1.09 5.02 -1.16 -4.22 118.16 117.87 2j4r n LYS 230 Ca 0.00 -0.89 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 2j4r n LYS 230 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2j4r n LYS 230 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j4r n VAL 231 N 0.08 0.08 -1.68 -0.18 0.31 -1.23 -4.91 118.33 110.81 2j4r n VAL 231 Ca 0.19 0.03 -0.44 0.00 -0.01 0.00 0.00 64.34 64.10 2j4r n VAL 231 Cb 0.32 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 2j4r n VAL 231 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2j4r n HIS 232 N -3.03 2.24 -1.00 3.52 -0.00 -1.26 -1.73 115.22 113.96 2j4r n HIS 232 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2j4r n HIS 232 Cb 0.46 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 2j4r n HIS 232 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2j4r n GLY 233 N 2.08 0.34 3.86 1.57 0.00 0.04 -4.84 105.19 108.25 2j4r n GLY 233 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2j4r n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4r s LYS 234 N -0.65 3.79 0.27 1.61 -0.14 -0.71 -4.78 119.74 119.13 2j4r s LYS 234 Ca 0.00 0.74 0.03 0.00 -1.36 0.00 0.00 55.97 55.38 2j4r s LYS 234 Cb 0.00 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2j4r s LYS 234 CO 0.00 -0.29 0.42 0.08 -0.76 0.00 0.00 175.35 174.80 2j4r s VAL 235 N -2.72 5.21 -0.35 3.17 1.01 -1.26 -1.14 120.40 124.31 2j4r s VAL 235 Ca 0.55 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2j4r s VAL 235 Cb -0.10 -3.85 0.16 0.00 0.00 0.00 0.00 36.38 32.58 2j4r s VAL 235 CO 0.38 -0.39 0.40 -0.76 0.00 0.00 0.00 175.10 174.73 2j4r s LEU 236 N -4.03 -0.35 0.98 3.92 1.43 -0.96 -4.93 118.68 114.74 2j4r s LEU 236 Ca 0.36 -1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 2j4r s LEU 236 Cb -0.09 0.79 0.18 0.00 0.03 0.00 0.00 46.19 47.09 2j4r s LEU 236 CO 0.31 -0.28 1.09 0.42 0.23 0.00 0.00 176.35 178.12 2j4r s THR 237 N 1.78 2.29 0.32 5.49 -4.23 -1.26 -2.76 115.64 117.27 2j4r s THR 237 Ca 0.15 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2j4r s THR 237 Cb -0.13 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.71 2j4r s THR 237 CO -0.12 -0.12 1.95 0.22 -0.54 0.00 0.00 174.62 176.01 2j4r h TYR 238 N -1.97 0.94 0.71 3.99 3.20 0.37 -2.71 116.97 121.51 2j4r h TYR 238 Ca -0.50 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.36 2j4r h TYR 238 Cb 1.29 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 39.25 2j4r h TYR 238 CO 0.42 0.54 -0.34 0.78 -1.64 0.00 0.00 178.16 177.92 2j4r h GLY 239 N 0.97 -1.00 0.17 1.82 0.00 -1.90 -0.45 103.07 102.69 2j4r h GLY 239 Ca 0.32 0.37 0.18 0.00 0.00 0.00 0.00 47.33 48.21 2j4r h GLY 239 CO -0.10 -0.36 0.62 1.46 0.00 0.00 0.00 176.54 178.16 2j4r h GLN 240 N -1.03 0.75 -0.20 4.80 4.20 -1.89 0.35 115.11 122.09 2j4r h GLN 240 Ca -0.10 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 2j4r h GLN 240 Cb 0.75 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2j4r h GLN 240 CO 0.16 0.50 -0.11 0.82 -0.67 0.00 0.00 178.83 179.52 2j4r h ILE 241 N 0.77 1.31 0.00 2.54 2.04 -1.34 -2.93 117.51 119.91 2j4r h ILE 241 Ca 0.57 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2j4r h ILE 241 Cb 0.87 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2j4r h ILE 241 CO -0.36 0.36 -0.13 0.50 0.00 0.00 0.00 178.15 178.52 2j4r h LYS 242 N 0.13 0.00 -0.25 2.37 3.64 0.06 -1.94 116.57 120.57 2j4r h LYS 242 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2j4r h LYS 242 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2j4r h LYS 242 CO 0.03 0.13 0.12 -0.22 -2.27 0.00 0.00 179.45 177.25 2j4r h LYS 243 N 0.00 0.37 0.00 1.90 3.64 -0.79 -2.08 116.57 119.61 2j4r h LYS 243 Ca -0.00 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 2j4r h LYS 243 Cb 0.40 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2j4r h LYS 243 CO 0.02 0.37 -0.73 -1.49 -2.27 0.00 0.00 179.45 175.35 2j4r h TRP 244 N 0.28 0.00 -0.56 1.91 6.55 -1.36 -2.11 115.95 120.65 2j4r h TRP 244 Ca 0.09 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.89 2j4r h TRP 244 Cb 0.13 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.40 2j4r h TRP 244 CO -0.02 0.73 0.20 0.35 -1.05 0.00 0.00 178.44 178.65 2j4r h PHE 245 N 0.00 0.89 -0.20 0.49 3.57 -1.26 -2.44 116.94 118.00 2j4r h PHE 245 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2j4r h PHE 245 Cb 1.39 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2j4r h PHE 245 CO 0.00 0.74 0.12 -0.44 -2.23 0.00 0.00 178.31 176.50 2j4r h ASP 246 N 0.78 0.21 0.02 0.41 3.32 -1.28 -1.30 116.42 118.57 2j4r h ASP 246 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2j4r h ASP 246 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2j4r h ASP 246 CO -0.01 0.15 -0.10 0.74 -1.72 0.00 0.00 179.24 178.30 2j4r h THR 247 N 0.25 0.00 -0.32 0.35 2.02 -1.15 -3.06 112.91 111.01 2j4r h THR 247 Ca 0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.31 2j4r h THR 247 Cb -0.02 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.34 2j4r h THR 247 CO -0.02 0.00 -0.03 -0.26 0.37 0.00 0.00 175.52 175.58 2j4r h PHE 248 N -0.13 -0.08 -1.26 3.16 0.04 -1.43 -2.11 116.94 115.12 2j4r h PHE 248 Ca -0.00 0.03 0.36 0.00 2.80 0.00 0.00 57.97 61.16 2j4r h PHE 248 Cb 0.14 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 2j4r h PHE 248 CO -0.34 -0.09 0.89 1.57 -0.60 0.00 0.00 178.31 179.73 2j4r h LYS 249 N 0.05 0.07 0.00 1.51 2.10 -1.23 0.80 116.57 119.87 2j4r h LYS 249 Ca 0.15 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2j4r h LYS 249 Cb 0.22 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2j4r h LYS 249 CO -0.29 0.05 0.00 0.39 -2.00 0.00 0.00 179.45 177.60 2j4r n GLU 250 N -4.26 0.56 -4.06 0.07 -0.58 -0.79 -4.56 120.64 107.01 2j4r n GLU 250 Ca 0.28 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 2j4r n GLU 250 Cb 1.28 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 30.55 2j4r n GLU 250 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2j4r s ILE 251 N -2.42 0.23 0.55 -3.67 -4.36 0.28 -4.96 121.20 106.85 2j4r s ILE 251 Ca 0.33 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 59.00 2j4r s ILE 251 Cb 0.20 -1.13 -0.06 0.00 1.25 0.00 0.00 42.46 42.72 2j4r s ILE 251 CO 0.42 -0.82 1.08 -2.16 0.24 0.00 0.00 174.94 173.69 2j4r s PRO 252 N -3.11 3.45 0.35 0.37 0.04 -1.26 -4.27 135.00 130.56 2j4r s PRO 252 Ca -0.00 1.39 0.15 0.00 0.04 0.00 0.00 61.00 62.58 2j4r s PRO 252 Cb 0.02 -2.04 1.14 0.00 0.04 0.00 0.00 34.50 33.66 2j4r s PRO 252 CO -0.07 -0.73 1.61 0.66 0.04 0.00 0.00 177.00 178.51 2j4r h SER 253 N 1.00 0.23 0.11 6.66 4.64 -1.86 -1.24 113.55 123.09 2j4r h SER 253 Ca -0.49 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 2j4r h SER 253 Cb 1.23 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2j4r h SER 253 CO 0.57 -0.32 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.83 2j4r h GLU 254 N 0.11 -0.14 0.00 4.77 3.07 -1.92 -2.44 114.58 118.03 2j4r h GLU 254 Ca 0.76 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.62 2j4r h GLU 254 Cb 1.85 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.79 2j4r h GLU 254 CO -0.74 -0.05 -0.01 1.49 -1.40 0.00 0.00 179.01 178.30 2j4r h GLU 255 N -0.20 0.00 -0.21 2.33 4.81 -1.60 0.76 114.58 120.48 2j4r h GLU 255 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2j4r h GLU 255 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2j4r h GLU 255 CO 0.02 0.01 -0.35 0.00 -0.73 0.00 0.00 179.01 177.96 2j4r h ARG 256 N 0.00 0.61 0.18 1.92 3.08 -1.34 -1.32 114.38 117.50 2j4r h ARG 256 Ca -0.00 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2j4r h ARG 256 Cb 0.02 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2j4r h ARG 256 CO 0.00 0.99 -0.08 1.03 -1.07 0.00 0.00 179.97 180.84 2j4r h SER 257 N 0.29 -0.20 0.40 7.04 0.87 -0.62 0.13 113.55 121.46 2j4r h SER 257 Ca 0.01 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2j4r h SER 257 Cb 0.95 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2j4r h SER 257 CO 0.08 -0.06 -0.22 0.50 -0.53 0.00 0.00 176.83 176.60 2j4r h LYS 258 N -0.32 -0.55 0.00 2.24 3.64 -0.95 -3.25 116.57 117.38 2j4r h LYS 258 Ca -0.02 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2j4r h LYS 258 Cb 0.25 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2j4r h LYS 258 CO 0.04 -0.37 -0.41 0.00 -2.27 0.00 0.00 179.45 176.45 2j4r h ARG 259 N -0.57 0.00 -4.61 1.90 2.47 -1.26 -3.42 114.38 108.89 2j4r h ARG 259 Ca -0.05 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.02 2j4r h ARG 259 Cb 0.46 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.38 2j4r h ARG 259 CO 0.07 0.41 -0.75 -0.06 0.56 0.00 0.00 179.97 180.20 2j4r s PHE 260 N -3.37 3.35 0.52 3.04 0.40 0.03 -4.99 117.98 116.96 2j4r s PHE 260 Ca 0.02 -2.62 0.31 0.00 -0.60 0.00 0.00 56.93 54.03 2j4r s PHE 260 Cb 0.10 -2.46 1.45 0.00 0.51 0.00 0.00 43.02 42.61 2j4r s PHE 260 CO 0.70 -0.91 1.86 0.00 0.70 0.00 0.00 175.22 177.57 2j4r h ARG 261 N 7.72 0.05 0.00 0.44 3.08 -1.82 -1.12 114.38 122.74 2j4r h ARG 261 Ca -0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2j4r h ARG 261 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2j4r h ARG 261 CO 0.49 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 180.47 2j4r n GLN 262 N -4.29 0.03 -2.94 0.04 3.00 -1.26 -4.71 117.38 107.25 2j4r n GLN 262 Ca 0.21 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 2j4r n GLN 262 Cb 1.01 -1.54 -0.05 0.00 0.00 0.00 0.00 30.24 29.65 2j4r n GLN 262 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2j4r s VAL 263 N -3.02 4.72 0.09 5.09 1.01 -0.42 -4.94 120.40 122.92 2j4r s VAL 263 Ca 0.11 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 2j4r s VAL 263 Cb 0.15 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2j4r s VAL 263 CO 0.46 -0.45 1.11 -1.61 0.00 0.00 0.00 175.10 174.61 2j4r s GLU 264 N 3.14 4.52 0.32 2.72 2.02 -1.26 -4.75 118.70 125.42 2j4r s GLU 264 Ca 0.32 1.67 0.10 0.00 0.02 0.00 0.00 54.97 57.08 2j4r s GLU 264 Cb -0.13 -3.35 0.95 0.00 0.10 0.00 0.00 34.13 31.70 2j4r s GLU 264 CO 0.17 -0.09 1.67 -0.44 0.02 0.00 0.00 175.26 176.59 2j4r h ASP 265 N 6.19 0.38 -0.12 -0.19 5.19 -1.95 0.98 116.42 126.90 2j4r h ASP 265 Ca -0.42 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 2j4r h ASP 265 Cb 1.21 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.88 2j4r h ASP 265 CO 0.77 -0.11 0.08 0.08 -3.12 0.00 0.00 179.24 176.93 2j4r h ARG 266 N 0.32 0.16 0.04 3.56 0.11 -2.01 -2.74 114.38 113.83 2j4r h ARG 266 Ca 0.67 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 60.43 2j4r h ARG 266 Cb 1.44 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 32.45 2j4r h ARG 266 CO -0.61 0.11 -1.73 0.00 0.10 0.00 0.00 179.97 177.85 2j4r h ARG 267 N 0.17 0.09 -0.46 0.08 3.08 0.45 -3.41 114.38 114.37 2j4r h ARG 267 Ca 0.04 -0.15 0.15 0.00 0.07 0.00 0.00 59.98 60.09 2j4r h ARG 267 Cb -0.01 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 2j4r h ARG 267 CO -0.01 0.76 0.09 0.00 -1.07 0.00 0.00 179.97 179.74 2j4r n ALA 268 N -2.67 0.32 -0.01 0.04 0.00 0.59 -0.64 120.51 118.14 2j4r n ALA 268 Ca -0.20 0.49 -0.00 0.00 0.00 0.00 0.00 53.44 53.73 2j4r n ALA 268 Cb 1.05 -0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 2j4r n ALA 268 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2j4r h LYS 269 N 0.00 0.00 -0.17 0.00 3.64 -1.80 -3.39 116.57 114.86 2j4r h LYS 269 Ca 0.32 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2j4r h LYS 269 Cb 0.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2j4r h LYS 269 CO -0.41 0.00 0.41 -0.39 -2.27 0.00 0.00 179.45 176.79 2j4r h VAL 270 N -0.15 0.14 0.00 2.00 -1.51 -1.75 -2.79 116.25 112.19 2j4r h VAL 270 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2j4r h VAL 270 Cb 0.04 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 2j4r h VAL 270 CO 0.00 0.00 0.13 -0.29 -1.23 0.00 0.00 177.57 176.18 2j4r h ILE 271 N 0.00 0.00 0.73 7.19 2.10 -1.07 -2.51 117.51 123.95 2j4r h ILE 271 Ca 0.08 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.98 2j4r h ILE 271 Cb 0.89 0.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2j4r h ILE 271 CO -0.00 0.00 -0.35 0.25 -1.08 0.00 0.00 178.15 176.97 2j4r h LEU 272 N 0.00 -0.83 -1.66 2.19 5.85 -1.77 -1.36 115.31 117.73 2j4r h LEU 272 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2j4r h LEU 272 Cb 0.26 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2j4r h LEU 272 CO 0.00 -0.46 0.36 0.00 -0.34 0.00 0.00 178.44 178.00 2j4r h ALA 273 N -1.24 1.98 -0.50 1.25 0.00 -1.71 0.56 119.26 119.58 2j4r h ALA 273 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2j4r h ALA 273 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2j4r h ALA 273 CO 0.17 -0.08 0.11 0.78 0.00 0.00 0.00 179.25 180.22 2j4r h GLY 274 N 0.40 0.88 1.16 0.00 0.00 -1.41 -0.97 103.07 103.13 2j4r h GLY 274 Ca 0.24 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 2j4r h GLY 274 CO -0.06 0.53 -0.04 -2.22 0.00 0.00 0.00 176.54 174.75 2j4r h ILE 275 N 0.70 1.26 -0.14 2.60 2.04 -0.02 -3.04 117.51 120.92 2j4r h ILE 275 Ca 0.16 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.88 2j4r h ILE 275 Cb 0.36 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2j4r h ILE 275 CO 0.01 0.42 -0.11 1.23 0.00 0.00 0.00 178.15 179.70 2j4r h GLY 276 N 0.98 -0.00 0.17 5.37 0.00 -0.42 -1.07 103.07 108.10 2j4r h GLY 276 Ca 0.16 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.69 2j4r h GLY 276 CO 0.04 -0.12 -0.15 -2.22 0.00 0.00 0.00 176.54 174.09 2j4r h ILE 277 N -0.12 0.52 -0.65 2.60 2.04 -1.08 0.71 117.51 121.52 2j4r h ILE 277 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2j4r h ILE 277 Cb 0.25 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2j4r h ILE 277 CO -0.21 0.00 0.43 -0.26 0.00 0.00 0.00 178.15 178.11 2j4r h PHE 278 N -0.08 0.82 0.70 1.37 0.04 -1.43 -0.24 116.94 118.11 2j4r h PHE 278 Ca 0.18 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2j4r h PHE 278 Cb 0.35 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 38.23 2j4r h PHE 278 CO -0.37 0.51 -0.33 1.25 -0.60 0.00 0.00 178.31 178.76 2j4r h LEU 279 N 0.88 -0.79 -2.17 1.54 5.85 0.27 -2.91 115.31 117.98 2j4r h LEU 279 Ca 0.24 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2j4r h LEU 279 Cb -0.09 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2j4r h LEU 279 CO -0.05 -0.47 0.00 0.50 -0.34 0.00 0.00 178.44 178.08 2j4r h LYS 280 N -1.13 0.00 0.16 1.25 1.63 -0.85 -2.72 116.57 114.91 2j4r h LYS 280 Ca -0.10 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 2j4r h LYS 280 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2j4r h LYS 280 CO 0.16 0.00 -0.08 1.15 -3.45 0.00 0.00 179.45 177.23 2j4r h THR 281 N 0.00 0.90 -0.88 1.00 2.02 -1.00 -1.14 112.91 113.81 2j4r h THR 281 Ca 0.00 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.07 2j4r h THR 281 Cb 0.00 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.40 2j4r h THR 281 CO -0.00 0.06 0.57 -0.07 0.37 0.00 0.00 175.52 176.45 2j4r h LEU 282 N -0.34 0.62 0.80 2.58 4.07 -1.28 0.91 115.31 122.67 2j4r h LEU 282 Ca -0.02 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2j4r h LEU 282 Cb 0.27 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 41.93 2j4r h LEU 282 CO 0.04 0.31 -0.38 -0.08 -1.08 0.00 0.00 178.44 177.25 2j4r h GLU 283 N 0.66 -1.03 -0.10 1.13 4.81 -1.24 0.20 114.58 119.00 2j4r h GLU 283 Ca 0.44 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.78 2j4r h GLU 283 Cb 0.74 0.24 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 2j4r h GLU 283 CO -0.20 -0.69 -0.19 0.82 -0.73 0.00 0.00 179.01 178.02 2j4r h ILE 284 N -1.14 0.52 0.00 2.32 5.03 -0.67 0.20 117.51 123.77 2j4r h ILE 284 Ca -0.11 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.63 2j4r h ILE 284 Cb 0.82 0.52 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 2j4r h ILE 284 CO 0.18 0.00 0.00 0.49 -0.68 0.00 0.00 178.15 178.14 2j4r n PHE 285 N -5.33 0.00 -3.64 1.37 3.01 0.27 -4.90 117.46 108.23 2j4r n PHE 285 Ca -0.03 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.14 2j4r n PHE 285 Cb 0.25 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.73 2j4r n PHE 285 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2j4r n GLU 286 N -0.72 -1.69 -3.99 -1.08 1.02 0.71 -4.91 120.64 109.97 2j4r n GLU 286 Ca 0.07 1.06 -0.09 0.00 -0.02 0.00 0.00 57.16 58.18 2j4r n GLU 286 Cb 0.03 -2.43 -0.11 0.00 -0.02 0.00 0.00 31.44 28.92 2j4r n GLU 286 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2j4r s LYS 287 N -3.94 0.38 0.18 3.49 -0.14 0.45 -5.02 119.74 115.14 2j4r s LYS 287 Ca 0.14 -0.71 0.14 0.00 -1.36 0.00 0.00 55.97 54.18 2j4r s LYS 287 Cb -0.02 0.13 -0.05 0.00 -1.68 0.00 0.00 37.83 36.21 2j4r s LYS 287 CO 0.88 -0.07 1.22 -0.44 -0.76 0.00 0.00 175.35 176.19 2j4r h ASP 288 N 4.35 0.00 -2.88 2.83 3.32 -1.94 -3.43 116.42 118.67 2j4r h ASP 288 Ca -0.32 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.75 2j4r h ASP 288 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2j4r h ASP 288 CO 0.46 0.64 0.36 0.00 -1.72 0.00 0.00 179.24 178.98 2j4r s LEU 290 N 0.00 0.92 -0.12 0.00 0.05 -1.11 -4.68 118.68 113.74 2j4r s LEU 290 Ca 0.18 -1.09 -0.02 0.00 0.05 0.00 0.00 54.13 53.24 2j4r s LEU 290 Cb -0.04 1.00 -0.03 0.00 -2.05 0.00 0.00 46.19 45.06 2j4r s LEU 290 CO 0.10 -0.93 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.31 2j4r s ILE 291 N -4.05 3.98 0.04 1.48 1.09 -0.62 -2.27 121.20 120.85 2j4r s ILE 291 Ca 0.27 -0.35 -0.18 0.00 -1.10 0.00 0.00 60.65 59.28 2j4r s ILE 291 Cb 0.04 -2.70 -0.06 0.00 -1.06 0.00 0.00 42.46 38.68 2j4r s ILE 291 CO 0.07 0.55 0.52 -0.69 -0.10 0.00 0.00 174.94 175.29 2j4r s VAL 292 N -0.26 4.84 -0.08 2.92 1.01 -0.29 0.22 120.40 128.76 2j4r s VAL 292 Ca 0.05 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2j4r s VAL 292 Cb -0.13 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2j4r s VAL 292 CO 0.02 0.55 -0.21 -0.55 0.00 0.00 0.00 175.10 174.92 2j4r s SER 293 N -1.03 2.69 0.35 3.32 0.15 0.74 -0.78 113.70 119.15 2j4r s SER 293 Ca 0.27 -0.47 0.23 0.00 0.70 0.00 0.00 55.95 56.68 2j4r s SER 293 Cb -0.19 -1.12 0.23 0.00 -1.71 0.00 0.00 66.02 63.23 2j4r s SER 293 CO 0.17 0.14 1.41 -0.78 1.20 0.00 0.00 173.24 175.39 2j4r h ASP 294 N 6.64 0.00 -3.13 5.45 3.58 -1.90 -3.41 116.42 123.64 2j4r h ASP 294 Ca -0.25 -0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.60 2j4r h ASP 294 Cb 1.21 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 2j4r h ASP 294 CO 0.47 0.00 -0.19 0.26 -2.88 0.00 0.00 179.24 176.90 2j4r s TRP 295 N -3.26 3.65 0.00 0.28 0.52 -1.26 -5.02 118.94 113.84 2j4r s TRP 295 Ca 0.04 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.10 2j4r s TRP 295 Cb 0.07 -2.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.01 2j4r s TRP 295 CO 0.71 0.48 0.00 0.41 0.02 0.00 0.00 176.95 178.57 2j4r n GLY 296 N 2.35 5.34 0.23 0.98 0.00 -1.26 -4.58 105.19 108.25 2j4r n GLY 296 Ca -0.12 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2j4r n GLY 296 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j4r h LEU 297 N 0.00 -0.71 -1.00 0.99 5.85 -1.83 0.81 115.31 119.43 2j4r h LEU 297 Ca 0.00 0.07 0.33 0.00 0.84 0.00 0.00 57.88 59.12 2j4r h LEU 297 Cb 0.00 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 41.12 2j4r h LEU 297 CO 0.00 -0.29 0.54 -0.09 -0.34 0.00 0.00 178.44 178.26 2j4r h ARG 298 N -0.43 0.26 0.00 1.25 2.43 -1.95 0.46 114.38 116.41 2j4r h ARG 298 Ca -0.02 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.90 2j4r h ARG 298 Cb 0.39 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 2j4r h ARG 298 CO -0.08 0.17 -1.37 0.93 -1.51 0.00 0.00 179.97 178.11 2j4r h GLU 299 N 0.27 0.00 -0.27 0.20 3.07 -1.89 -3.33 114.58 112.63 2j4r h GLU 299 Ca 0.74 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.53 2j4r h GLU 299 Cb 1.73 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.62 2j4r h GLU 299 CO -0.64 0.64 -0.15 0.78 -1.40 0.00 0.00 179.01 178.24 2j4r h GLY 300 N 3.36 0.50 0.88 -3.84 0.00 0.51 -0.87 103.07 103.61 2j4r h GLY 300 Ca -0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2j4r h GLY 300 CO 0.09 0.33 0.01 -2.08 0.00 0.00 0.00 176.54 174.89 2j4r h VAL 301 N 0.43 1.10 -0.58 4.60 2.07 -0.89 -2.53 116.25 120.45 2j4r h VAL 301 Ca 0.08 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2j4r h VAL 301 Cb 0.51 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2j4r h VAL 301 CO 0.03 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 177.96 2j4r h LEU 302 N -0.08 0.50 -0.75 2.57 4.07 -1.57 -2.41 115.31 117.63 2j4r h LEU 302 Ca 0.01 0.02 0.17 0.00 0.08 0.00 0.00 57.88 58.16 2j4r h LEU 302 Cb 0.12 -0.08 -0.13 0.00 1.08 0.00 0.00 40.66 41.65 2j4r h LEU 302 CO -0.00 0.34 0.01 0.58 -1.08 0.00 0.00 178.44 178.28 2j4r h VAL 303 N 0.63 0.35 -0.10 1.22 2.07 -0.75 0.51 116.25 120.17 2j4r h VAL 303 Ca 0.25 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 2j4r h VAL 303 Cb 0.10 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2j4r h VAL 303 CO -0.14 0.02 0.27 -1.54 0.02 0.00 0.00 177.57 176.20 2j4r n SER 304 N -5.34 0.66 0.00 0.57 3.41 -0.91 -2.89 113.62 109.12 2j4r n SER 304 Ca 0.13 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2j4r n SER 304 Cb 0.47 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2j4r n SER 304 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2j4r n GLU 305 N 7.45 0.00 0.00 4.33 -0.58 -1.24 -5.05 120.64 125.54 2j4r n GLU 305 Ca 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2j4r n GLU 305 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2j4r n GLU 305 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93