#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n ASN 2 N 0.00 3.24 -0.72 6.12 3.02 -1.26 -3.52 115.26 122.14 3d5d n ASN 2 Ca 0.00 -2.01 0.04 0.00 -0.03 0.00 0.00 54.58 52.58 3d5d n ASN 2 Cb 0.00 -0.80 0.07 0.00 -0.61 0.00 0.00 39.78 38.44 3d5d n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3d5d n ARG 3 N 2.32 0.55 -0.33 3.52 5.12 -1.26 -4.88 116.66 121.70 3d5d n ARG 3 Ca 0.17 -2.03 0.32 0.00 -1.93 0.00 0.00 57.85 54.37 3d5d n ARG 3 Cb 0.47 -0.76 0.57 0.00 -1.16 0.00 0.00 32.46 31.58 3d5d n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d5d n GLY 4 N -0.35 -0.72 0.03 -0.13 0.00 -1.23 -1.12 105.19 101.68 3d5d n GLY 4 Ca 0.08 0.74 -0.01 0.00 0.00 0.00 0.00 46.02 46.84 3d5d n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5d h ALA 5 N 1.76 -0.40 -1.12 4.61 0.00 -1.93 -3.29 119.26 118.89 3d5d h ALA 5 Ca 0.80 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 56.02 3d5d h ALA 5 Cb 2.22 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.93 3d5d h ALA 5 CO -0.65 -0.40 0.71 1.25 0.00 0.00 0.00 179.25 180.16 3d5d h LEU 6 N -0.14 0.40 0.13 0.00 5.85 -1.65 0.93 115.31 120.83 3d5d h LEU 6 Ca -0.01 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3d5d h LEU 6 Cb 0.05 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3d5d h LEU 6 CO 0.01 -0.03 -0.41 0.40 -0.34 0.00 0.00 178.44 178.07 3d5d h ILE 7 N 0.30 0.16 -0.39 4.05 1.08 -1.24 0.70 117.51 122.16 3d5d h ILE 7 Ca 0.68 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 65.25 3d5d h ILE 7 Cb 1.84 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 3d5d h ILE 7 CO -0.38 0.00 0.27 0.11 -0.69 0.00 0.00 178.15 177.46 3d5d h LYS 8 N -0.66 0.10 0.00 2.37 1.57 -0.91 -1.42 116.57 117.62 3d5d h LYS 8 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d5d h LYS 8 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3d5d h LYS 8 CO -0.23 0.06 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.48 3d5d h LEU 9 N 0.10 0.00 0.10 2.94 3.38 0.04 -3.17 115.31 118.70 3d5d h LEU 9 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3d5d h LEU 9 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3d5d h LEU 9 CO -0.02 0.02 -0.05 0.58 0.09 0.00 0.00 178.44 179.06 3d5d h VAL 10 N 0.00 1.07 0.00 1.22 2.07 0.14 -2.88 116.25 117.86 3d5d h VAL 10 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3d5d h VAL 10 Cb 0.79 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3d5d h VAL 10 CO 0.00 0.28 0.00 -0.33 0.02 0.00 0.00 177.57 177.54 3d5d h GLU 11 N -0.81 0.00 -2.08 1.57 3.07 -1.66 -2.99 114.58 111.67 3d5d h GLU 11 Ca -0.01 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 3d5d h GLU 11 Cb 0.57 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 3d5d h GLU 11 CO 0.02 0.00 -0.31 0.43 -1.40 0.00 0.00 179.01 177.76 3d5d n SER 12 N -2.73 4.81 -1.50 1.42 7.64 -1.09 -4.11 113.62 118.06 3d5d n SER 12 Ca -0.02 -2.40 0.08 0.00 1.01 0.00 0.00 58.87 57.54 3d5d n SER 12 Cb 0.08 -1.29 0.32 0.00 -1.01 0.00 0.00 64.21 62.31 3d5d n SER 12 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3d5d n ARG 13 N 2.51 3.62 -0.35 1.43 1.85 -1.13 -4.04 116.66 120.55 3d5d n ARG 13 Ca 0.38 -2.56 0.09 0.00 -1.00 0.00 0.00 57.85 54.76 3d5d n ARG 13 Cb 0.83 -1.90 0.26 0.00 -1.05 0.00 0.00 32.46 30.61 3d5d n ARG 13 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3d5d n TYR 14 N 0.88 0.90 -0.84 2.89 4.02 -1.26 -4.99 117.16 118.76 3d5d n TYR 14 Ca 0.23 -0.41 -0.31 0.00 -0.01 0.00 0.00 57.90 57.40 3d5d n TYR 14 Cb 0.86 -0.06 0.15 0.00 -0.02 0.00 0.00 39.34 40.27 3d5d n TYR 14 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3d5d s VAL 15 N -1.39 2.31 -0.13 -0.72 -7.23 -1.26 -4.92 120.40 107.06 3d5d s VAL 15 Ca 0.39 0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.60 3d5d s VAL 15 Cb 0.22 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.98 3d5d s VAL 15 CO 0.24 -0.13 0.31 -0.13 -0.31 0.00 0.00 175.10 175.08 3d5d s ARG 16 N -4.67 0.26 -0.02 4.82 1.81 -1.26 -5.03 118.95 114.86 3d5d s ARG 16 Ca 0.66 0.67 0.12 0.00 -1.72 0.00 0.00 55.73 55.45 3d5d s ARG 16 Cb -0.22 -0.06 0.35 0.00 -0.45 0.00 0.00 34.95 34.57 3d5d s ARG 16 CO 0.57 -0.18 1.29 -2.37 -0.68 0.00 0.00 175.30 173.92 3d5d n THR 17 N 4.46 1.17 -0.09 0.02 5.66 -1.26 -4.60 114.28 119.63 3d5d n THR 17 Ca -0.21 -1.11 -0.05 0.00 -3.05 0.00 0.00 64.05 59.63 3d5d n THR 17 Cb 0.53 0.41 0.02 0.00 -1.55 0.00 0.00 70.33 69.73 3d5d n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3d5d n ASP 18 N 0.43 4.64 -3.84 1.09 5.75 -1.26 -4.80 116.55 118.56 3d5d n ASP 18 Ca 0.13 -2.47 -0.25 0.00 -0.01 0.00 0.00 54.79 52.20 3d5d n ASP 18 Cb 0.49 -0.88 -0.17 0.00 -1.03 0.00 0.00 41.12 39.54 3d5d n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3d5d s LEU 19 N -0.55 0.91 1.42 -2.12 1.43 -1.26 -4.80 118.68 113.71 3d5d s LEU 19 Ca 0.09 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 3d5d s LEU 19 Cb 0.08 -0.64 0.36 0.00 0.03 0.00 0.00 46.19 46.02 3d5d s LEU 19 CO 0.01 -0.16 0.94 -2.84 0.23 0.00 0.00 176.35 174.53 3d5d s PRO 20 N 1.84 -2.92 0.43 1.29 0.02 -1.26 -5.03 135.00 129.37 3d5d s PRO 20 Ca 0.05 0.07 -0.07 0.00 0.02 0.00 0.00 61.00 61.07 3d5d s PRO 20 Cb -0.13 -1.38 -0.05 0.00 0.02 0.00 0.00 34.50 32.96 3d5d s PRO 20 CO -0.07 -4.85 0.75 -1.21 -0.33 0.00 0.00 177.00 171.29 3d5d s GLU 21 N -5.15 3.64 -0.30 5.54 2.02 -1.26 -5.08 118.70 118.12 3d5d s GLU 21 Ca 0.69 0.27 -0.16 0.00 0.02 0.00 0.00 54.97 55.79 3d5d s GLU 21 Cb -0.12 -2.42 0.18 0.00 0.10 0.00 0.00 34.13 31.87 3d5d s GLU 21 CO 0.57 -0.08 1.19 -0.59 0.02 0.00 0.00 175.26 176.37 3d5d s PHE 22 N -2.51 -0.12 -0.04 1.61 -0.00 -1.26 -4.96 117.98 110.69 3d5d s PHE 22 Ca 0.48 0.10 -0.03 0.00 -0.00 0.00 0.00 56.93 57.48 3d5d s PHE 22 Cb -0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 43.02 42.91 3d5d s PHE 22 CO 0.38 -0.07 0.13 1.03 -0.00 0.00 0.00 175.22 176.69 3d5d s ARG 23 N 2.99 3.29 -0.04 1.99 0.52 -1.26 -5.02 118.95 121.42 3d5d s ARG 23 Ca 0.12 -0.34 -0.40 0.00 -0.52 0.00 0.00 55.73 54.59 3d5d s ARG 23 Cb -0.04 -3.02 -0.19 0.00 0.52 0.00 0.00 34.95 32.22 3d5d s ARG 23 CO -0.15 0.69 1.20 -0.35 0.02 0.00 0.00 175.30 176.71 3d5d n PRO 24 N 1.31 0.29 0.00 3.54 -0.04 -1.26 -3.70 135.00 135.14 3d5d n PRO 24 Ca -0.14 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3d5d n PRO 24 Cb 0.53 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3d5d n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5d n GLY 25 N 2.05 1.33 3.61 0.55 0.00 -1.19 -4.38 105.19 107.15 3d5d n GLY 25 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3d5d n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d5d s ASP 26 N -2.00 -0.92 0.48 1.61 1.47 -1.24 -1.17 116.67 114.89 3d5d s ASP 26 Ca 0.00 1.47 -0.22 0.00 1.18 0.00 0.00 52.55 54.98 3d5d s ASP 26 Cb 0.00 1.41 -0.07 0.00 -0.34 0.00 0.00 42.92 43.91 3d5d s ASP 26 CO 0.00 -0.23 1.12 0.28 0.68 0.00 0.00 175.17 177.02 3d5d s THR 27 N 1.72 3.31 -0.22 2.11 -1.32 -0.56 -2.87 115.64 117.81 3d5d s THR 27 Ca -0.10 0.91 -0.26 0.00 -1.21 0.00 0.00 61.69 61.04 3d5d s THR 27 Cb -0.06 -3.43 0.07 0.00 -1.51 0.00 0.00 72.50 67.58 3d5d s THR 27 CO -0.19 -0.08 0.74 0.54 -2.21 0.00 0.00 174.62 173.42 3d5d s VAL 28 N -1.68 0.00 -0.06 5.08 0.11 0.19 -3.14 120.40 120.90 3d5d s VAL 28 Ca 0.66 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.74 3d5d s VAL 28 Cb -0.25 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3d5d s VAL 28 CO 0.30 0.00 -0.14 0.00 -3.33 0.00 0.00 175.10 171.93 3d5d s ARG 29 N 0.02 2.59 -0.06 1.54 1.70 -0.44 -2.63 118.95 121.67 3d5d s ARG 29 Ca -0.02 -0.69 0.04 0.00 -0.47 0.00 0.00 55.73 54.59 3d5d s ARG 29 Cb -0.04 -2.41 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 3d5d s ARG 29 CO 0.02 0.59 -0.18 0.14 -1.08 0.00 0.00 175.30 174.79 3d5d s VAL 30 N -0.64 1.52 -0.46 4.99 -7.23 -0.49 -0.62 120.40 117.47 3d5d s VAL 30 Ca 0.09 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.31 3d5d s VAL 30 Cb -0.11 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.54 3d5d s VAL 30 CO 0.01 0.44 0.71 -0.44 -0.31 0.00 0.00 175.10 175.50 3d5d s SER 31 N 0.20 6.33 -0.11 4.85 0.01 -1.01 -1.61 113.70 122.36 3d5d s SER 31 Ca -0.08 -0.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 3d5d s SER 31 Cb -0.14 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 3d5d s SER 31 CO 0.04 -0.88 0.22 -0.47 0.41 0.00 0.00 173.24 172.56 3d5d s TYR 32 N 3.03 3.58 -0.97 2.43 5.04 -1.20 -1.73 117.35 127.54 3d5d s TYR 32 Ca 0.24 0.61 -0.22 0.00 -2.44 0.00 0.00 57.07 55.27 3d5d s TYR 32 Cb -0.14 -2.11 -0.11 0.00 0.35 0.00 0.00 41.96 39.94 3d5d s TYR 32 CO 0.19 0.57 1.94 1.63 -1.34 0.00 0.00 175.55 178.54 3d5d n LYS 33 N 2.43 1.70 -3.09 4.97 5.02 -0.16 -3.19 118.16 125.84 3d5d n LYS 33 Ca -0.17 -2.16 -0.39 0.00 -2.02 0.00 0.00 58.31 53.57 3d5d n LYS 33 Cb 0.53 -3.22 -0.05 0.00 -0.02 0.00 0.00 35.03 32.28 3d5d n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d5d s VAL 34 N 6.69 5.07 -0.03 -0.18 1.01 -1.01 -4.84 120.40 127.10 3d5d s VAL 34 Ca 0.60 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.68 3d5d s VAL 34 Cb 0.09 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3d5d s VAL 34 CO 0.11 0.27 0.82 -1.59 0.00 0.00 0.00 175.10 174.70 3d5d s LYS 35 N 0.74 4.49 0.00 2.72 -2.85 -1.26 -0.27 119.74 123.31 3d5d s LYS 35 Ca 0.35 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.43 3d5d s LYS 35 Cb -0.17 -3.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.15 3d5d s LYS 35 CO 0.17 0.03 0.00 -1.91 0.10 0.00 0.00 175.35 173.74 3d5d n GLU 36 N 3.76 3.45 -0.21 1.78 4.07 0.11 -4.86 120.64 128.73 3d5d n GLU 36 Ca 0.02 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.13 3d5d n GLU 36 Cb 0.51 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 32.01 3d5d n GLU 36 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3d5d h GLY 37 N 0.00 0.82 0.00 8.31 0.00 -2.01 -3.40 103.07 106.79 3d5d h GLY 37 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3d5d h GLY 37 CO 0.00 -0.11 0.00 1.16 0.00 0.00 0.00 176.54 177.59 3d5d n ASN 38 N -5.11 0.00 -3.46 0.19 6.94 -1.26 -5.13 115.26 107.43 3d5d n ASN 38 Ca 0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.45 3d5d n ASN 38 Cb 0.34 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 37.89 3d5d n ASN 38 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3d5d n ARG 39 N -0.32 -0.73 -5.13 -3.83 1.85 -1.26 -5.06 116.66 102.18 3d5d n ARG 39 Ca 0.00 -1.58 -0.30 0.00 -1.00 0.00 0.00 57.85 54.97 3d5d n ARG 39 Cb 0.00 -0.88 -0.15 0.00 -1.05 0.00 0.00 32.46 30.37 3d5d n ARG 39 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3d5d s THR 40 N -2.90 2.02 0.00 8.89 2.01 -1.26 0.08 115.64 124.48 3d5d s THR 40 Ca 0.53 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3d5d s THR 40 Cb -0.02 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3d5d s THR 40 CO 0.37 0.49 0.00 -1.14 -0.69 0.00 0.00 174.62 173.64 3d5d n ARG 41 N 2.22 0.36 -2.67 4.92 0.00 0.63 -4.86 116.66 117.26 3d5d n ARG 41 Ca -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.60 3d5d n ARG 41 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.01 3d5d n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3d5d n ILE 42 N 0.00 0.93 -1.58 5.15 -5.35 -1.25 -2.41 119.36 114.84 3d5d n ILE 42 Ca 0.00 -3.00 -0.62 0.00 -0.27 0.00 0.00 62.75 58.86 3d5d n ILE 42 Cb 0.00 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.48 3d5d n ILE 42 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3d5d n GLN 43 N -0.08 0.36 -2.30 6.28 7.27 -1.19 -4.24 117.38 123.48 3d5d n GLN 43 Ca 0.09 0.12 -0.40 0.00 0.07 0.00 0.00 57.00 56.88 3d5d n GLN 43 Cb 0.82 -1.73 -0.03 0.00 2.41 0.00 0.00 30.24 31.71 3d5d n GLN 43 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3d5d s ASP 44 N 4.30 6.95 -0.23 1.69 1.11 -1.26 -3.22 116.67 126.02 3d5d s ASP 44 Ca 1.08 2.45 0.00 0.00 0.18 0.00 0.00 52.55 56.26 3d5d s ASP 44 Cb -1.34 -2.63 0.06 0.00 1.07 0.00 0.00 42.92 40.07 3d5d s ASP 44 CO 0.71 -0.38 -0.05 0.12 1.18 0.00 0.00 175.17 176.75 3d5d s PHE 45 N -1.20 2.24 -0.37 4.23 5.36 -0.63 -4.97 117.98 122.64 3d5d s PHE 45 Ca 0.48 -1.63 -0.06 0.00 -0.96 0.00 0.00 56.93 54.76 3d5d s PHE 45 Cb -0.35 -1.52 0.06 0.00 -0.34 0.00 0.00 43.02 40.88 3d5d s PHE 45 CO 0.45 -0.75 0.16 -2.00 -1.46 0.00 0.00 175.22 171.62 3d5d s GLU 46 N 1.45 2.49 0.21 10.12 2.56 -1.26 -1.40 118.70 132.87 3d5d s GLU 46 Ca -0.05 -1.38 -0.06 0.00 0.00 0.00 0.00 54.97 53.48 3d5d s GLU 46 Cb -0.18 -3.55 0.02 0.00 2.00 0.00 0.00 34.13 32.42 3d5d s GLU 46 CO -0.06 -0.82 0.39 0.41 -0.56 0.00 0.00 175.26 174.61 3d5d n GLY 47 N 4.79 1.77 3.95 -1.50 0.00 -1.08 -4.77 105.19 108.35 3d5d n GLY 47 Ca -0.10 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 3d5d n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d5d s ILE 48 N -2.55 5.26 -0.08 -0.61 1.09 -1.02 0.54 121.20 123.83 3d5d s ILE 48 Ca 0.11 -0.85 -0.23 0.00 -1.10 0.00 0.00 60.65 58.57 3d5d s ILE 48 Cb -0.02 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.56 3d5d s ILE 48 CO 0.08 -0.21 0.70 0.54 -0.10 0.00 0.00 174.94 175.95 3d5d s VAL 49 N -1.86 5.04 -0.06 2.92 0.11 -1.14 -2.23 120.40 123.17 3d5d s VAL 49 Ca 0.34 1.43 -0.10 0.00 -2.93 0.00 0.00 61.98 60.72 3d5d s VAL 49 Cb -0.10 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 3d5d s VAL 49 CO 0.29 0.23 -0.20 -0.38 -3.33 0.00 0.00 175.10 171.71 3d5d n ILE 50 N 3.90 1.37 -4.45 7.04 -0.00 -0.80 -3.15 119.36 123.26 3d5d n ILE 50 Ca -0.01 0.24 -0.32 0.00 -0.00 0.00 0.00 62.75 62.66 3d5d n ILE 50 Cb 0.51 -2.01 -0.10 0.00 -0.00 0.00 0.00 39.64 38.04 3d5d n ILE 50 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3d5d s ARG 51 N -2.50 2.52 -0.24 0.38 3.52 -1.25 -3.45 118.95 117.93 3d5d s ARG 51 Ca -0.16 -0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 54.66 3d5d s ARG 51 Cb 0.02 -2.49 0.08 0.00 -1.56 0.00 0.00 34.95 31.01 3d5d s ARG 51 CO 0.24 0.60 0.10 0.42 -0.81 0.00 0.00 175.30 175.84 3d5d s ILE 52 N -1.01 0.20 -0.70 4.11 1.01 -1.26 -0.43 121.20 123.12 3d5d s ILE 52 Ca 0.17 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 3d5d s ILE 52 Cb -0.11 -1.00 0.18 0.00 0.01 0.00 0.00 42.46 41.54 3d5d s ILE 52 CO 0.08 -0.50 0.64 -0.60 0.00 0.00 0.00 174.94 174.56 3d5d s ARG 53 N 1.98 3.31 -0.17 2.79 3.52 0.65 -5.00 118.95 126.04 3d5d s ARG 53 Ca 0.05 -2.13 -0.25 0.00 -0.13 0.00 0.00 55.73 53.27 3d5d s ARG 53 Cb -0.16 -4.35 -0.01 0.00 -1.56 0.00 0.00 34.95 28.86 3d5d s ARG 53 CO -0.22 -1.30 0.83 1.03 -0.81 0.00 0.00 175.30 174.83 3d5d s ARG 54 N 0.79 4.30 -0.40 5.12 0.52 -1.26 -2.29 118.95 125.73 3d5d s ARG 54 Ca 0.11 1.02 0.10 0.00 -0.52 0.00 0.00 55.73 56.45 3d5d s ARG 54 Cb -0.19 -3.57 0.37 0.00 0.52 0.00 0.00 34.95 32.08 3d5d s ARG 54 CO -0.04 -0.32 1.06 -1.71 0.02 0.00 0.00 175.30 174.31 3d5d n ASN 55 N 5.20 -0.80 0.00 0.23 5.15 -1.26 -5.03 115.26 118.75 3d5d n ASN 55 Ca 0.04 -3.04 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 3d5d n ASN 55 Cb 0.49 0.66 0.00 0.00 -0.53 0.00 0.00 39.78 40.39 3d5d n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d5d n GLY 56 N 0.02 3.00 0.08 8.20 0.00 -1.26 -4.57 105.19 110.65 3d5d n GLY 56 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3d5d n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d5d n PHE 57 N 8.91 -3.10 -2.74 1.61 -0.00 -1.26 -4.07 117.46 116.81 3d5d n PHE 57 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.45 57.31 3d5d n PHE 57 Cb 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.48 39.43 3d5d n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3d5d n ASN 58 N -3.04 -0.20 -4.37 -2.13 2.04 -1.26 -4.82 115.26 101.48 3d5d n ASN 58 Ca 0.00 -0.41 -0.45 0.00 -0.44 0.00 0.00 54.58 53.29 3d5d n ASN 58 Cb 0.01 -0.51 -0.05 0.00 -2.53 0.00 0.00 39.78 36.70 3d5d n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3d5d s THR 59 N -2.47 4.99 0.67 5.53 -1.32 -1.26 -4.74 115.64 117.04 3d5d s THR 59 Ca 0.15 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 3d5d s THR 59 Cb -0.09 -4.38 0.10 0.00 -1.51 0.00 0.00 72.50 66.63 3d5d s THR 59 CO 0.33 -0.94 0.93 0.42 -2.21 0.00 0.00 174.62 173.15 3d5d s THR 60 N 2.24 2.25 -0.00 5.08 -4.23 -0.97 -3.12 115.64 116.89 3d5d s THR 60 Ca 0.09 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 3d5d s THR 60 Cb -0.25 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3d5d s THR 60 CO 0.06 0.00 0.32 0.72 -0.54 0.00 0.00 174.62 175.19 3d5d s PHE 61 N -3.03 -0.18 0.12 3.99 -0.12 -0.78 -0.25 117.98 117.74 3d5d s PHE 61 Ca 0.64 0.23 0.07 0.00 -0.05 0.00 0.00 56.93 57.81 3d5d s PHE 61 Cb -0.06 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3d5d s PHE 61 CO 0.43 -0.43 -0.05 0.95 -0.05 0.00 0.00 175.22 176.06 3d5d s THR 62 N -1.64 3.60 -0.09 -4.49 -4.23 0.42 -0.33 115.64 108.87 3d5d s THR 62 Ca -0.11 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 3d5d s THR 62 Cb -0.04 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.12 3d5d s THR 62 CO 0.03 0.04 0.09 -0.69 -0.54 0.00 0.00 174.62 173.54 3d5d s VAL 63 N -1.40 -0.13 -0.05 2.29 1.01 0.67 -1.91 120.40 120.87 3d5d s VAL 63 Ca 0.24 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3d5d s VAL 63 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3d5d s VAL 63 CO 0.16 0.02 -0.03 -0.60 0.00 0.00 0.00 175.10 174.65 3d5d s ARG 64 N 2.18 2.82 0.18 2.72 3.52 -0.95 -0.79 118.95 128.64 3d5d s ARG 64 Ca 0.04 -0.53 -0.07 0.00 -0.13 0.00 0.00 55.73 55.04 3d5d s ARG 64 Cb -0.13 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.56 3d5d s ARG 64 CO -0.06 0.66 0.26 -1.59 -0.81 0.00 0.00 175.30 173.77 3d5d s LYS 65 N -1.07 1.20 -0.07 5.12 -2.85 0.42 -2.42 119.74 120.08 3d5d s LYS 65 Ca 0.15 -1.31 -0.19 0.00 -1.00 0.00 0.00 55.97 53.63 3d5d s LYS 65 Cb -0.11 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 3d5d s LYS 65 CO 0.04 -0.43 0.51 0.08 0.10 0.00 0.00 175.35 175.65 3d5d s VAL 66 N -4.02 5.08 -0.33 1.79 1.01 -1.26 -0.76 120.40 121.90 3d5d s VAL 66 Ca 0.23 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 3d5d s VAL 66 Cb 0.04 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.70 3d5d s VAL 66 CO 0.04 0.39 0.20 -0.55 0.00 0.00 0.00 175.10 175.18 3d5d s SER 67 N 0.15 2.93 -1.64 3.32 0.15 0.23 -4.91 113.70 113.92 3d5d s SER 67 Ca 0.28 -1.70 -0.02 0.00 0.70 0.00 0.00 55.95 55.20 3d5d s SER 67 Cb -0.16 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 3d5d s SER 67 CO 0.13 -0.36 0.26 -1.22 1.20 0.00 0.00 173.24 173.25 3d5d n TYR 68 N 4.59 -1.45 0.00 3.44 0.53 -1.26 -1.78 117.16 121.24 3d5d n TYR 68 Ca 0.04 0.23 0.00 0.00 -1.02 0.00 0.00 57.90 57.15 3d5d n TYR 68 Cb 0.40 -4.09 0.00 0.00 -1.03 0.00 0.00 39.34 34.62 3d5d n TYR 68 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3d5d n GLY 69 N -1.22 2.38 3.68 2.72 0.00 -1.26 -5.07 105.19 106.42 3d5d n GLY 69 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3d5d n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d5d s VAL 70 N -2.29 4.11 -0.14 1.61 1.01 -0.73 -5.10 120.40 118.86 3d5d s VAL 70 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3d5d s VAL 70 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3d5d s VAL 70 CO 0.00 0.30 0.37 -0.83 0.00 0.00 0.00 175.10 174.94 3d5d s GLY 71 N -1.79 2.29 -0.04 4.51 0.00 -1.26 0.75 107.32 111.78 3d5d s GLY 71 Ca 0.21 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.64 3d5d s GLY 71 CO 0.13 0.56 -0.19 0.14 0.00 0.00 0.00 173.10 173.74 3d5d s VAL 72 N 0.49 1.54 0.13 1.40 1.01 0.06 -4.94 120.40 120.10 3d5d s VAL 72 Ca 0.21 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3d5d s VAL 72 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3d5d s VAL 72 CO 0.07 0.44 -0.19 -1.61 0.00 0.00 0.00 175.10 173.81 3d5d s GLU 73 N -0.04 1.74 -0.03 2.72 2.02 -1.26 -0.43 118.70 123.41 3d5d s GLU 73 Ca -0.03 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 3d5d s GLU 73 Cb -0.11 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.08 3d5d s GLU 73 CO 0.02 0.46 0.07 1.03 0.02 0.00 0.00 175.26 176.86 3d5d s ARG 74 N -2.27 0.02 -0.24 1.61 0.52 0.03 -4.94 118.95 113.68 3d5d s ARG 74 Ca 0.19 0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 55.52 3d5d s ARG 74 Cb -0.10 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 3d5d s ARG 74 CO 0.10 -0.13 0.14 0.42 0.02 0.00 0.00 175.30 175.84 3d5d s ILE 75 N 0.89 5.11 -0.13 1.52 1.09 -1.26 -0.24 121.20 128.17 3d5d s ILE 75 Ca -0.07 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.58 3d5d s ILE 75 Cb -0.10 -3.38 -0.00 0.00 -1.06 0.00 0.00 42.46 37.92 3d5d s ILE 75 CO -0.03 0.35 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.63 3d5d s PHE 76 N 1.13 2.73 -0.07 3.97 2.99 0.55 -4.93 117.98 124.35 3d5d s PHE 76 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 56.93 55.75 3d5d s PHE 76 Cb -0.14 -1.83 -0.07 0.00 0.00 0.00 0.00 43.02 40.98 3d5d s PHE 76 CO 0.05 -0.40 2.01 -2.14 -0.00 0.00 0.00 175.22 174.74 3d5d s PRO 77 N 0.58 3.78 0.13 0.24 0.02 -1.26 -1.86 135.00 136.63 3d5d s PRO 77 Ca -0.10 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 3d5d s PRO 77 Cb -0.16 -4.22 -0.07 0.00 0.02 0.00 0.00 34.50 30.07 3d5d s PRO 77 CO 0.04 -1.36 1.57 1.25 -0.33 0.00 0.00 177.00 178.17 3d5d h LEU 78 N 12.15 -1.47 -3.14 -5.54 6.46 -1.88 -1.32 115.31 120.57 3d5d h LEU 78 Ca -0.45 0.19 -0.24 0.00 -0.12 0.00 0.00 57.88 57.25 3d5d h LEU 78 Cb 1.23 0.59 -0.12 0.00 -0.73 0.00 0.00 40.66 41.63 3d5d h LEU 78 CO 0.95 -0.44 0.31 1.41 -0.62 0.00 0.00 178.44 180.05 3d5d n HIS 79 N -5.44 1.26 -2.43 1.25 8.25 -1.26 -4.93 115.22 111.93 3d5d n HIS 79 Ca -0.04 -1.48 -0.41 0.00 -0.26 0.00 0.00 57.72 55.52 3d5d n HIS 79 Cb 0.37 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 3d5d n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3d5d s SER 80 N 0.31 7.13 0.00 0.41 0.15 -0.50 -4.79 113.70 116.40 3d5d s SER 80 Ca 0.25 2.11 0.11 0.00 0.70 0.00 0.00 55.95 59.11 3d5d s SER 80 Cb 0.20 -2.59 0.63 0.00 -1.71 0.00 0.00 66.02 62.55 3d5d s SER 80 CO 0.02 -0.37 1.06 -2.65 1.20 0.00 0.00 173.24 172.49 3d5d n PRO 81 N 3.04 0.38 -0.16 5.44 -0.02 -1.26 -2.30 135.00 140.13 3d5d n PRO 81 Ca 0.06 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3d5d n PRO 81 Cb 0.46 -1.43 0.14 0.00 -0.02 0.00 0.00 33.50 32.65 3d5d n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d5d n LEU 82 N -0.93 2.82 -4.41 2.45 4.77 -1.26 -4.79 117.00 115.65 3d5d n LEU 82 Ca 0.08 -1.83 -0.45 0.00 -0.03 0.00 0.00 56.01 53.79 3d5d n LEU 82 Cb 0.04 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3d5d n LEU 82 CO 0.06 0.68 1.06 -0.63 -1.33 0.00 0.00 177.39 177.23 3d5d s ILE 83 N -1.00 5.36 0.00 -0.08 1.01 -0.97 -0.99 121.20 124.53 3d5d s ILE 83 Ca 0.23 -2.74 0.00 0.00 0.00 0.00 0.00 60.65 58.14 3d5d s ILE 83 Cb 0.12 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3d5d s ILE 83 CO 0.16 -1.42 0.97 1.67 0.00 0.00 0.00 174.94 176.33 3d5d n GLN 84 N 4.67 0.00 -3.61 2.79 -0.06 -0.70 -4.60 117.38 115.87 3d5d n GLN 84 Ca 0.29 0.87 -0.19 0.00 -2.00 0.00 0.00 57.00 55.96 3d5d n GLN 84 Cb 0.43 -1.47 -0.15 0.00 -4.06 0.00 0.00 30.24 24.98 3d5d n GLN 84 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3d5d s LYS 85 N -2.89 0.07 -0.41 3.69 1.02 -1.25 -5.02 119.74 114.95 3d5d s LYS 85 Ca 0.00 0.32 -0.20 0.00 0.02 0.00 0.00 55.97 56.11 3d5d s LYS 85 Cb 0.00 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.47 3d5d s LYS 85 CO 0.00 -0.47 0.60 -1.50 -0.92 0.00 0.00 175.35 173.06 3d5d s ILE 86 N 2.26 4.89 -0.15 2.17 -1.16 -1.26 -2.41 121.20 125.53 3d5d s ILE 86 Ca 0.04 0.18 -0.03 0.00 -0.51 0.00 0.00 60.65 60.32 3d5d s ILE 86 Cb -0.14 -4.13 -0.03 0.00 0.61 0.00 0.00 42.46 38.77 3d5d s ILE 86 CO -0.08 -0.48 -0.04 -1.81 -2.81 0.00 0.00 174.94 169.72 3d5d s ASP 87 N 1.91 4.75 0.21 4.50 1.11 0.21 -4.58 116.67 124.79 3d5d s ASP 87 Ca 0.21 -0.14 -0.27 0.00 0.18 0.00 0.00 52.55 52.54 3d5d s ASP 87 Cb -0.15 -1.77 -0.08 0.00 1.07 0.00 0.00 42.92 41.99 3d5d s ASP 87 CO 0.17 0.17 0.84 -0.51 1.18 0.00 0.00 175.17 177.02 3d5d s ILE 88 N 0.37 4.26 0.00 0.77 1.10 -1.26 -1.33 121.20 125.11 3d5d s ILE 88 Ca -0.04 1.82 0.00 0.00 -0.51 0.00 0.00 60.65 61.92 3d5d s ILE 88 Cb -0.14 -4.18 0.00 0.00 0.15 0.00 0.00 42.46 38.29 3d5d s ILE 88 CO 0.03 0.47 0.00 0.55 -2.11 0.00 0.00 174.94 173.88 3d5d n VAL 89 N 1.43 0.00 -3.61 4.00 3.14 -1.20 -4.94 118.33 117.15 3d5d n VAL 89 Ca -0.04 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.31 3d5d n VAL 89 Cb 0.48 -0.72 -0.06 0.00 -1.06 0.00 0.00 33.84 32.48 3d5d n VAL 89 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3d5d s GLN 90 N -1.93 0.50 0.11 1.45 2.00 -1.19 -5.05 119.66 115.55 3d5d s GLN 90 Ca 0.00 0.96 0.03 0.00 -2.00 0.00 0.00 55.36 54.35 3d5d s GLN 90 Cb 0.00 0.27 -0.04 0.00 0.80 0.00 0.00 33.01 34.04 3d5d s GLN 90 CO 0.00 -0.12 0.14 1.03 -0.50 0.00 0.00 175.29 175.83 3d5d s ARG 91 N 1.83 3.01 0.35 1.67 0.52 -1.26 -1.49 118.95 123.57 3d5d s ARG 91 Ca -0.08 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 3d5d s ARG 91 Cb -0.06 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 3d5d s ARG 91 CO -0.17 0.54 0.41 0.20 0.02 0.00 0.00 175.30 176.30 3d5d s GLY 92 N -2.74 1.83 0.16 -3.53 0.00 -0.32 -3.08 107.32 99.64 3d5d s GLY 92 Ca 0.31 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 3d5d s GLY 92 CO 0.24 -1.18 1.26 -1.60 0.00 0.00 0.00 173.10 171.83 3d5d s ARG 93 N -3.13 4.42 0.00 2.90 6.06 -1.18 -4.23 118.95 123.78 3d5d s ARG 93 Ca 0.34 1.95 0.00 0.00 -2.50 0.00 0.00 55.73 55.52 3d5d s ARG 93 Cb 0.00 -3.25 0.00 0.00 0.06 0.00 0.00 34.95 31.77 3d5d s ARG 93 CO 0.24 -0.23 0.00 0.00 -2.50 0.00 0.00 175.30 172.81 3d5d n ALA 94 N 3.04 0.00 -1.62 6.12 0.00 -1.26 -4.31 120.51 122.47 3d5d n ALA 94 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 3d5d n ALA 94 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 3d5d n ALA 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3d5d n ARG 95 N -0.83 -1.20 -3.71 0.00 3.00 -1.26 -4.92 116.66 107.74 3d5d n ARG 95 Ca 0.00 1.05 -0.04 0.00 -0.00 0.00 0.00 57.85 58.85 3d5d n ARG 95 Cb 0.00 -5.30 -0.01 0.00 0.00 0.00 0.00 32.46 27.15 3d5d n ARG 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3d5d s ARG 96 N -3.66 1.15 0.00 -0.14 6.06 -1.26 -5.12 118.95 115.99 3d5d s ARG 96 Ca 0.00 -0.61 0.00 0.00 -2.50 0.00 0.00 55.73 52.62 3d5d s ARG 96 Cb 0.00 0.41 0.00 0.00 0.06 0.00 0.00 34.95 35.42 3d5d s ARG 96 CO 0.00 -0.52 0.00 0.00 -2.50 0.00 0.00 175.30 172.28 3d5d n ALA 97 N -0.44 1.28 -2.87 6.12 0.00 -1.26 -4.88 120.51 118.46 3d5d n ALA 97 Ca -0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3d5d n ALA 97 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 3d5d n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3d5d s LYS 98 N -0.23 3.11 -0.96 0.00 3.01 -1.26 -4.72 119.74 118.69 3d5d s LYS 98 Ca 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 55.97 54.10 3d5d s LYS 98 Cb 0.00 -4.22 0.33 0.00 -1.01 0.00 0.00 37.83 32.93 3d5d s LYS 98 CO 0.00 -1.77 1.80 1.47 0.51 0.00 0.00 175.35 177.36 3d5d n LEU 99 N 7.55 7.18 0.25 3.17 -0.00 -1.22 -4.70 117.00 129.23 3d5d n LEU 99 Ca -0.04 -5.30 0.17 0.00 -0.00 0.00 0.00 56.01 50.84 3d5d n LEU 99 Cb 0.45 -1.10 0.84 0.00 -0.00 0.00 0.00 43.42 43.61 3d5d n LEU 99 CO 0.63 2.02 1.01 1.88 -0.00 0.00 0.00 177.39 182.93 3d5d h TYR 100 N 3.88 0.00 0.00 1.47 -1.99 -1.93 -3.00 116.97 115.40 3d5d h TYR 100 Ca 0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.25 3d5d h TYR 100 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3d5d h TYR 100 CO 1.27 0.00 0.21 0.27 -0.00 0.00 0.00 178.16 179.92 3d5d h PHE 101 N 0.00 0.00 0.00 4.88 -0.00 -2.01 0.23 116.94 120.04 3d5d h PHE 101 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.89 3d5d h PHE 101 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.11 3d5d h PHE 101 CO 0.00 0.00 -0.37 -0.84 -0.00 0.00 0.00 178.31 177.10 3d5d h ILE 102 N 0.00 1.15 -0.57 0.88 3.07 -1.86 -2.35 117.51 117.83 3d5d h ILE 102 Ca 0.00 -1.30 0.11 0.00 1.55 0.00 0.00 64.86 65.22 3d5d h ILE 102 Cb 0.43 1.72 -0.08 0.00 -0.27 0.00 0.00 36.82 38.62 3d5d h ILE 102 CO 0.00 0.36 0.10 0.03 -1.05 0.00 0.00 178.15 177.59 3d5d h ARG 103 N 0.00 0.22 0.02 0.16 3.08 -0.80 -2.55 114.38 114.51 3d5d h ARG 103 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3d5d h ARG 103 Cb 0.69 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3d5d h ARG 103 CO 0.05 0.15 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.11 3d5d h ASN 104 N 0.23 -0.23 -3.08 7.04 2.35 -1.56 -3.34 115.58 116.99 3d5d h ASN 104 Ca 0.29 0.02 -0.69 0.00 -0.55 0.00 0.00 56.30 55.38 3d5d h ASN 104 Cb 0.43 0.08 -0.36 0.00 0.05 0.00 0.00 38.32 38.53 3d5d h ASN 104 CO -0.40 -0.08 -0.11 0.18 -1.65 0.00 0.00 177.43 175.38 3d5d n LEU 105 N -2.88 4.29 -4.22 1.61 4.77 -1.13 -4.96 117.00 114.48 3d5d n LEU 105 Ca -0.01 -5.20 -0.43 0.00 -0.03 0.00 0.00 56.01 50.34 3d5d n LEU 105 Cb 0.06 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3d5d n LEU 105 CO 0.02 1.67 1.63 -1.54 -1.33 0.00 0.00 177.39 177.84 3d5d n SER 106 N 1.93 5.18 0.00 -1.43 3.41 -0.97 -3.83 113.62 117.91 3d5d n SER 106 Ca 0.23 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 3d5d n SER 106 Cb 0.37 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 3d5d n SER 106 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d5d n ASP 107 N 4.88 0.00 0.00 4.04 3.85 -1.26 -4.96 116.55 123.09 3d5d n ASP 107 Ca 0.38 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.53 3d5d n ASP 107 Cb 0.40 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 40.58 3d5d n ASP 107 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3d5d n ARG 108 N 0.00 0.31 -0.00 0.11 -4.01 -1.26 -1.44 116.66 110.36 3d5d n ARG 108 Ca 0.00 0.10 -0.08 0.00 -1.04 0.00 0.00 57.85 56.82 3d5d n ARG 108 Cb 0.00 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 27.78 3d5d n ARG 108 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 3d5d h GLU 109 N 0.00 0.00 0.00 2.89 5.08 -1.95 -3.29 114.58 117.32 3d5d h GLU 109 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3d5d h GLU 109 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3d5d h GLU 109 CO 0.00 0.60 0.00 0.97 -1.00 0.00 0.00 179.01 179.58 3d5d h ILE 110 N 0.00 0.00 0.18 3.13 6.09 -1.35 0.19 117.51 125.75 3d5d h ILE 110 Ca -0.23 -0.13 -0.34 0.00 -1.37 0.00 0.00 64.86 62.79 3d5d h ILE 110 Cb 1.97 0.93 0.01 0.00 0.47 0.00 0.00 36.82 40.19 3d5d h ILE 110 CO 0.09 0.00 -1.69 0.03 -3.07 0.00 0.00 178.15 173.51 3d5d h ARG 111 N 0.00 0.38 0.00 2.19 3.08 -1.63 -2.60 114.38 115.80 3d5d h ARG 111 Ca 0.00 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 59.41 3d5d h ARG 111 Cb 0.15 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3d5d h ARG 111 CO 0.00 1.28 -0.21 2.89 -1.07 0.00 0.00 179.97 182.87 3d5d n ARG 112 N -3.57 0.03 0.04 0.04 -4.01 -0.72 -3.38 116.66 105.09 3d5d n ARG 112 Ca -0.22 0.02 -0.22 0.00 -1.04 0.00 0.00 57.85 56.38 3d5d n ARG 112 Cb 1.07 -1.53 -0.14 0.00 -3.04 0.00 0.00 32.46 28.82 3d5d n ARG 112 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 3d5d h LYS 113 N 0.00 0.32 -4.38 2.89 1.63 -0.74 -3.40 116.57 112.89 3d5d h LYS 113 Ca 0.00 -0.55 -0.74 0.00 -0.85 0.00 0.00 60.65 58.51 3d5d h LYS 113 Cb 0.53 0.21 -0.22 0.00 -0.60 0.00 0.00 32.23 32.14 3d5d h LYS 113 CO 0.00 1.26 0.40 -0.51 -3.45 0.00 0.00 179.45 177.15 3d5d s LEU 114 N -7.41 5.97 0.00 5.20 1.43 -0.98 -4.94 118.68 117.95 3d5d s LEU 114 Ca -0.18 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 50.58 3d5d s LEU 114 Cb 0.05 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3d5d s LEU 114 CO 0.81 -0.81 0.00 0.54 0.23 0.00 0.00 176.35 177.12 3d5d n ARG 115 N 5.19 1.14 -4.02 1.70 5.12 -1.26 -4.68 116.66 119.86 3d5d n ARG 115 Ca 0.16 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.77 3d5d n ARG 115 Cb 0.47 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.62 3d5d n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d5d s ALA 116 N -2.24 2.49 -1.08 7.54 0.00 -1.26 -3.11 121.76 124.09 3d5d s ALA 116 Ca 0.00 -1.86 -0.24 0.00 0.00 0.00 0.00 51.96 49.86 3d5d s ALA 116 Cb 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 3d5d s ALA 116 CO 0.00 -1.33 2.00 0.34 0.00 0.00 0.00 175.76 176.77 3d5d s ASP 117 N 1.13 4.69 0.57 0.00 2.15 -1.18 -4.71 116.67 119.32 3d5d s ASP 117 Ca -0.03 -1.22 0.26 0.00 0.43 0.00 0.00 52.55 51.99 3d5d s ASP 117 Cb -0.19 -2.58 1.63 0.00 -0.30 0.00 0.00 42.92 41.47 3d5d s ASP 117 CO -0.07 -3.37 2.19 0.03 -0.17 0.00 0.00 175.17 173.78 3d5d h ARG 118 N 10.59 0.00 0.44 4.34 3.08 -1.95 0.15 114.38 131.03 3d5d h ARG 118 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3d5d h ARG 118 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3d5d h ARG 118 CO 1.17 0.00 -0.44 -0.22 -1.07 0.00 0.00 179.97 179.41 3d5d h LYS 119 N 0.00 -0.85 -0.16 0.04 3.64 -2.00 0.91 116.57 118.15 3d5d h LYS 119 Ca 0.03 0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3d5d h LYS 119 Cb 0.13 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3d5d h LYS 119 CO -0.00 -0.56 -0.51 0.00 -2.27 0.00 0.00 179.45 176.10 3d5d h ARG 120 N -0.88 0.45 -0.30 1.90 3.08 -1.86 -2.70 114.38 114.07 3d5d h ARG 120 Ca -0.06 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 59.79 3d5d h ARG 120 Cb 0.76 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 3d5d h ARG 120 CO -0.05 0.86 -0.13 0.82 -1.07 0.00 0.00 179.97 180.40 3d5d h ILE 121 N 0.35 0.58 0.55 2.04 2.04 -0.54 0.34 117.51 122.88 3d5d h ILE 121 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3d5d h ILE 121 Cb 1.02 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3d5d h ILE 121 CO 0.09 0.00 -0.26 0.44 0.00 0.00 0.00 178.15 178.42 3d5d h ASP 122 N -0.08 -0.62 -1.00 1.72 5.19 -0.79 -2.13 116.42 118.70 3d5d h ASP 122 Ca 0.15 -0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.75 3d5d h ASP 122 Cb 0.32 0.16 -0.11 0.00 0.18 0.00 0.00 39.33 39.88 3d5d h ASP 122 CO -0.35 -0.39 0.61 0.11 -3.12 0.00 0.00 179.24 176.10 3d5d h LYS 123 N -0.82 0.73 0.00 3.56 1.57 -1.14 0.84 116.57 121.31 3d5d h LYS 123 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3d5d h LYS 123 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3d5d h LYS 123 CO 0.12 0.48 0.00 -0.25 -0.57 0.00 0.00 179.45 179.24 3d5d n ASP 124 N -4.77 0.00 -0.31 0.86 9.92 0.12 -1.23 116.55 121.14 3d5d n ASP 124 Ca 0.24 0.66 0.17 0.00 -0.53 0.00 0.00 54.79 55.33 3d5d n ASP 124 Cb 0.59 -0.29 0.42 0.00 -0.64 0.00 0.00 41.12 41.19 3d5d n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3d5d h ARG 125 N 0.00 0.56 0.35 -1.24 2.47 -1.31 0.66 114.38 115.87 3d5d h ARG 125 Ca 0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3d5d h ARG 125 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3d5d h ARG 125 CO 0.00 0.37 -0.17 0.00 0.56 0.00 0.00 179.97 180.73 3d5d h ALA 126 N 1.63 -0.82 -0.82 0.04 0.00 -0.92 -2.31 119.26 116.05 3d5d h ALA 126 Ca 0.54 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.56 3d5d h ALA 126 Cb 1.11 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3d5d h ALA 126 CO -0.29 -0.78 0.57 0.00 0.00 0.00 0.00 179.25 178.74 3d5d h ALA 127 N -1.63 2.47 0.27 0.00 0.00 -0.67 0.56 119.26 120.25 3d5d h ALA 127 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3d5d h ALA 127 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3d5d h ALA 127 CO 0.08 -0.71 -0.13 0.93 0.00 0.00 0.00 179.25 179.41 3d5d h GLU 128 N 0.20 -0.35 0.00 0.00 5.08 -0.90 -1.94 114.58 116.66 3d5d h GLU 128 Ca 0.41 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3d5d h GLU 128 Cb 1.30 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3d5d h GLU 128 CO -0.08 -0.23 0.00 0.54 -1.00 0.00 0.00 179.01 178.23 3d5d n ARG 129 N -3.14 0.11 -0.04 2.33 1.74 -0.87 -1.76 116.66 115.03 3d5d n ARG 129 Ca -0.04 0.25 -0.20 0.00 -0.77 0.00 0.00 57.85 57.09 3d5d n ARG 129 Cb 0.14 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 29.78 3d5d n ARG 129 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d5d h ALA 130 N 2.52 0.16 0.00 7.54 0.00 0.03 -3.33 119.26 126.18 3d5d h ALA 130 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3d5d h ALA 130 Cb 0.41 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3d5d h ALA 130 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3d5d h ALA 131 N -0.15 1.00 -0.04 0.00 0.00 -1.27 -3.18 119.26 115.62 3d5d h ALA 131 Ca -0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3d5d h ALA 131 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3d5d h ALA 131 CO -0.02 0.00 0.01 0.87 0.00 0.00 0.00 179.25 180.11 3d5d h LYS 132 N 0.00 0.07 0.00 0.00 1.57 -1.48 -1.55 116.57 115.18 3d5d h LYS 132 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3d5d h LYS 132 Cb 0.67 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3d5d h LYS 132 CO 0.00 0.27 -0.10 0.93 -0.57 0.00 0.00 179.45 179.98 3d5d h GLU 133 N -0.15 0.00 -0.15 3.15 5.08 -1.65 -0.88 114.58 119.98 3d5d h GLU 133 Ca 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3d5d h GLU 133 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3d5d h GLU 133 CO 0.00 0.10 -0.58 0.93 -1.00 0.00 0.00 179.01 178.46 3d5d h GLU 134 N 0.00 0.65 0.00 2.33 4.39 -1.51 -2.71 114.58 117.73 3d5d h GLU 134 Ca -0.00 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 3d5d h GLU 134 Cb 0.23 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3d5d h GLU 134 CO 0.01 1.12 -0.01 0.28 -1.16 0.00 0.00 179.01 179.26 3d5d h VAL 135 N 0.32 0.02 0.12 3.13 2.07 -0.65 -3.29 116.25 117.98 3d5d h VAL 135 Ca -0.03 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3d5d h VAL 135 Cb 1.21 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3d5d h VAL 135 CO 0.12 0.01 -0.06 1.56 0.02 0.00 0.00 177.57 179.22 3d5d h GLN 136 N 0.00 -0.15 -0.00 1.57 4.20 -1.04 -3.51 115.11 116.17 3d5d h GLN 136 Ca -0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3d5d h GLN 136 Cb 0.52 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3d5d h GLN 136 CO 0.00 -0.10 0.00 1.63 -0.67 0.00 0.00 178.83 179.69