#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 s ALA 60 N 0.00 3.46 0.16 3.04 0.00 -1.26 -4.79 121.76 122.37 1pn5 s ALA 60 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1pn5 s ALA 60 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1pn5 s ALA 60 CO 0.00 0.24 -0.03 0.20 0.00 0.00 0.00 175.76 176.17 1pn5 s GLY 61 N -2.79 1.15 -0.94 0.00 0.00 -0.95 -4.91 107.32 98.88 1pn5 s GLY 61 Ca 0.49 -1.55 -0.24 0.00 0.00 0.00 0.00 44.72 43.42 1pn5 s GLY 61 CO 0.26 -1.55 1.58 -0.32 0.00 0.00 0.00 173.10 173.07 1pn5 s GLY 62 N -3.17 0.89 -1.79 0.20 0.00 -1.26 -3.05 107.32 99.15 1pn5 s GLY 62 Ca 0.21 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1pn5 s GLY 62 CO 0.02 2.92 0.00 0.00 0.00 0.00 0.00 173.10 176.05 1pn5 n ALA 63 N 10.43 -0.38 -4.11 3.20 0.00 -1.26 -4.93 120.51 123.45 1pn5 n ALA 63 Ca 0.31 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.78 1pn5 n ALA 63 Cb 0.50 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 1pn5 n ALA 63 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1pn5 n TRP 64 N -3.09 -0.42 0.00 0.00 4.27 -1.17 -4.96 117.44 112.07 1pn5 n TRP 64 Ca -0.20 -2.26 0.00 0.00 -3.89 0.00 0.00 57.50 51.15 1pn5 n TRP 64 Cb 0.63 0.16 0.00 0.00 -1.36 0.00 0.00 31.31 30.74 1pn5 n TRP 64 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pn5 n GLY 65 N -0.45 -0.62 0.33 -1.67 0.00 -1.26 -2.24 105.19 99.29 1pn5 n GLY 65 Ca 0.03 0.24 0.17 0.00 0.00 0.00 0.00 46.02 46.46 1pn5 n GLY 65 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pn5 h ARG 66 N 0.00 0.00 -0.87 1.61 0.11 -1.98 -1.88 114.38 111.37 1pn5 h ARG 66 Ca 0.00 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.27 1pn5 h ARG 66 Cb 0.00 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 30.97 1pn5 h ARG 66 CO 0.00 0.00 0.40 -0.07 0.10 0.00 0.00 179.97 180.40 1pn5 h LEU 67 N 0.00 0.40 -1.98 0.08 4.07 -1.97 -2.22 115.31 113.69 1pn5 h LEU 67 Ca 0.07 0.13 0.04 0.00 0.08 0.00 0.00 57.88 58.20 1pn5 h LEU 67 Cb 0.44 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1pn5 h LEU 67 CO -0.00 0.09 0.11 0.00 -1.08 0.00 0.00 178.44 177.56 1pn5 h ALA 68 N 1.64 2.12 -0.41 1.53 0.00 -1.62 -1.38 119.26 121.15 1pn5 h ALA 68 Ca 0.51 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 1pn5 h ALA 68 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1pn5 h ALA 68 CO -0.46 -0.16 -0.12 0.00 0.00 0.00 0.00 179.25 178.51 1pn5 h TYR 70 N 0.66 0.00 -0.67 0.00 -1.99 -1.36 -2.92 116.97 110.69 1pn5 h TYR 70 Ca 0.11 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.46 1pn5 h TYR 70 Cb 0.59 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.10 1pn5 h TYR 70 CO 0.03 0.04 0.20 1.28 -0.00 0.00 0.00 178.16 179.72 1pn5 n LEU 71 N -3.23 5.49 0.00 3.88 4.77 -0.65 -4.26 117.00 123.00 1pn5 n LEU 71 Ca -0.01 -3.90 0.00 0.00 -0.03 0.00 0.00 56.01 52.07 1pn5 n LEU 71 Cb 0.24 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1pn5 n LEU 71 CO 0.26 1.31 -0.19 1.21 -1.33 0.00 0.00 177.39 178.65 1pn5 n GLU 72 N -1.07 2.22 0.03 3.23 2.13 -1.10 -3.88 120.64 122.20 1pn5 n GLU 72 Ca 0.46 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.16 1pn5 n GLU 72 Cb 1.17 -0.69 -0.09 0.00 0.27 0.00 0.00 31.44 32.10 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1pn5 h PHE 73 N 0.00 -0.08 -4.29 4.31 -5.15 -1.74 -3.42 116.94 106.57 1pn5 h PHE 73 Ca 0.00 -0.00 -0.50 0.00 -0.20 0.00 0.00 57.97 57.26 1pn5 h PHE 73 Cb 0.26 0.03 0.11 0.00 0.22 0.00 0.00 35.95 36.57 1pn5 h PHE 73 CO 0.00 0.28 0.34 -0.48 -2.00 0.00 0.00 178.31 176.45 1pn5 s LEU 74 N -9.47 2.89 0.00 2.10 0.05 -1.26 -5.10 118.68 107.89 1pn5 s LEU 74 Ca -0.15 1.59 0.01 0.00 0.05 0.00 0.00 54.13 55.63 1pn5 s LEU 74 Cb 0.03 -4.31 -0.00 0.00 -2.05 0.00 0.00 46.19 39.85 1pn5 s LEU 74 CO 0.64 -1.85 0.03 0.29 -0.55 0.00 0.00 176.35 174.92 1pn5 n LYS 75 N -3.38 1.01 -0.26 1.48 4.01 -1.26 -4.82 118.16 114.93 1pn5 n LYS 75 Ca 0.08 -2.51 0.22 0.00 -0.51 0.00 0.00 58.31 55.59 1pn5 n LYS 75 Cb 0.54 0.87 0.41 0.00 -0.51 0.00 0.00 35.03 36.35 1pn5 n LYS 75 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1pn5 n LYS 76 N -0.80 -0.05 -0.33 1.97 0.00 -1.26 -0.44 118.16 117.24 1pn5 n LYS 76 Ca -0.11 1.14 -0.05 0.00 -0.00 0.00 0.00 58.31 59.29 1pn5 n LYS 76 Cb 0.44 -1.98 -0.01 0.00 -0.00 0.00 0.00 35.03 33.48 1pn5 n LYS 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1pn5 h GLU 77 N 0.00 -0.06 0.00 -1.58 5.08 -2.01 -2.20 114.58 113.80 1pn5 h GLU 77 Ca 0.64 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.97 1pn5 h GLU 77 Cb 1.61 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1pn5 h GLU 77 CO -0.66 -0.04 -1.38 0.39 -1.00 0.00 0.00 179.01 176.32 1pn5 n GLU 78 N -5.41 0.87 -0.33 2.33 1.02 -0.31 -4.19 120.64 114.63 1pn5 n GLU 78 Ca 0.06 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1pn5 n GLU 78 Cb 0.36 -1.18 0.28 0.00 -0.02 0.00 0.00 31.44 30.87 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1pn5 h LEU 79 N 0.00 0.86 0.00 -4.62 5.85 -0.74 0.27 115.31 116.93 1pn5 h LEU 79 Ca -0.05 0.04 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1pn5 h LEU 79 Cb 0.61 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.53 1pn5 h LEU 79 CO 0.00 0.46 -1.07 0.11 -0.34 0.00 0.00 178.44 177.60 1pn5 h LYS 80 N 0.92 0.67 0.00 1.25 1.79 -1.61 0.26 116.57 119.85 1pn5 h LYS 80 Ca 0.47 -0.74 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1pn5 h LYS 80 Cb 0.52 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1pn5 h LYS 80 CO -0.24 1.32 0.00 0.39 -1.08 0.00 0.00 179.45 179.84 1pn5 n GLU 81 N -3.83 0.10 0.00 3.15 1.02 -0.88 -0.59 120.64 119.61 1pn5 n GLU 81 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1pn5 n GLU 81 Cb 0.90 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1pn5 n GLU 81 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pn5 n PHE 82 N -0.96 0.00 -0.26 -0.32 7.35 0.03 -4.54 117.46 118.77 1pn5 n PHE 82 Ca 0.02 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.89 1pn5 n PHE 82 Cb 0.01 0.00 0.48 0.00 0.35 0.00 0.00 39.48 40.32 1pn5 n PHE 82 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1pn5 h GLN 83 N 0.00 0.46 0.03 -4.13 4.15 -0.35 0.25 115.11 115.52 1pn5 h GLN 83 Ca 0.00 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.19 1pn5 h GLN 83 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1pn5 h GLN 83 CO 0.00 0.30 -1.08 1.37 -1.93 0.00 0.00 178.83 177.49 1pn5 h LEU 84 N 0.47 0.08 -2.41 -2.39 8.10 -1.07 -3.31 115.31 114.79 1pn5 h LEU 84 Ca 0.49 -0.68 0.02 0.00 0.11 0.00 0.00 57.88 57.82 1pn5 h LEU 84 Cb 1.12 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.31 1pn5 h LEU 84 CO -0.21 1.44 0.17 -0.07 -4.11 0.00 0.00 178.44 175.66 1pn5 h LEU 85 N -0.83 0.00 -0.33 0.17 4.07 -1.43 -1.54 115.31 115.43 1pn5 h LEU 85 Ca -0.28 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.63 1pn5 h LEU 85 Cb 1.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1pn5 h LEU 85 CO -0.11 0.00 0.02 0.17 -1.08 0.00 0.00 178.44 177.44 1pn5 h LEU 86 N 0.00 0.55 -1.40 1.67 8.10 -1.04 -0.88 115.31 122.31 1pn5 h LEU 86 Ca 0.04 -0.29 -0.06 0.00 0.11 0.00 0.00 57.88 57.67 1pn5 h LEU 86 Cb 0.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.44 1pn5 h LEU 86 CO -0.00 0.71 -0.29 0.00 -4.11 0.00 0.00 178.44 174.75 1pn5 h ALA 87 N 0.86 1.32 -0.44 0.17 0.00 -1.43 0.14 119.26 119.88 1pn5 h ALA 87 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1pn5 h ALA 87 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1pn5 h ALA 87 CO 0.01 0.36 0.15 -0.97 0.00 0.00 0.00 179.25 178.81 1pn5 h ASN 88 N 0.00 0.62 0.00 0.00 -0.73 -1.23 -3.23 115.58 111.01 1pn5 h ASN 88 Ca -0.00 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1pn5 h ASN 88 Cb 0.59 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.02 1pn5 h ASN 88 CO 0.04 0.65 0.00 0.29 -0.37 0.00 0.00 177.43 178.03 1pn5 n LYS 89 N -4.58 0.00 0.00 6.67 4.01 -0.41 -4.97 118.16 118.88 1pn5 n LYS 89 Ca 0.00 0.35 0.00 0.00 -0.51 0.00 0.00 58.31 58.16 1pn5 n LYS 89 Cb 0.17 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.37 1pn5 n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pn5 n ALA 90 N -1.55 0.00 -2.86 7.82 0.00 0.43 -4.55 120.51 119.80 1pn5 n ALA 90 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1pn5 n ALA 90 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1pn5 n ALA 90 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1pn5 s HIS 91 N 0.00 2.67 0.09 0.00 -3.43 -1.26 -5.06 115.29 108.30 1pn5 s HIS 91 Ca 0.00 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.68 1pn5 s HIS 91 Cb 0.00 -1.72 0.00 0.00 -1.43 0.00 0.00 32.58 29.43 1pn5 s HIS 91 CO 0.00 -0.13 0.00 0.43 -2.00 0.00 0.00 174.74 173.04 1pn5 n SER 92 N 3.07 -5.59 -4.02 7.38 7.64 -1.26 -4.83 113.62 116.02 1pn5 n SER 92 Ca -0.18 0.41 -0.27 0.00 1.01 0.00 0.00 58.87 59.84 1pn5 n SER 92 Cb 0.52 -1.17 -0.17 0.00 -1.01 0.00 0.00 64.21 62.38 1pn5 n SER 92 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pn5 s ARG 93 N -0.64 1.97 -0.32 1.43 3.00 -1.26 -4.98 118.95 118.15 1pn5 s ARG 93 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 55.73 55.26 1pn5 s ARG 93 Cb 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 34.95 33.34 1pn5 s ARG 93 CO 0.00 -0.10 0.26 -1.12 0.00 0.00 0.00 175.30 174.34 1pn5 s SER 94 N 1.11 2.22 -0.15 0.23 0.01 -1.26 -5.12 113.70 110.74 1pn5 s SER 94 Ca -0.05 -1.33 -0.29 0.00 1.31 0.00 0.00 55.95 55.58 1pn5 s SER 94 Cb -0.14 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1pn5 s SER 94 CO -0.03 -0.36 1.64 -0.44 0.41 0.00 0.00 173.24 174.47 1pn5 s SER 95 N 1.85 6.49 0.04 2.44 0.01 -1.26 -4.65 113.70 118.61 1pn5 s SER 95 Ca 0.13 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.29 1pn5 s SER 95 Cb -0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1pn5 s SER 95 CO -0.21 -1.12 0.00 -1.20 0.41 0.00 0.00 173.24 171.12 1pn5 n SER 96 N 7.92 -0.21 0.00 2.44 7.64 -1.26 -5.04 113.62 125.11 1pn5 n SER 96 Ca 0.18 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1pn5 n SER 96 Cb 0.44 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1pn5 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn5 n GLY 97 N -0.03 1.63 3.57 0.23 0.00 -1.26 -5.13 105.19 104.20 1pn5 n GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pn5 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pn5 n GLU 98 N -0.49 -1.40 -0.67 1.61 -0.58 -1.26 -4.88 120.64 112.98 1pn5 n GLU 98 Ca 0.00 -0.36 0.08 0.00 -0.42 0.00 0.00 57.16 56.46 1pn5 n GLU 98 Cb 0.00 -2.27 -0.04 0.00 -0.57 0.00 0.00 31.44 28.56 1pn5 n GLU 98 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1pn5 n THR 99 N -4.59 -0.35 -1.77 2.62 5.66 -1.26 -4.98 114.28 109.61 1pn5 n THR 99 Ca 0.08 0.40 -0.29 0.00 -3.05 0.00 0.00 64.05 61.18 1pn5 n THR 99 Cb 0.53 -0.63 0.16 0.00 -1.55 0.00 0.00 70.33 68.84 1pn5 n THR 99 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1pn5 s PRO 100 N -3.40 0.85 0.90 1.09 0.04 -1.26 -5.06 135.00 128.16 1pn5 s PRO 100 Ca 0.00 -0.13 -0.10 0.00 0.04 0.00 0.00 61.00 60.81 1pn5 s PRO 100 Cb 0.00 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.83 1pn5 s PRO 100 CO 0.00 -2.32 1.13 0.00 0.04 0.00 0.00 177.00 175.85 1pn5 s ALA 101 N -3.62 1.55 0.59 8.56 0.00 -1.26 -4.97 121.76 122.61 1pn5 s ALA 101 Ca 0.69 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 1pn5 s ALA 101 Cb -0.08 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1pn5 s ALA 101 CO 0.52 -2.61 1.17 1.14 0.00 0.00 0.00 175.76 175.98 1pn5 s GLN 102 N -4.70 3.03 0.42 0.00 0.00 -1.26 -5.00 119.66 112.17 1pn5 s GLN 102 Ca 0.66 1.69 -0.24 0.00 -0.00 0.00 0.00 55.36 57.47 1pn5 s GLN 102 Cb -0.22 -1.95 -0.08 0.00 0.00 0.00 0.00 33.01 30.76 1pn5 s GLN 102 CO 0.58 -1.12 1.13 -1.25 0.00 0.00 0.00 175.29 174.63 1pn5 s PRO 103 N -3.45 3.96 -1.45 9.60 0.04 -1.26 -4.93 135.00 137.52 1pn5 s PRO 103 Ca 0.74 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.39 1pn5 s PRO 103 Cb -0.27 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1pn5 s PRO 103 CO 0.33 -0.36 2.58 0.39 0.04 0.00 0.00 177.00 179.97 1pn5 n GLU 104 N -0.20 3.13 -4.32 4.56 -0.58 -1.26 -4.88 120.64 117.09 1pn5 n GLU 104 Ca 0.06 -2.23 -0.20 0.00 -0.42 0.00 0.00 57.16 54.37 1pn5 n GLU 104 Cb 0.48 -2.93 -0.11 0.00 -0.57 0.00 0.00 31.44 28.31 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1pn5 s LYS 105 N 2.81 1.25 0.00 3.49 -0.14 -1.26 -5.03 119.74 120.86 1pn5 s LYS 105 Ca 0.59 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1pn5 s LYS 105 Cb 0.16 -1.17 0.00 0.00 -1.68 0.00 0.00 37.83 35.14 1pn5 s LYS 105 CO -0.06 0.22 0.04 0.25 -0.76 0.00 0.00 175.35 175.04 1pn5 n THR 106 N 0.07 0.00 -4.66 2.17 -2.24 -1.26 -5.03 114.28 103.33 1pn5 n THR 106 Ca -0.11 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 1pn5 n THR 106 Cb 0.58 1.92 -0.13 0.00 -2.10 0.00 0.00 70.33 70.61 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pn5 s SER 107 N -0.00 4.38 0.36 3.42 0.01 -1.26 -5.00 113.70 115.61 1pn5 s SER 107 Ca 0.00 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1pn5 s SER 107 Cb 0.00 -1.44 0.69 0.00 0.21 0.00 0.00 66.02 65.48 1pn5 s SER 107 CO 0.00 0.24 1.88 1.23 0.41 0.00 0.00 173.24 177.00 1pn5 h GLY 108 N 6.14 0.35 0.54 3.44 0.00 -1.86 -0.72 103.07 110.95 1pn5 h GLY 108 Ca -0.36 -0.22 0.09 0.00 0.00 0.00 0.00 47.33 46.84 1pn5 h GLY 108 CO 0.56 0.21 0.42 0.00 0.00 0.00 0.00 176.54 177.73 1pn5 h MET 109 N 0.30 0.70 0.00 4.80 -0.00 -1.86 -1.55 114.93 117.33 1pn5 h MET 109 Ca 0.06 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.70 59.54 1pn5 h MET 109 Cb 0.42 -0.16 -0.03 0.00 -0.00 0.00 0.00 31.60 31.83 1pn5 h MET 109 CO 0.02 0.46 -1.09 1.49 -0.00 0.00 0.00 176.91 177.80 1pn5 h GLU 110 N 0.72 0.00 -0.89 -0.10 4.81 -1.57 -2.31 114.58 115.25 1pn5 h GLU 110 Ca 0.36 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1pn5 h GLU 110 Cb 0.33 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1pn5 h GLU 110 CO -0.24 0.55 0.58 0.28 -0.73 0.00 0.00 179.01 179.45 1pn5 h VAL 111 N 0.00 1.17 -0.33 0.32 2.07 -1.38 -2.51 116.25 115.59 1pn5 h VAL 111 Ca -0.10 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1pn5 h VAL 111 Cb 1.64 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1pn5 h VAL 111 CO 0.08 0.21 0.18 0.00 0.02 0.00 0.00 177.57 178.05 1pn5 h ALA 112 N 1.35 0.42 -0.64 1.67 0.00 -0.75 0.45 119.26 121.77 1pn5 h ALA 112 Ca 0.35 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1pn5 h ALA 112 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1pn5 h ALA 112 CO -0.11 -0.04 0.42 0.66 0.00 0.00 0.00 179.25 180.19 1pn5 h SER 113 N 0.41 0.64 -0.40 0.00 4.64 -1.36 -1.73 113.55 115.74 1pn5 h SER 113 Ca 0.12 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1pn5 h SER 113 Cb 0.08 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1pn5 h SER 113 CO -0.02 0.43 -0.12 0.22 -0.87 0.00 0.00 176.83 176.47 1pn5 h TYR 114 N 0.74 0.89 -0.27 4.77 3.20 -0.91 -2.81 116.97 122.58 1pn5 h TYR 114 Ca 0.26 -0.20 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 1pn5 h TYR 114 Cb 0.12 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1pn5 h TYR 114 CO -0.00 0.93 -0.27 1.25 -1.64 0.00 0.00 178.16 178.43 1pn5 h LEU 115 N 0.60 0.70 -1.41 2.82 5.85 -0.07 0.23 115.31 124.03 1pn5 h LEU 115 Ca 0.10 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1pn5 h LEU 115 Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1pn5 h LEU 115 CO 0.04 1.03 -0.27 0.58 -0.34 0.00 0.00 178.44 179.48 1pn5 h VAL 116 N 0.38 0.91 -0.09 1.05 2.07 -1.52 -1.24 116.25 117.81 1pn5 h VAL 116 Ca 0.04 -1.05 -0.18 0.00 0.82 0.00 0.00 66.70 66.33 1pn5 h VAL 116 Cb 0.83 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1pn5 h VAL 116 CO 0.07 0.27 -0.69 0.00 0.02 0.00 0.00 177.57 177.23 1pn5 h ALA 117 N 1.73 0.63 0.51 1.67 0.00 -1.09 -1.86 119.26 120.84 1pn5 h ALA 117 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1pn5 h ALA 117 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pn5 h ALA 117 CO 0.04 0.75 -0.24 1.96 0.00 0.00 0.00 179.25 181.75 1pn5 h GLN 118 N 0.29 -0.66 0.00 0.00 1.08 -0.66 -3.42 115.11 111.74 1pn5 h GLN 118 Ca -0.02 0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 1pn5 h GLN 118 Cb 1.26 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.81 1pn5 h GLN 118 CO 0.12 -0.42 -1.72 0.66 -0.95 0.00 0.00 178.83 176.52 1pn5 n TYR 119 N -5.23 0.00 -0.20 2.96 4.01 -0.50 -5.08 117.16 113.13 1pn5 n TYR 119 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 1pn5 n TYR 119 Cb 0.28 -0.47 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pn5 n GLY 120 N 2.11 -2.30 0.29 2.72 0.00 -0.70 -4.54 105.19 102.78 1pn5 n GLY 120 Ca -0.13 -1.43 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 1pn5 n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pn5 h GLU 121 N -0.19 -0.20 0.00 1.61 5.08 -1.90 -0.79 114.58 118.19 1pn5 h GLU 121 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pn5 h GLU 121 Cb 0.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pn5 h GLU 121 CO 0.01 -0.13 0.00 1.04 -1.00 0.00 0.00 179.01 178.93 1pn5 n GLN 122 N -5.40 0.00 0.06 2.33 3.00 -1.26 -0.75 117.38 115.37 1pn5 n GLN 122 Ca 0.01 0.36 0.09 0.00 -0.01 0.00 0.00 57.00 57.46 1pn5 n GLN 122 Cb 0.31 -1.12 0.39 0.00 0.00 0.00 0.00 30.24 29.82 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1pn5 n ARG 123 N -1.17 0.09 0.22 -1.09 3.00 -1.22 -0.16 116.66 116.33 1pn5 n ARG 123 Ca 0.00 0.34 -0.09 0.00 -0.01 0.00 0.00 57.85 58.10 1pn5 n ARG 123 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 32.46 30.74 1pn5 n ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pn5 h ALA 124 N 2.37 -1.01 0.01 7.54 0.00 -0.72 -3.27 119.26 124.16 1pn5 h ALA 124 Ca 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1pn5 h ALA 124 Cb 0.29 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pn5 h ALA 124 CO 0.00 -0.97 -0.60 2.35 0.00 0.00 0.00 179.25 180.03 1pn5 h TRP 125 N -0.64 0.58 0.00 0.00 -0.00 -0.43 -2.67 115.95 112.79 1pn5 h TRP 125 Ca -0.06 -0.32 -0.01 0.00 -0.00 0.00 0.00 58.89 58.50 1pn5 h TRP 125 Cb 0.44 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 29.53 1pn5 h TRP 125 CO 0.10 1.15 -0.04 0.22 -0.00 0.00 0.00 178.44 179.87 1pn5 h ASP 126 N -0.14 0.00 0.17 2.65 3.58 -0.74 0.21 116.42 122.14 1pn5 h ASP 126 Ca -0.08 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.11 1pn5 h ASP 126 Cb 1.32 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.39 1pn5 h ASP 126 CO 0.12 0.04 -1.21 0.25 -2.88 0.00 0.00 179.24 175.55 1pn5 h LEU 127 N 0.00 0.56 -0.37 2.28 6.46 -1.65 -3.24 115.31 119.35 1pn5 h LEU 127 Ca -0.00 -0.92 0.07 0.00 -0.12 0.00 0.00 57.88 56.91 1pn5 h LEU 127 Cb 0.07 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 1pn5 h LEU 127 CO 0.00 1.56 -0.01 0.00 -0.62 0.00 0.00 178.44 179.37 1pn5 h ALA 128 N 0.07 0.32 -0.23 1.25 0.00 -0.85 -0.96 119.26 118.85 1pn5 h ALA 128 Ca -0.23 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pn5 h ALA 128 Cb 1.84 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 1pn5 h ALA 128 CO 0.16 -0.41 -0.39 -0.07 0.00 0.00 0.00 179.25 178.55 1pn5 h LEU 129 N 0.08 -1.24 -0.80 0.00 -0.00 -0.76 -0.86 115.31 111.73 1pn5 h LEU 129 Ca 0.18 0.18 0.11 0.00 -0.00 0.00 0.00 57.88 58.35 1pn5 h LEU 129 Cb 0.25 0.53 -0.08 0.00 -0.00 0.00 0.00 40.66 41.36 1pn5 h LEU 129 CO -0.31 -0.38 0.42 -0.74 -0.00 0.00 0.00 178.44 177.43 1pn5 h HIS 130 N -0.40 0.76 -0.32 1.13 2.76 -1.50 -2.60 115.15 114.98 1pn5 h HIS 130 Ca 0.11 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 1pn5 h HIS 130 Cb 0.59 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1pn5 h HIS 130 CO -0.51 0.26 0.22 1.15 -1.30 0.00 0.00 177.93 177.76 1pn5 h THR 131 N 0.68 0.91 0.00 6.26 2.02 0.24 0.50 112.91 123.53 1pn5 h THR 131 Ca 0.40 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.40 1pn5 h THR 131 Cb 0.45 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1pn5 h THR 131 CO -0.29 0.03 -0.63 -0.50 0.37 0.00 0.00 175.52 174.50 1pn5 h TRP 132 N 0.14 0.00 -0.63 3.16 6.55 -1.31 -3.13 115.95 120.73 1pn5 h TRP 132 Ca 0.15 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.92 1pn5 h TRP 132 Cb 0.40 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.67 1pn5 h TRP 132 CO -0.00 0.63 0.13 1.49 -1.05 0.00 0.00 178.44 179.64 1pn5 h GLU 133 N 0.00 1.03 -0.62 0.49 4.22 -0.92 -1.52 114.58 117.26 1pn5 h GLU 133 Ca -0.01 -0.26 0.07 0.00 0.08 0.00 0.00 59.36 59.24 1pn5 h GLU 133 Cb 1.22 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 1pn5 h GLU 133 CO 0.08 0.94 0.30 1.96 -2.18 0.00 0.00 179.01 180.12 1pn5 h GLN 134 N 0.94 0.53 0.00 1.92 1.08 -1.51 -1.96 115.11 116.12 1pn5 h GLN 134 Ca 0.19 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1pn5 h GLN 134 Cb 0.40 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1pn5 h GLN 134 CO 0.01 0.35 0.00 0.52 -0.95 0.00 0.00 178.83 178.76 1pn5 h MET 135 N 0.55 0.00 0.00 1.46 2.86 -1.40 -3.47 114.93 114.93 1pn5 h MET 135 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1pn5 h MET 135 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1pn5 h MET 135 CO -0.22 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.16 1pn5 n GLY 136 N 0.64 0.75 3.69 8.32 0.00 -0.65 -5.06 105.19 112.88 1pn5 n GLY 136 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pn5 s LEU 137 N 0.00 4.24 -0.07 0.99 2.01 -0.74 -4.94 118.68 120.17 1pn5 s LEU 137 Ca 0.00 1.55 0.13 0.00 0.01 0.00 0.00 54.13 55.82 1pn5 s LEU 137 Cb 0.00 -3.56 -0.19 0.00 0.01 0.00 0.00 46.19 42.45 1pn5 s LEU 137 CO 0.00 -0.48 0.19 0.54 1.01 0.00 0.00 176.35 177.61 1pn5 n ARG 138 N 5.13 1.10 -0.12 1.70 1.74 -1.26 -4.44 116.66 120.50 1pn5 n ARG 138 Ca 0.09 -0.07 0.07 0.00 -0.77 0.00 0.00 57.85 57.18 1pn5 n ARG 138 Cb 0.48 -1.34 0.40 0.00 -1.02 0.00 0.00 32.46 30.99 1pn5 n ARG 138 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pn5 h SER 139 N 0.00 0.55 0.29 0.55 0.87 -2.00 -3.13 113.55 110.68 1pn5 h SER 139 Ca -0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1pn5 h SER 139 Cb 1.19 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1pn5 h SER 139 CO 0.01 0.36 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.46 1pn5 h LEU 140 N 0.63 -0.33 -1.25 2.23 -0.00 -1.98 -1.10 115.31 113.51 1pn5 h LEU 140 Ca 0.27 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 58.23 1pn5 h LEU 140 Cb 0.28 0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.97 1pn5 h LEU 140 CO -0.08 0.05 0.54 0.00 -0.00 0.00 0.00 178.44 178.95 1pn5 n ALA 142 N -2.42 -0.29 0.38 0.00 0.00 -1.18 -1.53 120.51 115.47 1pn5 n ALA 142 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.64 1pn5 n ALA 142 Cb 0.22 0.09 0.32 0.00 0.00 0.00 0.00 19.45 20.08 1pn5 n ALA 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pn5 n GLN 143 N -1.76 0.05 -0.03 0.00 6.02 -0.42 -1.14 117.38 120.11 1pn5 n GLN 143 Ca 0.00 0.35 -0.15 0.00 -0.01 0.00 0.00 57.00 57.19 1pn5 n GLN 143 Cb 0.00 -1.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 1pn5 n GLN 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pn5 h ALA 144 N 2.34 0.12 0.00 -1.58 0.00 -0.65 -3.45 119.26 116.04 1pn5 h ALA 144 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1pn5 h ALA 144 Cb 0.22 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.83 1pn5 h ALA 144 CO 0.00 0.22 -0.47 0.00 0.00 0.00 0.00 179.25 179.00 1pn5 n GLN 145 N -4.39 0.00 0.00 0.00 -0.00 -0.58 -4.89 117.38 107.52 1pn5 n GLN 145 Ca -0.09 -1.20 0.14 0.00 -0.00 0.00 0.00 57.00 55.85 1pn5 n GLN 145 Cb 0.53 0.34 0.63 0.00 -0.00 0.00 0.00 30.24 31.74 1pn5 n GLN 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1pn5 n GLU 146 N 0.12 0.77 0.00 2.61 0.28 -0.29 -4.84 120.64 119.29 1pn5 n GLU 146 Ca -0.18 -0.26 0.00 0.00 -0.16 0.00 0.00 57.16 56.56 1pn5 n GLU 146 Cb 0.80 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 32.18 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pn5 n GLY 147 N 1.25 1.03 3.52 -1.84 0.00 -1.26 -5.08 105.19 102.82 1pn5 n GLY 147 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 s ALA 148 N -2.00 3.09 0.00 4.61 0.00 -1.26 -4.58 121.76 121.62 1pn5 s ALA 148 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1pn5 s ALA 148 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1pn5 s ALA 148 CO 0.00 -2.60 0.00 0.41 0.00 0.00 0.00 175.76 173.57 1pn5 n GLY 149 N 5.19 0.62 2.53 0.00 0.00 -1.26 -4.73 105.19 107.53 1pn5 n GLY 149 Ca 0.01 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.41 1pn5 n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pn5 n HIS 150 N 0.00 -2.66 1.94 1.61 -0.00 -1.26 -5.17 115.22 109.67 1pn5 n HIS 150 Ca 0.00 0.83 0.16 0.00 0.46 0.00 0.00 57.72 59.17 1pn5 n HIS 150 Cb 0.00 -1.49 0.90 0.00 -0.12 0.00 0.00 29.99 29.28 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25