#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 0.92 0.00 3.17 0.00 -1.26 -4.89 121.76 119.70 1pn5 s ALA 60 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1pn5 s ALA 60 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1pn5 s ALA 60 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1pn5 n GLY 61 N 4.73 0.06 0.00 0.00 0.00 -1.26 -5.05 105.19 103.67 1pn5 n GLY 61 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1pn5 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pn5 n GLY 62 N -0.66 -1.13 1.42 -0.02 0.00 -1.26 -4.95 105.19 98.58 1pn5 n GLY 62 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1pn5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 63 N 0.00 3.22 -3.24 4.61 0.00 -1.26 -5.10 120.51 118.74 1pn5 n ALA 63 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1pn5 n ALA 63 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.06 0.00 0.00 0.00 4.27 -1.26 -4.88 117.44 115.51 1pn5 n TRP 64 Ca -0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.45 1pn5 n TRP 64 Cb 0.85 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.80 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 2.19 0.21 0.54 -1.67 0.00 -1.26 -4.65 105.19 100.55 1pn5 n GLY 65 Ca 0.00 -0.04 0.36 0.00 0.00 0.00 0.00 46.02 46.34 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 0.01 -0.36 1.61 0.11 -1.98 -0.26 114.38 113.51 1pn5 h ARG 66 Ca 0.00 -0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.18 1pn5 h ARG 66 Cb 0.00 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 1pn5 h ARG 66 CO 0.00 0.01 0.29 -0.07 0.10 0.00 0.00 179.97 180.30 1pn5 h LEU 67 N 0.01 0.00 -1.09 0.08 3.38 -1.99 -2.06 115.31 113.64 1pn5 h LEU 67 Ca 0.59 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 1pn5 h LEU 67 Cb 2.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.08 1pn5 h LEU 67 CO -0.02 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.57 1pn5 h ALA 68 N 1.76 1.26 -0.78 1.53 0.00 -1.32 -2.48 119.26 119.23 1pn5 h ALA 68 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pn5 h ALA 68 Cb 0.75 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1pn5 h ALA 68 CO -0.00 0.50 0.48 0.00 0.00 0.00 0.00 179.25 180.23 1pn5 h TYR 70 N 1.07 0.23 0.00 0.00 -1.99 -1.57 -2.78 116.97 111.94 1pn5 h TYR 70 Ca 0.28 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.99 1pn5 h TYR 70 Cb -0.06 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 38.60 1pn5 h TYR 70 CO 0.00 0.35 0.00 1.28 -0.00 0.00 0.00 178.16 179.80 1pn5 n LEU 71 N -4.85 0.51 -0.00 3.88 4.77 -0.75 -2.98 117.00 117.59 1pn5 n LEU 71 Ca -0.05 -0.26 0.01 0.00 -0.03 0.00 0.00 56.01 55.68 1pn5 n LEU 71 Cb 0.15 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1pn5 n LEU 71 CO 0.35 0.13 -0.30 1.21 -1.33 0.00 0.00 177.39 177.44 1pn5 n GLU 72 N -0.21 2.74 0.05 3.23 2.13 -0.45 -3.96 120.64 124.17 1pn5 n GLU 72 Ca 0.00 -0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 1pn5 n GLU 72 Cb 0.13 -0.85 -0.07 0.00 0.27 0.00 0.00 31.44 30.92 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 -0.03 -4.25 4.31 -0.00 -1.47 -3.42 116.94 112.08 1pn5 h PHE 73 Ca 0.00 -0.00 -0.48 0.00 -0.00 0.00 0.00 57.97 57.49 1pn5 h PHE 73 Cb 0.07 0.01 0.08 0.00 -0.00 0.00 0.00 35.95 36.10 1pn5 h PHE 73 CO 0.00 -0.00 0.34 -0.48 -0.00 0.00 0.00 178.31 178.17 1pn5 s LEU 74 N -10.15 2.90 0.00 2.10 0.05 -1.26 -5.13 118.68 107.19 1pn5 s LEU 74 Ca -0.13 0.91 0.00 0.00 0.05 0.00 0.00 54.13 54.96 1pn5 s LEU 74 Cb 0.06 -3.64 0.00 0.00 -2.05 0.00 0.00 46.19 40.55 1pn5 s LEU 74 CO 0.66 -1.40 0.00 0.29 -0.55 0.00 0.00 176.35 175.35 1pn5 n LYS 75 N -2.96 1.24 0.00 1.48 5.02 -1.26 -4.87 118.16 116.81 1pn5 n LYS 75 Ca 0.07 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.38 1pn5 n LYS 75 Cb 0.58 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.70 1pn5 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pn5 n LYS 76 N 0.00 0.10 -0.22 1.97 4.01 -1.26 -0.43 118.16 122.33 1pn5 n LYS 76 Ca 0.00 0.10 0.02 0.00 -0.51 0.00 0.00 58.31 57.92 1pn5 n LYS 76 Cb 0.00 -1.50 0.12 0.00 -0.51 0.00 0.00 35.03 33.14 1pn5 n LYS 76 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1pn5 h GLU 77 N 0.00 0.11 0.00 1.97 3.07 -2.03 -3.41 114.58 114.30 1pn5 h GLU 77 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1pn5 h GLU 77 Cb 0.01 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1pn5 h GLU 77 CO 0.00 0.07 0.00 0.39 -1.40 0.00 0.00 179.01 178.07 1pn5 n GLU 78 N -5.30 2.52 -0.29 2.33 1.02 -0.21 -4.72 120.64 116.00 1pn5 n GLU 78 Ca 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1pn5 n GLU 78 Cb 0.38 -0.21 0.26 0.00 -0.02 0.00 0.00 31.44 31.85 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 0.28 0.42 -4.62 5.85 -1.00 0.10 115.31 116.35 1pn5 h LEU 79 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1pn5 h LEU 79 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1pn5 h LEU 79 CO 0.00 0.03 -0.20 0.50 -0.34 0.00 0.00 178.44 178.43 1pn5 h LYS 80 N 0.41 -0.55 -0.37 1.25 1.63 -1.79 -1.17 116.57 115.99 1pn5 h LYS 80 Ca 0.50 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 60.40 1pn5 h LYS 80 Cb 0.88 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.58 1pn5 h LYS 80 CO -0.49 -0.32 0.01 0.93 -3.45 0.00 0.00 179.45 176.14 1pn5 h GLU 81 N -0.66 0.11 -0.17 1.90 5.08 -1.65 -0.74 114.58 118.45 1pn5 h GLU 81 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1pn5 h GLU 81 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1pn5 h GLU 81 CO 0.10 0.08 0.11 0.35 -1.00 0.00 0.00 179.01 178.64 1pn5 h PHE 82 N 0.12 0.20 -0.76 4.33 3.04 -0.70 0.33 116.94 123.50 1pn5 h PHE 82 Ca 0.18 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1pn5 h PHE 82 Cb 0.24 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1pn5 h PHE 82 CO -0.24 0.12 0.50 0.37 -2.02 0.00 0.00 178.31 177.05 1pn5 h GLN 83 N 0.22 0.99 0.06 1.11 -0.00 -0.89 -1.69 115.11 114.92 1pn5 h GLN 83 Ca 0.07 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 1pn5 h GLN 83 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 27.48 27.24 1pn5 h GLN 83 CO -0.02 0.66 -0.82 1.37 0.00 0.00 0.00 178.83 180.01 1pn5 h LEU 84 N 1.02 0.21 -2.05 -2.39 8.10 -0.11 -1.34 115.31 118.76 1pn5 h LEU 84 Ca 0.28 -0.85 -0.02 0.00 0.11 0.00 0.00 57.88 57.40 1pn5 h LEU 84 Cb -0.11 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.04 1pn5 h LEU 84 CO -0.06 1.36 -0.08 -0.07 -4.11 0.00 0.00 178.44 175.47 1pn5 h LEU 85 N -0.67 0.00 0.03 0.17 3.38 -0.45 -0.08 115.31 117.69 1pn5 h LEU 85 Ca -0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1pn5 h LEU 85 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1pn5 h LEU 85 CO 0.01 0.08 -0.01 0.25 0.09 0.00 0.00 178.44 178.86 1pn5 h LEU 86 N 0.00 -0.03 -1.37 1.67 6.46 -1.28 0.13 115.31 120.89 1pn5 h LEU 86 Ca -0.00 -0.58 0.14 0.00 -0.12 0.00 0.00 57.88 57.31 1pn5 h LEU 86 Cb 0.19 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 1pn5 h LEU 86 CO 0.01 0.59 0.55 0.00 -0.62 0.00 0.00 178.44 178.96 1pn5 h ALA 87 N 0.25 1.89 -0.09 1.25 0.00 -0.55 0.19 119.26 122.20 1pn5 h ALA 87 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pn5 h ALA 87 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pn5 h ALA 87 CO 0.01 -0.11 -0.18 -0.91 0.00 0.00 0.00 179.25 178.05 1pn5 h ASN 88 N 0.63 0.32 -0.50 0.00 2.35 -1.00 -3.30 115.58 114.08 1pn5 h ASN 88 Ca 0.41 -0.56 0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1pn5 h ASN 88 Cb 0.71 -0.09 -0.10 0.00 0.05 0.00 0.00 38.32 38.88 1pn5 h ASN 88 CO -0.17 0.82 -0.24 0.50 -1.65 0.00 0.00 177.43 176.69 1pn5 h LYS 89 N -0.17 -0.12 0.00 0.81 3.11 0.11 -3.47 116.57 116.84 1pn5 h LYS 89 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1pn5 h LYS 89 Cb 0.77 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1pn5 h LYS 89 CO 0.04 -0.08 0.00 0.00 -2.81 0.00 0.00 179.45 176.60 1pn5 n ALA 90 N -3.01 0.00 -1.65 5.00 0.00 0.49 -4.72 120.51 116.62 1pn5 n ALA 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pn5 n ALA 90 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1pn5 n ALA 90 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pn5 n HIS 91 N 0.00 0.00 -4.15 0.00 1.44 -1.26 -5.03 115.22 106.22 1pn5 n HIS 91 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 1pn5 n HIS 91 Cb 0.00 0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.09 1pn5 n HIS 91 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1pn5 s SER 92 N -0.36 1.01 -0.66 4.39 0.15 -1.26 -5.06 113.70 111.91 1pn5 s SER 92 Ca 0.00 -1.53 -0.26 0.00 0.70 0.00 0.00 55.95 54.86 1pn5 s SER 92 Cb 0.00 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 1pn5 s SER 92 CO 0.00 -1.18 2.07 -0.13 1.20 0.00 0.00 173.24 175.20 1pn5 s ARG 93 N -3.32 2.37 0.96 5.44 3.00 -1.26 -4.98 118.95 121.16 1pn5 s ARG 93 Ca 0.34 0.62 -0.12 0.00 0.00 0.00 0.00 55.73 56.56 1pn5 s ARG 93 Cb 0.01 -4.61 0.16 0.00 0.00 0.00 0.00 34.95 30.51 1pn5 s ARG 93 CO 0.21 -3.19 1.09 0.45 0.00 0.00 0.00 175.30 173.87 1pn5 s SER 94 N 9.41 2.98 1.05 0.23 0.15 -1.26 -5.08 113.70 121.19 1pn5 s SER 94 Ca 0.78 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.58 1pn5 s SER 94 Cb -0.13 -1.95 0.19 0.00 -1.71 0.00 0.00 66.02 62.42 1pn5 s SER 94 CO 0.16 -2.92 0.99 -1.54 1.20 0.00 0.00 173.24 171.13 1pn5 n SER 95 N -4.05 -0.44 -4.52 5.45 3.41 -1.26 -5.06 113.62 107.15 1pn5 n SER 95 Ca 0.06 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.06 1pn5 n SER 95 Cb 0.57 -0.79 0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pn5 n SER 96 N -3.88 -0.99 -0.03 4.04 3.41 -1.26 -4.97 113.62 109.94 1pn5 n SER 96 Ca 0.13 0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 59.00 1pn5 n SER 96 Cb 0.45 -1.32 -0.10 0.00 -0.26 0.00 0.00 64.21 62.98 1pn5 n SER 96 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pn5 h GLY 97 N -1.51 0.22 -6.08 5.00 0.00 -2.05 -3.49 103.07 95.15 1pn5 h GLY 97 Ca -0.44 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1pn5 h GLY 97 CO 0.38 0.27 -0.75 -1.84 0.00 0.00 0.00 176.54 174.61 1pn5 n GLU 98 N -4.57 -1.21 -1.28 4.80 0.28 -1.26 -4.76 120.64 112.64 1pn5 n GLU 98 Ca -0.09 1.31 0.17 0.00 -0.16 0.00 0.00 57.16 58.39 1pn5 n GLU 98 Cb 0.43 -1.69 -0.05 0.00 1.43 0.00 0.00 31.44 31.56 1pn5 n GLU 98 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1pn5 n THR 99 N 1.62 0.00 -2.71 3.84 5.66 -1.26 -4.79 114.28 116.64 1pn5 n THR 99 Ca -0.03 0.18 -0.32 0.00 -3.05 0.00 0.00 64.05 60.83 1pn5 n THR 99 Cb 0.31 -0.61 -0.05 0.00 -1.55 0.00 0.00 70.33 68.43 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 -2.57 4.01 -0.48 1.09 0.04 -1.26 -5.04 135.00 130.79 1pn5 s PRO 100 Ca 0.00 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.98 1pn5 s PRO 100 Cb 0.00 -2.24 0.22 0.00 0.04 0.00 0.00 34.50 32.52 1pn5 s PRO 100 CO 0.00 -0.10 0.72 0.00 0.04 0.00 0.00 177.00 177.67 1pn5 n ALA 101 N -1.08 -0.51 -2.45 8.56 0.00 -1.26 -5.14 120.51 118.63 1pn5 n ALA 101 Ca 0.06 -1.77 -0.23 0.00 0.00 0.00 0.00 53.44 51.50 1pn5 n ALA 101 Cb 0.54 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 1pn5 n ALA 101 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1pn5 s GLN 102 N 0.40 1.32 0.62 0.00 -2.07 -1.26 -5.16 119.66 113.51 1pn5 s GLN 102 Ca 0.32 -1.43 -0.02 0.00 -1.82 0.00 0.00 55.36 52.41 1pn5 s GLN 102 Cb 0.13 -1.42 0.05 0.00 -1.09 0.00 0.00 33.01 30.68 1pn5 s GLN 102 CO -0.16 0.29 0.88 -1.25 -1.32 0.00 0.00 175.29 173.73 1pn5 s PRO 103 N -2.78 2.33 -1.23 9.60 0.04 -1.26 -5.01 135.00 136.70 1pn5 s PRO 103 Ca 0.17 -0.61 -0.06 0.00 0.04 0.00 0.00 61.00 60.53 1pn5 s PRO 103 Cb -0.06 -2.36 0.19 0.00 0.04 0.00 0.00 34.50 32.32 1pn5 s PRO 103 CO 0.07 -0.97 1.99 0.39 0.04 0.00 0.00 177.00 178.52 1pn5 n GLU 104 N -2.60 4.36 -3.87 4.56 1.02 -1.26 -4.90 120.64 117.96 1pn5 n GLU 104 Ca 0.09 -3.82 -0.20 0.00 -0.02 0.00 0.00 57.16 53.20 1pn5 n GLU 104 Cb 0.60 -2.69 -0.17 0.00 -0.02 0.00 0.00 31.44 29.16 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pn5 s LYS 105 N -1.33 0.47 0.00 3.49 3.01 -1.26 -5.03 119.74 119.08 1pn5 s LYS 105 Ca 0.43 0.10 0.15 0.00 -1.01 0.00 0.00 55.97 55.64 1pn5 s LYS 105 Cb 0.13 -0.75 0.25 0.00 -1.01 0.00 0.00 37.83 36.45 1pn5 s LYS 105 CO -0.03 -0.22 1.08 -2.37 0.51 0.00 0.00 175.35 174.32 1pn5 n THR 106 N 4.69 0.00 -5.08 2.17 5.66 -1.26 -4.89 114.28 115.57 1pn5 n THR 106 Ca -0.15 -0.58 -0.32 0.00 -3.05 0.00 0.00 64.05 59.95 1pn5 n THR 106 Cb 0.50 0.77 -0.14 0.00 -1.55 0.00 0.00 70.33 69.91 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pn5 s SER 107 N -1.55 3.58 0.24 1.09 0.01 -1.26 -4.99 113.70 110.83 1pn5 s SER 107 Ca 0.20 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.07 1pn5 s SER 107 Cb 0.23 -0.68 0.42 0.00 0.21 0.00 0.00 66.02 66.20 1pn5 s SER 107 CO -0.10 0.32 1.69 1.23 0.41 0.00 0.00 173.24 176.79 1pn5 h GLY 108 N 5.50 0.95 1.08 3.44 0.00 -1.88 0.43 103.07 112.60 1pn5 h GLY 108 Ca -0.43 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1pn5 h GLY 108 CO 0.49 -0.19 0.56 0.00 0.00 0.00 0.00 176.54 177.41 1pn5 h MET 109 N 0.26 1.07 0.00 4.80 -0.00 -1.86 -0.92 114.93 118.26 1pn5 h MET 109 Ca 0.39 -0.06 -0.19 0.00 -0.00 0.00 0.00 59.70 59.84 1pn5 h MET 109 Cb 0.66 -0.24 -0.03 0.00 -0.00 0.00 0.00 31.60 31.98 1pn5 h MET 109 CO -0.50 0.71 -1.29 1.49 -0.00 0.00 0.00 176.91 177.32 1pn5 h GLU 110 N 1.10 0.00 -0.54 -0.10 4.57 -1.69 -2.39 114.58 115.53 1pn5 h GLU 110 Ca 0.33 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1pn5 h GLU 110 Cb -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1pn5 h GLU 110 CO -0.09 0.45 0.30 0.28 -1.18 0.00 0.00 179.01 178.77 1pn5 h VAL 111 N 0.00 1.02 -0.33 0.32 2.07 -0.82 -1.36 116.25 117.15 1pn5 h VAL 111 Ca -0.15 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1pn5 h VAL 111 Cb 1.67 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1pn5 h VAL 111 CO 0.07 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.89 1pn5 h ALA 112 N 1.26 0.38 -0.71 1.67 0.00 -0.96 0.42 119.26 121.31 1pn5 h ALA 112 Ca 0.22 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1pn5 h ALA 112 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1pn5 h ALA 112 CO -0.12 -0.27 0.47 1.03 0.00 0.00 0.00 179.25 180.36 1pn5 h SER 113 N 0.27 0.65 -0.30 0.00 0.87 -1.22 -1.27 113.55 112.55 1pn5 h SER 113 Ca 0.15 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1pn5 h SER 113 Cb 0.10 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1pn5 h SER 113 CO -0.14 0.42 -0.37 0.22 -0.53 0.00 0.00 176.83 176.43 1pn5 h TYR 114 N 0.74 0.95 -0.23 2.24 5.03 -0.37 -2.91 116.97 122.42 1pn5 h TYR 114 Ca 0.31 -0.30 -0.20 0.00 2.58 0.00 0.00 58.73 61.12 1pn5 h TYR 114 Cb 0.26 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1pn5 h TYR 114 CO -0.00 1.09 -0.62 1.25 -1.32 0.00 0.00 178.16 178.55 1pn5 h LEU 115 N 0.54 0.91 -0.55 2.82 5.85 0.16 -0.18 115.31 124.86 1pn5 h LEU 115 Ca 0.04 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1pn5 h LEU 115 Cb 0.96 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1pn5 h LEU 115 CO 0.09 1.32 0.23 0.58 -0.34 0.00 0.00 178.44 180.31 1pn5 h VAL 116 N 0.59 1.22 -0.99 1.05 2.07 -1.44 -0.30 116.25 118.45 1pn5 h VAL 116 Ca -0.01 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1pn5 h VAL 116 Cb 1.23 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1pn5 h VAL 116 CO 0.13 0.26 0.65 0.00 0.02 0.00 0.00 177.57 178.63 1pn5 h ALA 117 N 1.07 1.35 0.64 1.67 0.00 -1.20 0.15 119.26 122.94 1pn5 h ALA 117 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pn5 h ALA 117 Cb 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pn5 h ALA 117 CO -0.02 0.55 -0.31 1.96 0.00 0.00 0.00 179.25 181.43 1pn5 h GLN 118 N 1.26 -0.83 0.00 0.00 1.08 -0.86 -3.42 115.11 112.34 1pn5 h GLN 118 Ca 0.40 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 1pn5 h GLN 118 Cb 0.01 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1pn5 h GLN 118 CO -0.12 -0.55 -0.73 0.66 -0.95 0.00 0.00 178.83 177.13 1pn5 n TYR 119 N -5.28 0.00 -0.46 2.96 4.01 -0.14 -5.10 117.16 113.15 1pn5 n TYR 119 Ca -0.11 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.67 1pn5 n TYR 119 Cb 0.34 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.49 -2.96 0.17 2.72 0.00 0.51 -4.09 105.19 103.03 1pn5 n GLY 120 Ca 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1pn5 n GLY 120 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pn5 h GLU 121 N -0.30 0.00 0.00 1.61 -0.00 -1.90 0.74 114.58 114.74 1pn5 h GLU 121 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1pn5 h GLU 121 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1pn5 h GLU 121 CO 0.02 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.07 1pn5 n GLN 122 N -2.28 0.00 0.28 1.06 1.13 -1.26 -3.88 117.38 112.42 1pn5 n GLN 122 Ca -0.01 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.20 1pn5 n GLN 122 Cb 0.05 -0.69 0.78 0.00 0.11 0.00 0.00 30.24 30.49 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.60 0.94 114.38 112.63 1pn5 h ARG 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pn5 h ARG 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1pn5 h ARG 123 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.97 180.05 1pn5 n ALA 124 N -2.20 1.51 0.00 0.04 0.00 0.22 -1.49 120.51 118.58 1pn5 n ALA 124 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pn5 n ALA 124 Cb 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1pn5 n ALA 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1pn5 n TRP 125 N -1.29 0.00 -0.25 0.00 -0.00 -0.45 -4.72 117.44 110.74 1pn5 n TRP 125 Ca 0.03 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.73 1pn5 n TRP 125 Cb 0.06 0.01 0.52 0.00 -0.00 0.00 0.00 31.31 31.90 1pn5 n TRP 125 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1pn5 h ASP 126 N 0.00 0.39 0.14 5.87 3.58 -0.72 0.21 116.42 125.89 1pn5 h ASP 126 Ca 0.00 0.04 -0.36 0.00 0.42 0.00 0.00 57.03 57.13 1pn5 h ASP 126 Cb 0.97 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 1pn5 h ASP 126 CO 0.00 0.15 -2.03 -0.11 -2.88 0.00 0.00 179.24 174.37 1pn5 n LEU 127 N -4.51 2.55 -0.34 2.28 7.94 -0.56 -3.77 117.00 120.59 1pn5 n LEU 127 Ca 0.20 0.19 0.09 0.00 -1.11 0.00 0.00 56.01 55.38 1pn5 n LEU 127 Cb 0.73 -1.01 0.26 0.00 0.53 0.00 0.00 43.42 43.94 1pn5 n LEU 127 CO 0.31 0.83 1.18 0.00 -1.11 0.00 0.00 177.39 178.60 1pn5 h ALA 128 N 0.13 1.50 -0.31 1.96 0.00 -1.16 -1.58 119.26 119.81 1pn5 h ALA 128 Ca -0.43 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1pn5 h ALA 128 Cb 2.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1pn5 h ALA 128 CO 0.07 0.03 0.17 -0.07 0.00 0.00 0.00 179.25 179.45 1pn5 h LEU 129 N 0.80 0.27 -0.78 0.00 4.07 -0.78 -1.88 115.31 117.01 1pn5 h LEU 129 Ca 0.52 0.01 0.14 0.00 0.08 0.00 0.00 57.88 58.63 1pn5 h LEU 129 Cb 0.69 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 42.28 1pn5 h LEU 129 CO -0.34 0.20 0.34 -0.74 -1.08 0.00 0.00 178.44 176.83 1pn5 h HIS 130 N 0.35 0.59 0.00 1.13 -0.00 -1.40 -1.83 115.15 114.00 1pn5 h HIS 130 Ca 0.12 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1pn5 h HIS 130 Cb 0.01 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1pn5 h HIS 130 CO -0.08 0.10 -0.03 1.15 -0.00 0.00 0.00 177.93 179.07 1pn5 h THR 131 N 0.50 0.24 -0.54 6.26 2.02 -0.76 -1.90 112.91 118.72 1pn5 h THR 131 Ca 0.43 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1pn5 h THR 131 Cb 0.64 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1pn5 h THR 131 CO -0.39 0.03 0.31 -0.25 0.37 0.00 0.00 175.52 175.59 1pn5 h TRP 132 N 0.00 0.58 -0.38 3.16 7.01 -1.16 -3.01 115.95 122.14 1pn5 h TRP 132 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1pn5 h TRP 132 Cb 0.15 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1pn5 h TRP 132 CO 0.00 0.31 0.25 1.49 -2.79 0.00 0.00 178.44 177.71 1pn5 h GLU 133 N 0.61 0.50 -0.26 2.65 4.22 -1.48 0.60 114.58 121.43 1pn5 h GLU 133 Ca 0.22 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.66 1pn5 h GLU 133 Cb 0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1pn5 h GLU 133 CO -0.12 0.33 0.09 1.96 -2.18 0.00 0.00 179.01 179.10 1pn5 h GLN 134 N 0.52 0.21 0.02 1.92 1.08 -1.66 -3.13 115.11 114.07 1pn5 h GLN 134 Ca 0.14 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 57.08 1pn5 h GLN 134 Cb -0.06 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1pn5 h GLN 134 CO -0.03 0.14 -1.27 0.52 -0.95 0.00 0.00 178.83 177.24 1pn5 h MET 135 N 0.21 0.05 0.00 1.46 2.86 -1.07 -3.49 114.93 114.96 1pn5 h MET 135 Ca 0.11 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1pn5 h MET 135 Cb 0.07 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1pn5 h MET 135 CO -0.11 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.17 1pn5 n GLY 136 N 1.46 0.70 3.58 8.32 0.00 0.00 -5.01 105.19 114.23 1pn5 n GLY 136 Ca -0.07 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 3.78 0.23 0.99 2.01 -1.25 -4.85 118.68 119.59 1pn5 s LEU 137 Ca 0.00 -2.30 -0.11 0.00 0.01 0.00 0.00 54.13 51.73 1pn5 s LEU 137 Cb 0.00 -2.58 0.32 0.00 0.01 0.00 0.00 46.19 43.95 1pn5 s LEU 137 CO 0.00 -1.24 1.61 -0.09 1.01 0.00 0.00 176.35 177.64 1pn5 h ARG 138 N 7.92 0.02 -0.02 1.70 2.43 -1.95 -0.76 114.38 123.71 1pn5 h ARG 138 Ca 0.41 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 1pn5 h ARG 138 Cb 0.89 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1pn5 h ARG 138 CO 1.45 0.01 0.03 0.77 -1.51 0.00 0.00 179.97 180.72 1pn5 h SER 139 N 0.02 0.00 -0.06 -3.80 0.02 -1.97 -0.44 113.55 107.32 1pn5 h SER 139 Ca 0.36 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1pn5 h SER 139 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1pn5 h SER 139 CO -0.73 0.00 -0.18 -0.07 -1.14 0.00 0.00 176.83 174.71 1pn5 h LEU 140 N 0.00 0.27 -0.37 5.07 -0.00 -1.55 0.14 115.31 118.87 1pn5 h LEU 140 Ca 0.01 -0.61 -0.13 0.00 -0.00 0.00 0.00 57.88 57.15 1pn5 h LEU 140 Cb 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1pn5 h LEU 140 CO -0.00 0.83 -0.29 0.00 -0.00 0.00 0.00 178.44 178.98 1pn5 h ALA 142 N 0.77 -1.23 0.00 0.00 0.00 -1.06 -2.77 119.26 114.97 1pn5 h ALA 142 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pn5 h ALA 142 Cb 0.87 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pn5 h ALA 142 CO 0.08 -1.15 -0.01 1.96 0.00 0.00 0.00 179.25 180.13 1pn5 h GLN 143 N -1.10 0.00 0.00 0.00 1.08 -0.81 0.16 115.11 114.44 1pn5 h GLN 143 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1pn5 h GLN 143 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1pn5 h GLN 143 CO 0.18 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 178.06 1pn5 n ALA 144 N -2.24 1.69 -2.02 3.87 0.00 -0.66 -3.28 120.51 117.86 1pn5 n ALA 144 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1pn5 n ALA 144 Cb 0.09 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 1pn5 n ALA 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pn5 n GLN 145 N -1.51 0.00 -3.35 0.00 6.02 0.43 -4.82 117.38 114.15 1pn5 n GLN 145 Ca 0.04 -0.80 -0.24 0.00 -0.01 0.00 0.00 57.00 55.99 1pn5 n GLN 145 Cb 0.18 -0.34 -0.09 0.00 1.02 0.00 0.00 30.24 31.01 1pn5 n GLN 145 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pn5 s GLU 146 N 0.00 0.76 0.00 -1.09 2.02 -0.47 -4.94 118.70 114.99 1pn5 s GLU 146 Ca 0.02 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1pn5 s GLU 146 Cb 0.02 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.12 1pn5 s GLU 146 CO -0.01 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.39 1pn5 n GLY 147 N 3.47 1.21 2.72 -1.39 0.00 -1.26 -4.57 105.19 105.36 1pn5 n GLY 147 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 148 N 0.00 -0.82 0.00 4.61 0.00 -1.21 -4.66 120.51 118.43 1pn5 n ALA 148 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1pn5 n ALA 148 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1pn5 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 149 N -1.16 -1.38 3.15 0.00 0.00 -1.26 -4.95 105.19 99.59 1pn5 n GLY 149 Ca -0.16 -2.09 0.04 0.00 0.00 0.00 0.00 46.02 43.82 1pn5 n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn5 s HIS 150 N 0.00 -1.66 0.00 1.61 3.76 -1.26 -5.16 115.29 112.58 1pn5 s HIS 150 Ca 0.00 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 1pn5 s HIS 150 Cb 0.00 0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1pn5 s HIS 150 CO 0.00 -0.97 0.00 0.45 -0.85 0.00 0.00 174.74 173.37