#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 0.46 -0.04 3.17 0.00 -1.26 -4.95 121.76 119.15 1pn5 s ALA 60 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1pn5 s ALA 60 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1pn5 s ALA 60 CO 0.00 0.11 0.03 0.41 0.00 0.00 0.00 175.76 176.31 1pn5 n GLY 61 N 2.89 -0.35 0.31 0.00 0.00 -1.26 -4.72 105.19 102.05 1pn5 n GLY 61 Ca -0.13 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1pn5 n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pn5 h GLY 62 N 0.02 1.45 -2.27 -0.02 0.00 -2.00 -3.38 103.07 96.87 1pn5 h GLY 62 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.06 1pn5 h GLY 62 CO 0.01 -0.24 -0.25 0.00 0.00 0.00 0.00 176.54 176.06 1pn5 n ALA 63 N -2.52 3.01 0.10 3.60 0.00 -1.26 -5.01 120.51 118.43 1pn5 n ALA 63 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1pn5 n ALA 63 Cb 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.19 -2.14 0.00 0.00 4.27 -1.26 -4.78 117.44 113.34 1pn5 n TRP 64 Ca -0.23 0.46 0.00 0.00 -3.89 0.00 0.00 57.50 53.83 1pn5 n TRP 64 Cb 0.67 1.16 0.00 0.00 -1.36 0.00 0.00 31.31 31.78 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 0.56 0.61 0.37 -1.67 0.00 -1.26 -1.10 105.19 102.69 1pn5 n GLY 65 Ca 0.00 0.74 0.19 0.00 0.00 0.00 0.00 46.02 46.95 1pn5 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pn5 h ARG 66 N 0.00 0.00 -0.45 1.61 3.08 -1.96 0.57 114.38 117.23 1pn5 h ARG 66 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1pn5 h ARG 66 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 1pn5 h ARG 66 CO 0.00 0.00 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.65 1pn5 h LEU 67 N 0.00 -0.64 -2.51 3.04 4.07 -1.52 0.07 115.31 117.83 1pn5 h LEU 67 Ca 0.16 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.27 1pn5 h LEU 67 Cb 0.86 0.36 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 1pn5 h LEU 67 CO -0.00 -0.22 -0.02 0.00 -1.08 0.00 0.00 178.44 177.12 1pn5 h ALA 68 N 1.26 1.15 -0.13 1.53 0.00 -1.10 -2.14 119.26 119.83 1pn5 h ALA 68 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1pn5 h ALA 68 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1pn5 h ALA 68 CO -0.51 0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.33 1pn5 h TYR 70 N 0.13 1.00 0.00 0.00 0.05 -1.24 -1.27 116.97 115.65 1pn5 h TYR 70 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1pn5 h TYR 70 Cb 1.06 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1pn5 h TYR 70 CO 0.11 0.61 0.00 1.28 -1.05 0.00 0.00 178.16 179.11 1pn5 n LEU 71 N -4.55 0.00 -0.09 3.88 4.77 -0.84 -2.36 117.00 117.82 1pn5 n LEU 71 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.12 1pn5 n LEU 71 Cb 0.04 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1pn5 n LEU 71 CO 0.35 0.00 0.07 -0.62 -1.33 0.00 0.00 177.39 175.86 1pn5 n GLU 72 N -0.60 3.11 0.16 3.23 1.02 -0.16 -4.20 120.64 123.19 1pn5 n GLU 72 Ca 0.03 -0.23 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 1pn5 n GLU 72 Cb 0.02 -1.01 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1pn5 h PHE 73 N 0.44 -0.44 -4.32 -0.32 3.57 -1.34 -3.47 116.94 111.05 1pn5 h PHE 73 Ca 0.00 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 61.00 1pn5 h PHE 73 Cb 0.28 0.15 0.11 0.00 2.79 0.00 0.00 35.95 39.27 1pn5 h PHE 73 CO 0.00 -0.23 0.35 -0.48 -2.23 0.00 0.00 178.31 175.72 1pn5 s LEU 74 N -9.08 2.61 0.00 0.59 0.05 -1.26 -5.10 118.68 106.49 1pn5 s LEU 74 Ca -0.08 1.25 0.00 0.00 0.05 0.00 0.00 54.13 55.35 1pn5 s LEU 74 Cb 0.01 -3.88 0.00 0.00 -2.05 0.00 0.00 46.19 40.27 1pn5 s LEU 74 CO 0.26 -1.91 0.00 2.29 -0.55 0.00 0.00 176.35 176.44 1pn5 n LYS 75 N -3.38 1.29 0.06 1.48 2.85 -1.26 -4.79 118.16 114.40 1pn5 n LYS 75 Ca 0.07 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 1pn5 n LYS 75 Cb 0.57 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 35.08 1pn5 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1pn5 n LYS 76 N 0.00 0.03 0.14 -1.58 4.01 -1.26 -0.63 118.16 118.88 1pn5 n LYS 76 Ca 0.00 0.41 -0.06 0.00 -0.51 0.00 0.00 58.31 58.15 1pn5 n LYS 76 Cb 0.00 -1.81 -0.03 0.00 -0.51 0.00 0.00 35.03 32.68 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 -0.37 0.00 1.97 5.08 -2.00 -3.37 114.58 115.90 1pn5 h GLU 77 Ca 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1pn5 h GLU 77 Cb 0.40 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1pn5 h GLU 77 CO 0.00 -0.24 -1.87 0.39 -1.00 0.00 0.00 179.01 176.29 1pn5 n GLU 78 N -3.32 0.74 -0.34 2.33 1.02 0.11 -3.37 120.64 117.81 1pn5 n GLU 78 Ca -0.05 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1pn5 n GLU 78 Cb 0.15 -1.41 0.14 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.96 0.36 -4.62 7.12 -1.14 -1.43 115.31 116.56 1pn5 h LEU 79 Ca -0.11 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 1pn5 h LEU 79 Cb 1.10 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1pn5 h LEU 79 CO 0.01 0.64 -0.18 0.50 -0.13 0.00 0.00 178.44 179.28 1pn5 h LYS 80 N 1.11 -0.48 -0.26 1.25 1.63 -1.72 -2.90 116.57 115.21 1pn5 h LYS 80 Ca 0.38 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.21 1pn5 h LYS 80 Cb 0.08 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1pn5 h LYS 80 CO -0.14 -0.32 0.16 1.05 -3.45 0.00 0.00 179.45 176.75 1pn5 h GLU 81 N -0.49 0.34 0.53 1.90 4.11 -1.55 -2.25 114.58 117.18 1pn5 h GLU 81 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1pn5 h GLU 81 Cb 0.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1pn5 h GLU 81 CO 0.08 0.24 -0.49 0.35 0.07 0.00 0.00 179.01 179.26 1pn5 h PHE 82 N 0.35 -1.34 0.00 2.06 3.04 -1.28 0.14 116.94 119.92 1pn5 h PHE 82 Ca 0.09 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1pn5 h PHE 82 Cb -0.02 0.52 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1pn5 h PHE 82 CO 0.00 -0.66 -0.34 0.37 -2.02 0.00 0.00 178.31 175.66 1pn5 h GLN 83 N -1.00 0.00 0.44 1.11 5.75 -1.25 0.73 115.11 120.89 1pn5 h GLN 83 Ca -0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1pn5 h GLN 83 Cb 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 1pn5 h GLN 83 CO -0.04 0.34 -0.21 1.25 -2.65 0.00 0.00 178.83 177.53 1pn5 h LEU 84 N 0.00 -0.50 -0.89 -2.39 6.46 -1.28 -2.28 115.31 114.43 1pn5 h LEU 84 Ca -0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1pn5 h LEU 84 Cb 0.69 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 1pn5 h LEU 84 CO 0.04 -0.35 0.59 -0.07 -0.62 0.00 0.00 178.44 178.03 1pn5 h LEU 85 N -0.60 1.00 0.08 2.25 3.38 -0.45 -0.51 115.31 120.47 1pn5 h LEU 85 Ca -0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pn5 h LEU 85 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1pn5 h LEU 85 CO 0.10 0.71 -0.04 0.25 0.09 0.00 0.00 178.44 179.55 1pn5 h LEU 86 N 1.18 -0.10 -1.62 1.67 6.46 -0.95 0.14 115.31 122.09 1pn5 h LEU 86 Ca 0.34 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1pn5 h LEU 86 Cb -0.08 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1pn5 h LEU 86 CO -0.09 -0.03 -0.20 0.00 -0.62 0.00 0.00 178.44 177.49 1pn5 h ALA 87 N 0.77 1.61 -0.04 1.25 0.00 -0.92 0.17 119.26 122.09 1pn5 h ALA 87 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1pn5 h ALA 87 Cb 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pn5 h ALA 87 CO 0.02 0.25 -0.02 -0.91 0.00 0.00 0.00 179.25 178.59 1pn5 h ASN 88 N 0.00 0.09 0.48 0.00 4.21 -0.52 -3.34 115.58 116.50 1pn5 h ASN 88 Ca -0.00 -0.42 -0.01 0.00 1.21 0.00 0.00 56.30 57.07 1pn5 h ASN 88 Cb 0.37 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1pn5 h ASN 88 CO 0.03 0.50 -0.48 0.50 -1.29 0.00 0.00 177.43 176.69 1pn5 h LYS 89 N -0.31 -0.91 -5.90 0.81 3.11 -0.36 -3.38 116.57 109.64 1pn5 h LYS 89 Ca 0.01 0.06 -0.42 0.00 -2.81 0.00 0.00 60.65 57.49 1pn5 h LYS 89 Cb 0.46 0.21 -0.04 0.00 -1.00 0.00 0.00 32.23 31.85 1pn5 h LYS 89 CO 0.01 -0.61 1.11 0.00 -2.81 0.00 0.00 179.45 177.14 1pn5 s ALA 90 N -5.67 2.02 -0.75 5.00 0.00 0.01 -4.89 121.76 117.47 1pn5 s ALA 90 Ca -0.17 -1.07 -0.32 0.00 0.00 0.00 0.00 51.96 50.40 1pn5 s ALA 90 Cb 0.04 -4.41 -0.17 0.00 0.00 0.00 0.00 23.12 18.58 1pn5 s ALA 90 CO 0.56 -4.22 2.51 -2.39 0.00 0.00 0.00 175.76 172.22 1pn5 n HIS 91 N 12.95 0.94 -3.85 0.00 1.44 -1.26 -4.81 115.22 120.63 1pn5 n HIS 91 Ca 0.28 0.36 -0.10 0.00 -2.01 0.00 0.00 57.72 56.25 1pn5 n HIS 91 Cb 0.50 -2.44 -0.05 0.00 0.12 0.00 0.00 29.99 28.11 1pn5 n HIS 91 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1pn5 s SER 92 N 9.10 -0.10 0.00 4.39 1.04 -1.26 -4.92 113.70 121.95 1pn5 s SER 92 Ca 1.23 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1pn5 s SER 92 Cb -1.02 0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.60 1pn5 s SER 92 CO 0.46 -0.96 0.00 -1.14 0.98 0.00 0.00 173.24 172.58 1pn5 n ARG 93 N -0.27 0.00 -1.54 4.02 0.63 -1.26 -4.86 116.66 113.38 1pn5 n ARG 93 Ca -0.09 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.70 1pn5 n ARG 93 Cb 0.63 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.44 1pn5 n ARG 93 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1pn5 n SER 94 N 0.18 1.25 0.06 6.15 3.41 -1.26 -4.05 113.62 119.36 1pn5 n SER 94 Ca 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1pn5 n SER 94 Cb 0.00 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.42 1pn5 n SER 94 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pn5 n SER 95 N 17.19 -0.89 0.00 4.04 3.41 -1.26 -5.00 113.62 131.11 1pn5 n SER 95 Ca 0.47 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1pn5 n SER 95 Cb 0.41 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pn5 n SER 96 N -2.75 0.35 0.00 4.04 7.64 -1.26 -5.03 113.62 116.62 1pn5 n SER 96 Ca 0.00 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1pn5 n SER 96 Cb 0.00 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.14 1.59 3.56 0.23 0.00 -1.26 -4.94 105.19 104.52 1pn5 n GLY 97 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pn5 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn5 s GLU 98 N -0.07 3.29 0.27 1.61 0.41 -1.26 -4.92 118.70 118.02 1pn5 s GLU 98 Ca 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 1pn5 s GLU 98 Cb 0.00 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 28.22 1pn5 s GLU 98 CO 0.00 -1.99 0.00 2.41 -0.49 0.00 0.00 175.26 175.19 1pn5 n THR 99 N 6.57 -0.17 -1.35 3.63 -1.04 -1.26 -4.95 114.28 115.71 1pn5 n THR 99 Ca 0.07 0.33 -0.29 0.00 -2.04 0.00 0.00 64.05 62.12 1pn5 n THR 99 Cb 0.49 -0.57 0.15 0.00 -1.82 0.00 0.00 70.33 68.58 1pn5 n THR 99 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1pn5 s PRO 100 N -2.99 0.96 -0.50 -2.82 0.04 -1.26 -5.06 135.00 123.36 1pn5 s PRO 100 Ca 0.00 0.47 0.06 0.00 0.04 0.00 0.00 61.00 61.58 1pn5 s PRO 100 Cb 0.00 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.96 1pn5 s PRO 100 CO 0.00 -2.36 0.81 0.00 0.04 0.00 0.00 177.00 175.49 1pn5 n ALA 101 N -3.91 -1.51 -2.40 8.56 0.00 -1.26 -5.14 120.51 114.85 1pn5 n ALA 101 Ca 0.06 -1.29 -0.38 0.00 0.00 0.00 0.00 53.44 51.82 1pn5 n ALA 101 Cb 0.58 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 0.73 4.15 0.75 0.00 -2.07 -1.26 -5.08 119.66 116.88 1pn5 s GLN 102 Ca 0.31 0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 54.37 1pn5 s GLN 102 Cb 0.13 -3.26 0.04 0.00 -1.09 0.00 0.00 33.01 28.83 1pn5 s GLN 102 CO -0.16 0.58 1.08 -1.25 -1.32 0.00 0.00 175.29 174.22 1pn5 s PRO 103 N -0.86 2.52 -0.10 9.60 0.04 -1.26 -5.02 135.00 139.92 1pn5 s PRO 103 Ca 0.28 0.74 0.14 0.00 0.04 0.00 0.00 61.00 62.20 1pn5 s PRO 103 Cb -0.18 -1.96 0.26 0.00 0.04 0.00 0.00 34.50 32.66 1pn5 s PRO 103 CO 0.17 -1.34 1.13 0.39 0.04 0.00 0.00 177.00 177.38 1pn5 n GLU 104 N -3.26 0.95 -4.40 4.56 -0.58 -1.26 -5.03 120.64 111.63 1pn5 n GLU 104 Ca 0.07 -2.31 -0.23 0.00 -0.42 0.00 0.00 57.16 54.28 1pn5 n GLU 104 Cb 0.55 -1.18 -0.13 0.00 -0.57 0.00 0.00 31.44 30.11 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 -2.08 1.12 0.00 3.49 3.01 -1.26 -5.05 119.74 118.97 1pn5 s LYS 105 Ca 0.26 -0.98 0.00 0.00 -1.01 0.00 0.00 55.97 54.24 1pn5 s LYS 105 Cb 0.24 -1.25 0.00 0.00 -1.01 0.00 0.00 37.83 35.81 1pn5 s LYS 105 CO -0.01 0.30 0.63 0.25 0.51 0.00 0.00 175.35 177.04 1pn5 n THR 106 N 1.52 0.00 -4.05 2.17 -2.24 -1.26 -4.86 114.28 105.57 1pn5 n THR 106 Ca -0.19 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1pn5 n THR 106 Cb 0.54 0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.38 0.69 0.16 3.42 0.01 -1.26 -4.94 113.70 111.40 1pn5 s SER 107 Ca 0.00 -0.48 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 1pn5 s SER 107 Cb 0.00 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1pn5 s SER 107 CO 0.00 -0.19 1.81 1.23 0.41 0.00 0.00 173.24 176.49 1pn5 h GLY 108 N 4.71 0.61 2.00 3.44 0.00 -1.92 -0.20 103.07 111.70 1pn5 h GLY 108 Ca -0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1pn5 h GLY 108 CO 0.42 0.17 -0.12 0.00 0.00 0.00 0.00 176.54 177.01 1pn5 h MET 109 N 0.53 0.00 0.08 4.80 -0.00 -1.83 0.10 114.93 118.61 1pn5 h MET 109 Ca 0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 59.70 59.54 1pn5 h MET 109 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1pn5 h MET 109 CO -0.07 0.12 -1.86 0.93 -0.00 0.00 0.00 176.91 176.03 1pn5 h GLU 110 N 0.00 0.17 -0.18 -0.10 4.39 -1.61 -2.90 114.58 114.34 1pn5 h GLU 110 Ca -0.00 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 1pn5 h GLU 110 Cb 0.40 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1pn5 h GLU 110 CO 0.02 0.93 -0.31 -0.39 -1.16 0.00 0.00 179.01 178.11 1pn5 h VAL 111 N 0.05 1.27 0.22 3.13 -1.51 -0.95 -2.39 116.25 116.07 1pn5 h VAL 111 Ca -0.36 -1.32 0.01 0.00 -1.23 0.00 0.00 66.70 63.80 1pn5 h VAL 111 Cb 2.03 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 32.63 1pn5 h VAL 111 CO 0.09 0.41 -0.29 0.00 -1.23 0.00 0.00 177.57 176.55 1pn5 h ALA 112 N 1.37 -0.56 -0.95 5.19 0.00 -1.04 0.24 119.26 123.51 1pn5 h ALA 112 Ca 0.04 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1pn5 h ALA 112 Cb 0.70 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1pn5 h ALA 112 CO 0.05 -0.86 0.60 1.03 0.00 0.00 0.00 179.25 180.08 1pn5 h SER 113 N -0.57 0.69 -0.29 0.00 0.87 -1.48 -1.88 113.55 110.89 1pn5 h SER 113 Ca 0.01 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1pn5 h SER 113 Cb 0.55 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1pn5 h SER 113 CO -0.11 0.30 -0.15 0.22 -0.53 0.00 0.00 176.83 176.57 1pn5 h TYR 114 N 0.70 0.71 -0.00 2.24 3.20 -0.75 -2.76 116.97 120.31 1pn5 h TYR 114 Ca 0.50 -0.18 -0.19 0.00 3.14 0.00 0.00 58.73 62.01 1pn5 h TYR 114 Cb 0.84 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1pn5 h TYR 114 CO -0.00 0.86 -0.83 1.25 -1.64 0.00 0.00 178.16 177.79 1pn5 h LEU 115 N 0.36 0.21 -0.56 2.82 5.85 0.21 -0.39 115.31 123.81 1pn5 h LEU 115 Ca 0.06 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1pn5 h LEU 115 Cb 0.68 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1pn5 h LEU 115 CO 0.04 0.95 0.16 0.58 -0.34 0.00 0.00 178.44 179.83 1pn5 h VAL 116 N 0.10 1.24 -0.42 1.05 2.07 -1.49 -0.97 116.25 117.83 1pn5 h VAL 116 Ca -0.03 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1pn5 h VAL 116 Cb 1.44 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1pn5 h VAL 116 CO 0.12 0.31 0.23 0.00 0.02 0.00 0.00 177.57 178.25 1pn5 h ALA 117 N 1.03 1.62 0.33 1.67 0.00 -1.04 0.46 119.26 123.33 1pn5 h ALA 117 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pn5 h ALA 117 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pn5 h ALA 117 CO -0.00 0.32 -0.16 1.96 0.00 0.00 0.00 179.25 181.37 1pn5 h GLN 118 N 0.58 -0.43 0.00 0.00 1.08 -0.84 -3.44 115.11 112.06 1pn5 h GLN 118 Ca 0.15 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1pn5 h GLN 118 Cb 0.02 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1pn5 h GLN 118 CO -0.03 -0.10 0.00 0.66 -0.95 0.00 0.00 178.83 178.42 1pn5 n TYR 119 N -5.13 0.00 -0.28 2.96 4.01 -0.39 -5.10 117.16 113.24 1pn5 n TYR 119 Ca -0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.68 1pn5 n TYR 119 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.08 -2.25 0.30 2.72 0.00 0.13 -4.12 105.19 102.05 1pn5 n GLY 120 Ca 0.00 -1.41 0.20 0.00 0.00 0.00 0.00 46.02 44.81 1pn5 n GLY 120 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pn5 h GLU 121 N -0.27 0.00 0.00 1.61 4.81 -1.86 -0.44 114.58 118.44 1pn5 h GLU 121 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pn5 h GLU 121 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1pn5 h GLU 121 CO 0.01 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.33 1pn5 n GLN 122 N -2.90 0.00 0.24 1.92 3.00 -1.26 -3.79 117.38 114.59 1pn5 n GLN 122 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.04 1pn5 n GLN 122 Cb 0.09 -0.69 0.59 0.00 0.00 0.00 0.00 30.24 30.23 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.66 0.45 114.38 112.08 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 0.14 0.00 0.00 0.00 0.00 0.00 179.97 180.11 1pn5 n ALA 124 N -2.45 1.20 0.01 0.04 0.00 -0.19 -1.70 120.51 117.41 1pn5 n ALA 124 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pn5 n ALA 124 Cb 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.73 -0.01 -0.31 0.00 -0.00 0.04 -4.61 117.44 110.82 1pn5 n TRP 125 Ca 0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.68 1pn5 n TRP 125 Cb 0.06 0.01 0.36 0.00 -0.00 0.00 0.00 31.31 31.74 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 0.26 0.08 5.87 3.58 -0.25 0.37 116.42 126.32 1pn5 h ASP 126 Ca 0.00 0.19 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 1pn5 h ASP 126 Cb 0.74 0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.99 1pn5 h ASP 126 CO 0.00 -0.12 -0.67 0.25 -2.88 0.00 0.00 179.24 175.83 1pn5 h LEU 127 N 0.29 0.25 -1.29 2.28 5.85 -1.54 -3.32 115.31 117.84 1pn5 h LEU 127 Ca 0.62 -0.91 0.24 0.00 0.84 0.00 0.00 57.88 58.67 1pn5 h LEU 127 Cb 1.31 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1pn5 h LEU 127 CO -0.61 1.30 0.64 0.00 -0.34 0.00 0.00 178.44 179.43 1pn5 h ALA 128 N -0.02 2.08 -0.51 1.25 0.00 -1.34 -2.58 119.26 118.14 1pn5 h ALA 128 Ca -0.14 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1pn5 h ALA 128 Cb 1.41 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1pn5 h ALA 128 CO 0.05 -0.46 0.26 -0.07 0.00 0.00 0.00 179.25 179.03 1pn5 h LEU 129 N 0.49 0.39 -1.56 0.00 -0.00 -0.39 -1.30 115.31 112.93 1pn5 h LEU 129 Ca 0.57 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.48 1pn5 h LEU 129 Cb 1.30 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1pn5 h LEU 129 CO -0.30 0.27 0.30 -0.74 -0.00 0.00 0.00 178.44 177.97 1pn5 h HIS 130 N 0.52 0.57 0.00 1.13 -0.00 -1.61 -1.76 115.15 113.99 1pn5 h HIS 130 Ca 0.22 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1pn5 h HIS 130 Cb 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1pn5 h HIS 130 CO -0.10 0.36 0.00 1.15 -0.00 0.00 0.00 177.93 179.34 1pn5 h THR 131 N 0.61 0.00 -0.02 6.26 2.02 -1.30 0.12 112.91 120.61 1pn5 h THR 131 Ca 0.17 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 1pn5 h THR 131 Cb -0.06 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1pn5 h THR 131 CO -0.04 0.00 -0.69 -0.50 0.37 0.00 0.00 175.52 174.67 1pn5 h TRP 132 N 0.00 0.14 -0.34 3.16 -0.00 -1.27 -1.89 115.95 115.75 1pn5 h TRP 132 Ca 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.89 58.76 1pn5 h TRP 132 Cb 0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 1pn5 h TRP 132 CO 0.00 0.76 -0.05 1.49 -0.00 0.00 0.00 178.44 180.63 1pn5 h GLU 133 N 0.07 0.64 0.23 0.49 4.57 -0.83 -0.98 114.58 118.77 1pn5 h GLU 133 Ca -0.01 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1pn5 h GLU 133 Cb 1.22 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1pn5 h GLU 133 CO 0.10 0.79 -0.39 1.96 -1.18 0.00 0.00 179.01 180.29 1pn5 h GLN 134 N 0.44 -0.64 0.00 1.92 1.08 -1.18 -2.46 115.11 114.26 1pn5 h GLN 134 Ca 0.09 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1pn5 h GLN 134 Cb 0.54 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1pn5 h GLN 134 CO 0.03 -0.42 0.00 -1.33 -0.95 0.00 0.00 178.83 176.15 1pn5 n MET 135 N -4.72 0.10 -1.04 1.46 2.81 -0.72 -4.88 117.12 110.12 1pn5 n MET 135 Ca -0.08 0.16 -0.01 0.00 -1.81 0.00 0.00 57.70 55.96 1pn5 n MET 135 Cb 0.33 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 1pn5 n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pn5 n GLY 136 N 0.31 0.51 2.76 3.03 0.00 -0.75 -4.94 105.19 106.10 1pn5 n GLY 136 Ca 0.06 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pn5 n LEU 137 N -0.16 6.61 0.20 0.99 7.99 -0.45 -4.74 117.00 127.44 1pn5 n LEU 137 Ca -0.01 -4.00 0.05 0.00 -0.01 0.00 0.00 56.01 52.04 1pn5 n LEU 137 Cb 0.09 -1.59 0.43 0.00 -0.11 0.00 0.00 43.42 42.24 1pn5 n LEU 137 CO 0.02 0.97 0.77 -0.09 -1.51 0.00 0.00 177.39 177.55 1pn5 h ARG 138 N 6.18 0.00 -0.38 3.23 2.43 -1.93 -0.96 114.38 122.96 1pn5 h ARG 138 Ca 0.56 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.77 1pn5 h ARG 138 Cb 0.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1pn5 h ARG 138 CO 1.89 0.32 0.16 0.77 -1.51 0.00 0.00 179.97 181.61 1pn5 h SER 139 N 0.00 0.22 -0.19 -3.80 0.02 -1.96 0.28 113.55 108.13 1pn5 h SER 139 Ca -0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1pn5 h SER 139 Cb 0.64 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1pn5 h SER 139 CO 0.04 0.16 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.79 1pn5 h LEU 140 N 0.34 0.36 -0.43 5.07 3.38 -1.76 -0.87 115.31 121.40 1pn5 h LEU 140 Ca 0.17 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1pn5 h LEU 140 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1pn5 h LEU 140 CO -0.14 0.63 0.25 0.00 0.09 0.00 0.00 178.44 179.27 1pn5 h ALA 142 N 1.19 -1.25 -0.01 0.00 0.00 -0.35 -3.19 119.26 115.65 1pn5 h ALA 142 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pn5 h ALA 142 Cb 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pn5 h ALA 142 CO -0.08 -1.18 0.01 1.96 0.00 0.00 0.00 179.25 179.95 1pn5 h GLN 143 N -0.95 0.00 0.00 0.00 4.20 -1.15 0.29 115.11 117.50 1pn5 h GLN 143 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pn5 h GLN 143 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1pn5 h GLN 143 CO 0.15 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1pn5 n ALA 144 N -2.49 1.39 -2.04 3.87 0.00 -0.91 -3.21 120.51 117.12 1pn5 n ALA 144 Ca -0.03 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1pn5 n ALA 144 Cb 0.10 -1.27 0.02 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 -1.97 0.12 -3.19 0.00 6.02 0.88 -3.99 117.38 115.25 1pn5 n GLN 145 Ca 0.01 -1.38 -0.22 0.00 -0.01 0.00 0.00 57.00 55.40 1pn5 n GLN 145 Cb 0.13 -0.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.85 1pn5 n GLN 145 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pn5 n GLU 146 N -0.01 0.88 -0.61 -1.09 1.02 -0.35 -4.90 120.64 115.59 1pn5 n GLU 146 Ca 0.03 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.84 1pn5 n GLU 146 Cb 0.80 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pn5 n GLY 147 N 0.98 0.67 2.51 0.62 0.00 -1.26 -4.85 105.19 103.85 1pn5 n GLY 147 Ca 0.23 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.18 2.45 0.34 4.61 0.00 -1.25 -5.00 120.51 121.47 1pn5 n ALA 148 Ca 0.00 -2.94 -0.13 0.00 0.00 0.00 0.00 53.44 50.37 1pn5 n ALA 148 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1pn5 n ALA 148 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pn5 h GLY 149 N 2.91 -0.90 0.00 0.00 0.00 -1.86 -3.41 103.07 99.80 1pn5 h GLY 149 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1pn5 h GLY 149 CO 0.42 -0.33 0.00 1.42 0.00 0.00 0.00 176.54 178.05 1pn5 n HIS 150 N -4.47 0.00 0.64 5.60 8.25 -1.26 -4.96 115.22 119.02 1pn5 n HIS 150 Ca -0.11 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.40 1pn5 n HIS 150 Cb 0.34 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.76 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43