#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 3.36 0.00 3.17 0.00 -1.26 -4.89 121.76 122.13 1pn5 s ALA 60 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1pn5 s ALA 60 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1pn5 s ALA 60 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1pn5 n GLY 61 N 0.67 -1.00 2.51 0.00 0.00 -1.26 -4.85 105.19 101.27 1pn5 n GLY 61 Ca 0.02 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.21 5.03 2.24 -0.02 0.00 -1.26 -4.58 105.19 106.38 1pn5 n GLY 62 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 2.30 -0.23 -2.46 4.61 0.00 -1.26 -4.82 120.51 118.65 1pn5 n ALA 63 Ca 0.61 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 54.02 1pn5 n ALA 63 Cb 0.26 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1pn5 n ALA 63 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1pn5 s TRP 64 N -2.45 1.32 0.00 0.00 1.48 -1.26 -4.90 118.94 113.13 1pn5 s TRP 64 Ca 0.00 -1.42 0.00 0.00 -1.06 0.00 0.00 56.10 53.62 1pn5 s TRP 64 Cb 0.00 -0.46 0.00 0.00 -1.16 0.00 0.00 33.47 31.85 1pn5 s TRP 64 CO 0.00 -0.87 0.00 0.41 -4.06 0.00 0.00 176.95 172.43 1pn5 n GLY 65 N -0.48 -1.67 0.41 3.67 0.00 -1.26 -4.05 105.19 101.81 1pn5 n GLY 65 Ca 0.04 0.62 0.21 0.00 0.00 0.00 0.00 46.02 46.89 1pn5 n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pn5 h ARG 66 N 0.00 0.32 -0.67 1.61 9.65 -1.95 0.84 114.38 124.17 1pn5 h ARG 66 Ca 0.00 -0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.05 1pn5 h ARG 66 Cb 0.00 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1pn5 h ARG 66 CO 0.00 0.21 0.54 1.37 2.80 0.00 0.00 179.97 184.89 1pn5 h LEU 67 N 0.33 0.00 -0.54 3.80 8.10 -1.93 -0.43 115.31 124.64 1pn5 h LEU 67 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.45 1pn5 h LEU 67 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1pn5 h LEU 67 CO -0.15 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.18 1pn5 h ALA 68 N 1.55 1.00 0.03 0.17 0.00 -1.10 -3.25 119.26 117.66 1pn5 h ALA 68 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.95 1pn5 h ALA 68 Cb 1.39 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.21 1pn5 h ALA 68 CO -0.00 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 178.16 1pn5 h TYR 70 N 0.35 0.64 -0.02 0.00 -1.99 -1.68 -0.55 116.97 113.72 1pn5 h TYR 70 Ca -0.14 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1pn5 h TYR 70 Cb 1.75 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 40.27 1pn5 h TYR 70 CO 0.11 0.32 0.00 1.28 -0.00 0.00 0.00 178.16 179.87 1pn5 n LEU 71 N -4.48 0.46 0.00 3.88 4.32 -1.08 -2.95 117.00 117.15 1pn5 n LEU 71 Ca 0.11 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1pn5 n LEU 71 Cb 0.29 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1pn5 n LEU 71 CO 0.33 0.11 0.01 1.21 -1.22 0.00 0.00 177.39 177.83 1pn5 n GLU 72 N -0.29 0.22 -0.10 3.23 4.07 -0.29 -3.99 120.64 123.49 1pn5 n GLU 72 Ca 0.01 -0.03 -0.10 0.00 -0.06 0.00 0.00 57.16 56.98 1pn5 n GLU 72 Cb 0.10 -0.34 -0.03 0.00 -0.06 0.00 0.00 31.44 31.12 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1pn5 h PHE 73 N 0.00 0.49 -2.10 4.31 3.57 -1.22 -3.45 116.94 118.54 1pn5 h PHE 73 Ca 0.00 -0.05 -0.45 0.00 3.53 0.00 0.00 57.97 61.00 1pn5 h PHE 73 Cb 0.26 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.87 1pn5 h PHE 73 CO 0.00 0.52 -0.28 -0.48 -2.23 0.00 0.00 178.31 175.84 1pn5 s LEU 74 N -9.69 3.93 0.00 0.59 0.05 -1.26 -5.15 118.68 107.16 1pn5 s LEU 74 Ca -0.13 -0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.02 1pn5 s LEU 74 Cb 0.08 -2.88 -0.00 0.00 -2.05 0.00 0.00 46.19 41.34 1pn5 s LEU 74 CO 0.74 -0.46 0.01 0.29 -0.55 0.00 0.00 176.35 176.38 1pn5 n LYS 75 N -1.73 1.35 0.07 1.48 5.02 -1.26 -4.82 118.16 118.27 1pn5 n LYS 75 Ca -0.01 -0.37 0.05 0.00 -2.02 0.00 0.00 58.31 55.96 1pn5 n LYS 75 Cb 0.58 0.15 0.26 0.00 -0.02 0.00 0.00 35.03 36.00 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 -0.11 0.06 0.00 1.97 4.76 -1.26 -0.59 118.16 122.99 1pn5 n LYS 76 Ca -0.01 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1pn5 n LYS 76 Cb 0.06 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 1pn5 n LYS 76 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1pn5 n GLU 77 N -1.82 0.00 -0.00 1.97 1.02 -1.26 -3.54 120.64 117.01 1pn5 n GLU 77 Ca -0.01 0.78 0.04 0.00 -0.02 0.00 0.00 57.16 57.95 1pn5 n GLU 77 Cb 0.02 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pn5 n GLU 78 N -2.34 1.09 -0.24 3.49 1.02 -0.60 -4.28 120.64 118.79 1pn5 n GLU 78 Ca 0.00 -0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1pn5 n GLU 78 Cb 0.00 -1.12 0.11 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.51 -0.11 -4.62 5.85 -1.02 0.14 115.31 116.06 1pn5 h LEU 79 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1pn5 h LEU 79 Cb 0.32 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1pn5 h LEU 79 CO 0.00 0.32 -0.03 0.50 -0.34 0.00 0.00 178.44 178.89 1pn5 h LYS 80 N 0.65 0.22 -0.14 1.25 3.11 -1.76 -2.20 116.57 117.71 1pn5 h LYS 80 Ca 0.32 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 58.12 1pn5 h LYS 80 Cb 0.26 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.42 1pn5 h LYS 80 CO -0.22 0.53 -0.32 0.93 -2.81 0.00 0.00 179.45 177.56 1pn5 h GLU 81 N -0.10 -0.38 -0.49 1.90 5.08 -1.62 0.04 114.58 119.01 1pn5 h GLU 81 Ca 0.03 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1pn5 h GLU 81 Cb 0.45 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 1pn5 h GLU 81 CO 0.01 -0.25 -0.50 0.35 -1.00 0.00 0.00 179.01 177.62 1pn5 h PHE 82 N -0.39 -1.50 0.00 4.33 3.04 -0.70 0.24 116.94 121.96 1pn5 h PHE 82 Ca 0.10 0.08 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1pn5 h PHE 82 Cb 0.55 0.72 -0.01 0.00 2.56 0.00 0.00 35.95 39.76 1pn5 h PHE 82 CO -0.41 -0.46 -0.41 0.37 -2.02 0.00 0.00 178.31 175.39 1pn5 h GLN 83 N -0.31 0.00 0.68 1.11 4.15 -1.00 0.26 115.11 119.99 1pn5 h GLN 83 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1pn5 h GLN 83 Cb 0.58 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.27 1pn5 h GLN 83 CO -0.64 0.41 -0.33 1.25 -1.93 0.00 0.00 178.83 177.59 1pn5 h LEU 84 N 0.00 -0.77 -0.73 -2.39 6.46 0.06 -2.91 115.31 115.04 1pn5 h LEU 84 Ca -0.00 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1pn5 h LEU 84 Cb 0.93 0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1pn5 h LEU 84 CO 0.05 -0.40 0.44 -0.07 -0.62 0.00 0.00 178.44 177.84 1pn5 h LEU 85 N -1.20 0.69 -0.67 2.25 3.38 -0.38 0.69 115.31 120.07 1pn5 h LEU 85 Ca -0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1pn5 h LEU 85 Cb 0.72 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1pn5 h LEU 85 CO 0.15 0.46 0.41 0.17 0.09 0.00 0.00 178.44 179.73 1pn5 h LEU 86 N 0.83 0.67 -0.38 1.67 8.10 -1.04 -0.15 115.31 125.00 1pn5 h LEU 86 Ca 0.31 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 58.12 1pn5 h LEU 86 Cb 0.11 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1pn5 h LEU 86 CO -0.15 0.46 -0.68 0.00 -4.11 0.00 0.00 178.44 173.96 1pn5 h ALA 87 N 1.30 0.56 -0.14 0.17 0.00 -1.14 -1.27 119.26 118.74 1pn5 h ALA 87 Ca 0.27 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1pn5 h ALA 87 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1pn5 h ALA 87 CO -0.12 0.72 -0.18 -0.97 0.00 0.00 0.00 179.25 178.71 1pn5 h ASN 88 N 0.38 -0.55 -0.38 0.00 -0.73 -0.20 -0.95 115.58 113.16 1pn5 h ASN 88 Ca -0.02 0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.29 1pn5 h ASN 88 Cb 1.26 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 40.07 1pn5 h ASN 88 CO 0.13 -0.22 0.12 0.50 -0.37 0.00 0.00 177.43 177.58 1pn5 h LYS 89 N -0.21 0.25 0.00 6.67 1.63 -0.99 -2.75 116.57 121.17 1pn5 h LYS 89 Ca 0.10 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1pn5 h LYS 89 Cb 0.36 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1pn5 h LYS 89 CO -0.27 0.17 0.00 0.00 -3.45 0.00 0.00 179.45 175.90 1pn5 h ALA 90 N 1.25 1.00 -3.02 5.00 0.00 -0.55 -3.49 119.26 119.46 1pn5 h ALA 90 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pn5 h ALA 90 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pn5 h ALA 90 CO -0.19 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 176.67 1pn5 n HIS 91 N -2.90 0.00 -3.86 0.00 1.44 -0.42 -5.07 115.22 104.41 1pn5 n HIS 91 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1pn5 n HIS 91 Cb 0.25 -0.56 -0.01 0.00 0.12 0.00 0.00 29.99 29.79 1pn5 n HIS 91 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1pn5 n SER 92 N 1.83 -1.12 -3.60 4.39 2.88 -1.26 -5.11 113.62 111.63 1pn5 n SER 92 Ca 0.00 -2.34 -0.29 0.00 -1.33 0.00 0.00 58.87 54.90 1pn5 n SER 92 Cb 0.00 2.03 -0.14 0.00 -0.75 0.00 0.00 64.21 65.35 1pn5 n SER 92 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1pn5 s ARG 93 N -2.49 0.66 -0.35 -1.46 0.52 -1.26 -5.00 118.95 109.58 1pn5 s ARG 93 Ca 0.19 -1.22 0.04 0.00 -0.52 0.00 0.00 55.73 54.22 1pn5 s ARG 93 Cb -0.01 -1.67 0.19 0.00 0.52 0.00 0.00 34.95 33.98 1pn5 s ARG 93 CO 0.14 -1.10 0.69 0.45 0.02 0.00 0.00 175.30 175.50 1pn5 s SER 94 N 1.30 -1.38 0.00 0.23 0.15 -1.26 -5.16 113.70 107.58 1pn5 s SER 94 Ca 0.14 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1pn5 s SER 94 Cb -0.20 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1pn5 s SER 94 CO -0.15 -0.20 0.00 -1.54 1.20 0.00 0.00 173.24 172.55 1pn5 n SER 95 N 4.79 0.00 -4.54 5.45 3.41 -1.26 -4.79 113.62 116.68 1pn5 n SER 95 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1pn5 n SER 95 Cb 0.56 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.48 -0.89 -0.13 4.04 7.64 -1.26 -4.96 113.62 118.54 1pn5 n SER 96 Ca 0.00 0.19 -0.11 0.00 1.01 0.00 0.00 58.87 59.96 1pn5 n SER 96 Cb 0.00 -1.33 -0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1pn5 n SER 96 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pn5 h GLY 97 N -2.09 0.78 -7.28 0.23 0.00 -2.01 -3.41 103.07 89.28 1pn5 h GLY 97 Ca -0.49 -0.65 -0.47 0.00 0.00 0.00 0.00 47.33 45.72 1pn5 h GLY 97 CO 0.42 0.59 1.15 -0.54 0.00 0.00 0.00 176.54 178.16 1pn5 s GLU 98 N -4.78 2.98 0.41 4.80 2.02 -1.26 -4.79 118.70 118.08 1pn5 s GLU 98 Ca -0.13 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1pn5 s GLU 98 Cb 0.10 -4.81 0.00 0.00 0.10 0.00 0.00 34.13 29.51 1pn5 s GLU 98 CO 0.81 -2.67 0.00 2.41 0.02 0.00 0.00 175.26 175.83 1pn5 n THR 99 N 7.16 -0.20 -2.88 3.63 -1.04 -1.26 -4.88 114.28 114.81 1pn5 n THR 99 Ca 0.26 0.48 -0.32 0.00 -2.04 0.00 0.00 64.05 62.44 1pn5 n THR 99 Cb 0.50 -0.86 -0.05 0.00 -1.82 0.00 0.00 70.33 68.09 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 -3.56 3.94 -0.18 -2.82 0.04 -1.26 -4.48 135.00 126.68 1pn5 s PRO 100 Ca 0.00 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1pn5 s PRO 100 Cb 0.00 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1pn5 s PRO 100 CO 0.00 -0.01 0.70 0.00 0.04 0.00 0.00 177.00 177.73 1pn5 s ALA 101 N -2.25 -1.77 0.04 8.56 0.00 -1.26 -4.95 121.76 120.13 1pn5 s ALA 101 Ca 0.55 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1pn5 s ALA 101 Cb -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1pn5 s ALA 101 CO 0.24 -0.35 -0.04 -0.65 0.00 0.00 0.00 175.76 174.96 1pn5 s GLN 102 N -0.29 0.45 0.30 0.00 -1.52 -1.26 -4.59 119.66 112.75 1pn5 s GLN 102 Ca -0.05 -0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 52.24 1pn5 s GLN 102 Cb -0.03 0.06 -0.10 0.00 -0.22 0.00 0.00 33.01 32.72 1pn5 s GLN 102 CO 0.05 -0.05 1.37 -1.25 -0.25 0.00 0.00 175.29 175.16 1pn5 s PRO 103 N -2.27 4.30 -0.86 2.91 0.04 -1.26 -4.08 135.00 133.79 1pn5 s PRO 103 Ca -0.07 2.27 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 1pn5 s PRO 103 Cb -0.04 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 1pn5 s PRO 103 CO -0.03 -0.30 0.71 -1.91 0.04 0.00 0.00 177.00 175.50 1pn5 n GLU 104 N 1.41 -1.43 -3.68 4.56 2.13 -1.26 -5.01 120.64 117.38 1pn5 n GLU 104 Ca 0.03 1.06 -0.28 0.00 0.66 0.00 0.00 57.16 58.62 1pn5 n GLU 104 Cb 0.41 -4.49 -0.12 0.00 0.27 0.00 0.00 31.44 27.52 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1pn5 s LYS 105 N -4.19 1.58 0.00 5.31 0.00 -1.26 -4.72 119.74 116.46 1pn5 s LYS 105 Ca 0.12 -2.50 0.00 0.00 0.00 0.00 0.00 55.97 53.59 1pn5 s LYS 105 Cb -0.04 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 35.36 1pn5 s LYS 105 CO 0.81 -1.27 0.18 0.25 0.00 0.00 0.00 175.35 175.31 1pn5 n THR 106 N 2.78 0.00 -4.29 3.79 -2.24 -1.26 -4.97 114.28 108.09 1pn5 n THR 106 Ca 0.19 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 1pn5 n THR 106 Cb 0.39 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.91 0.14 3.42 0.01 -1.26 -5.02 113.70 112.90 1pn5 s SER 107 Ca 0.00 -1.09 -0.15 0.00 1.31 0.00 0.00 55.95 56.02 1pn5 s SER 107 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1pn5 s SER 107 CO 0.00 -0.37 1.69 1.23 0.41 0.00 0.00 173.24 176.20 1pn5 h GLY 108 N 2.64 0.68 2.00 3.44 0.00 -1.80 -2.94 103.07 107.09 1pn5 h GLY 108 Ca -0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1pn5 h GLY 108 CO 0.64 0.35 -0.04 0.00 0.00 0.00 0.00 176.54 177.48 1pn5 h MET 109 N 0.54 0.00 0.02 4.80 -0.00 -1.90 -0.77 114.93 117.62 1pn5 h MET 109 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.84 1pn5 h MET 109 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1pn5 h MET 109 CO -0.01 0.04 -0.01 0.93 -0.00 0.00 0.00 176.91 177.86 1pn5 h GLU 110 N 0.00 -0.03 -0.73 -0.10 5.08 -1.86 -3.07 114.58 113.87 1pn5 h GLU 110 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1pn5 h GLU 110 Cb 0.15 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1pn5 h GLU 110 CO 0.01 0.70 0.48 0.28 -1.00 0.00 0.00 179.01 179.47 1pn5 h VAL 111 N -0.90 0.94 0.33 3.13 2.07 -1.34 -2.07 116.25 118.41 1pn5 h VAL 111 Ca -0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1pn5 h VAL 111 Cb 0.74 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1pn5 h VAL 111 CO 0.01 0.12 -0.41 0.00 0.02 0.00 0.00 177.57 177.30 1pn5 h ALA 112 N 1.63 -1.04 -0.11 1.67 0.00 -1.18 0.83 119.26 121.06 1pn5 h ALA 112 Ca 0.33 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1pn5 h ALA 112 Cb 0.45 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1pn5 h ALA 112 CO -0.12 -1.08 0.07 1.03 0.00 0.00 0.00 179.25 179.15 1pn5 h SER 113 N -0.76 0.08 0.09 0.00 0.87 -1.38 -2.02 113.55 110.43 1pn5 h SER 113 Ca -0.04 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.34 1pn5 h SER 113 Cb 0.68 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1pn5 h SER 113 CO -0.10 0.06 -0.66 0.22 -0.53 0.00 0.00 176.83 175.82 1pn5 h TYR 114 N 0.09 0.70 -0.25 2.24 5.03 -0.93 -2.20 116.97 121.65 1pn5 h TYR 114 Ca 0.04 -0.28 -0.11 0.00 2.58 0.00 0.00 58.73 60.96 1pn5 h TYR 114 Cb 0.06 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 1pn5 h TYR 114 CO -0.00 1.04 -0.28 -0.07 -1.32 0.00 0.00 178.16 177.53 1pn5 h LEU 115 N 0.38 0.69 -0.62 2.82 3.38 -0.10 0.33 115.31 122.18 1pn5 h LEU 115 Ca -0.02 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1pn5 h LEU 115 Cb 1.23 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1pn5 h LEU 115 CO 0.12 1.03 0.37 0.58 0.09 0.00 0.00 178.44 180.63 1pn5 h VAL 116 N 0.35 1.18 -0.80 1.22 2.07 -1.55 0.39 116.25 119.12 1pn5 h VAL 116 Ca 0.04 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1pn5 h VAL 116 Cb 0.85 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1pn5 h VAL 116 CO 0.07 0.19 0.50 0.00 0.02 0.00 0.00 177.57 178.35 1pn5 h ALA 117 N 1.19 1.07 -0.16 1.67 0.00 -1.02 0.27 119.26 122.29 1pn5 h ALA 117 Ca 0.22 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1pn5 h ALA 117 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1pn5 h ALA 117 CO -0.04 0.26 -0.41 1.96 0.00 0.00 0.00 179.25 181.02 1pn5 h GLN 118 N 0.93 0.55 0.00 0.00 1.08 -0.64 -3.43 115.11 113.61 1pn5 h GLN 118 Ca 0.34 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1pn5 h GLN 118 Cb 0.10 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1pn5 h GLN 118 CO -0.15 1.00 -0.65 0.66 -0.95 0.00 0.00 178.83 178.74 1pn5 n TYR 119 N -4.27 0.00 0.00 2.96 4.02 0.10 -5.04 117.16 114.93 1pn5 n TYR 119 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1pn5 n TYR 119 Cb 0.54 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pn5 n GLY 120 N 2.67 0.55 0.00 2.72 0.00 0.07 -4.61 105.19 106.59 1pn5 n GLY 120 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1pn5 n GLY 120 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pn5 n GLU 121 N 0.00 0.49 0.00 1.61 1.02 -1.26 -3.87 120.64 118.63 1pn5 n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pn5 n GLU 121 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1pn5 n GLU 121 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pn5 n GLN 122 N -1.52 0.00 0.00 3.49 3.00 -1.26 -4.13 117.38 116.96 1pn5 n GLN 122 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1pn5 n GLN 122 Cb 0.05 -0.04 0.17 0.00 0.00 0.00 0.00 30.24 30.43 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 -0.02 0.05 -0.08 -1.09 5.12 -1.26 -0.89 116.66 118.49 1pn5 n ARG 123 Ca 0.00 0.30 -0.14 0.00 -1.93 0.00 0.00 57.85 56.08 1pn5 n ARG 123 Cb 0.00 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.75 1pn5 n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pn5 h ALA 124 N 2.31 0.36 0.00 7.54 0.00 -1.78 -3.19 119.26 124.50 1pn5 h ALA 124 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 1pn5 h ALA 124 Cb 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1pn5 h ALA 124 CO 0.00 0.40 -2.28 1.87 0.00 0.00 0.00 179.25 179.24 1pn5 n TRP 125 N -4.28 0.00 -0.26 0.00 -0.00 -0.81 -4.00 117.44 108.09 1pn5 n TRP 125 Ca -0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.53 1pn5 n TRP 125 Cb 0.49 -0.84 0.33 0.00 -0.00 0.00 0.00 31.31 31.29 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 -0.47 0.74 0.28 5.87 3.58 -1.21 0.33 116.42 125.54 1pn5 h ASP 126 Ca -0.55 0.02 -0.25 0.00 0.42 0.00 0.00 57.03 56.68 1pn5 h ASP 126 Cb 1.62 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.55 1pn5 h ASP 126 CO -0.23 0.43 -1.04 0.25 -2.88 0.00 0.00 179.24 175.77 1pn5 h LEU 127 N 0.82 0.63 0.05 2.28 6.46 -1.73 -2.57 115.31 121.25 1pn5 h LEU 127 Ca 0.40 -0.54 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1pn5 h LEU 127 Cb 0.44 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 1pn5 h LEU 127 CO -0.16 1.35 -0.44 0.00 -0.62 0.00 0.00 178.44 178.57 1pn5 h ALA 128 N 0.60 -0.89 0.00 1.25 0.00 -1.19 -3.26 119.26 115.78 1pn5 h ALA 128 Ca -0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1pn5 h ALA 128 Cb 1.69 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 20.31 1pn5 h ALA 128 CO 0.19 -1.01 -0.46 1.37 0.00 0.00 0.00 179.25 179.33 1pn5 h LEU 129 N -0.58 0.00 -1.15 0.00 8.10 -0.47 0.18 115.31 121.38 1pn5 h LEU 129 Ca 0.00 0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.20 1pn5 h LEU 129 Cb 0.60 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.73 1pn5 h LEU 129 CO -0.26 0.46 0.62 -0.74 -4.11 0.00 0.00 178.44 174.40 1pn5 h HIS 130 N 0.00 0.91 0.00 0.17 2.76 -1.51 -2.18 115.15 115.30 1pn5 h HIS 130 Ca -0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1pn5 h HIS 130 Cb 1.28 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 1pn5 h HIS 130 CO 0.00 0.19 -0.01 1.15 -1.30 0.00 0.00 177.93 177.96 1pn5 h THR 131 N 0.64 0.09 -0.19 6.26 2.02 -0.99 0.15 112.91 120.89 1pn5 h THR 131 Ca 0.56 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.58 1pn5 h THR 131 Cb 1.05 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1pn5 h THR 131 CO -0.34 0.01 -0.25 -0.50 0.37 0.00 0.00 175.52 174.81 1pn5 h TRP 132 N 0.00 0.39 -0.47 3.16 -0.00 -1.54 0.37 115.95 117.86 1pn5 h TRP 132 Ca -0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 1pn5 h TRP 132 Cb 0.07 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.11 1pn5 h TRP 132 CO 0.00 0.58 0.21 1.05 -0.00 0.00 0.00 178.44 180.28 1pn5 h GLU 133 N 0.31 0.68 -0.10 0.49 4.11 -1.11 -2.46 114.58 116.51 1pn5 h GLU 133 Ca 0.05 -0.11 -0.17 0.00 0.07 0.00 0.00 59.36 59.20 1pn5 h GLU 133 Cb 0.61 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1pn5 h GLU 133 CO 0.04 0.59 -0.61 1.96 0.07 0.00 0.00 179.01 181.06 1pn5 h GLN 134 N 0.61 0.59 0.85 1.06 4.20 -1.37 -3.34 115.11 117.72 1pn5 h GLN 134 Ca 0.16 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.33 1pn5 h GLN 134 Cb 0.14 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.04 1pn5 h GLN 134 CO -0.02 1.12 -0.41 0.52 -0.67 0.00 0.00 178.83 179.38 1pn5 h MET 135 N 0.22 -1.10 0.00 1.46 2.86 -1.02 -3.48 114.93 113.87 1pn5 h MET 135 Ca -0.05 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1pn5 h MET 135 Cb 1.26 0.25 0.00 0.00 0.06 0.00 0.00 31.60 33.17 1pn5 h MET 135 CO 0.13 -0.74 0.00 0.41 1.06 0.00 0.00 176.91 177.77 1pn5 n GLY 136 N -1.50 -0.54 2.69 8.32 0.00 -1.15 -5.09 105.19 107.91 1pn5 n GLY 136 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pn5 n LEU 137 N 0.00 3.74 0.05 0.99 -0.00 -0.94 -4.91 117.00 115.93 1pn5 n LEU 137 Ca 0.00 -5.32 0.03 0.00 -0.00 0.00 0.00 56.01 50.73 1pn5 n LEU 137 Cb 0.00 -0.26 0.17 0.00 -0.00 0.00 0.00 43.42 43.33 1pn5 n LEU 137 CO 0.00 2.26 0.60 -2.11 -0.00 0.00 0.00 177.39 178.14 1pn5 n ARG 138 N -0.21 0.04 -0.26 1.47 0.00 -1.21 -1.16 116.66 115.34 1pn5 n ARG 138 Ca 0.30 0.53 0.07 0.00 -0.00 0.00 0.00 57.85 58.75 1pn5 n ARG 138 Cb 0.53 -1.65 0.19 0.00 -0.00 0.00 0.00 32.46 31.53 1pn5 n ARG 138 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1pn5 h SER 139 N 0.00 -0.17 -0.51 2.89 0.87 -1.91 0.92 113.55 115.64 1pn5 h SER 139 Ca 0.00 0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1pn5 h SER 139 Cb 0.03 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1pn5 h SER 139 CO 0.00 -0.13 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.04 1pn5 h LEU 140 N 0.17 0.93 -0.14 2.23 3.38 -1.53 -2.01 115.31 118.34 1pn5 h LEU 140 Ca 0.44 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pn5 h LEU 140 Cb 0.79 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1pn5 h LEU 140 CO -0.61 1.05 0.01 0.00 0.09 0.00 0.00 178.44 178.98 1pn5 h ALA 142 N 1.11 -0.72 0.00 0.00 0.00 -0.74 -1.47 119.26 117.44 1pn5 h ALA 142 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pn5 h ALA 142 Cb 0.07 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pn5 h ALA 142 CO -0.10 -0.86 0.00 1.04 0.00 0.00 0.00 179.25 179.32 1pn5 n GLN 143 N -5.37 0.07 0.00 0.00 6.02 -0.77 -0.72 117.38 116.61 1pn5 n GLN 143 Ca -0.12 0.48 0.13 0.00 -0.01 0.00 0.00 57.00 57.48 1pn5 n GLN 143 Cb 0.31 -1.70 0.37 0.00 1.02 0.00 0.00 30.24 30.25 1pn5 n GLN 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pn5 n ALA 144 N -1.63 2.81 -1.02 -1.58 0.00 -0.20 -4.34 120.51 114.55 1pn5 n ALA 144 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1pn5 n ALA 144 Cb 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.05 0.40 -2.37 0.00 6.02 0.10 -4.85 117.38 116.72 1pn5 n GLN 145 Ca 0.15 -0.75 -0.35 0.00 -0.01 0.00 0.00 57.00 56.05 1pn5 n GLN 145 Cb 0.40 -0.59 0.01 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.10 3.56 -0.72 -1.09 1.02 -0.05 -4.93 120.64 118.33 1pn5 n GLU 146 Ca 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 57.16 52.91 1pn5 n GLU 146 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 -0.38 0.08 0.00 0.62 0.00 -1.26 -4.91 105.19 99.34 1pn5 n GLY 147 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 1.00 0.00 0.00 4.61 0.00 -1.26 -4.98 120.51 119.88 1pn5 n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 148 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 5.00 2.51 4.47 0.00 0.00 -1.26 -5.04 105.19 110.87 1pn5 n GLY 149 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.20 -1.99 1.61 -0.00 -1.26 -4.57 115.22 107.82 1pn5 n HIS 150 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 1pn5 n HIS 150 Cb 0.00 -2.20 0.00 0.00 -0.00 0.00 0.00 29.99 27.79 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77