#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 1.41 0.00 3.17 0.00 -1.26 -4.17 121.76 120.91 1pn5 s ALA 60 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1pn5 s ALA 60 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1pn5 s ALA 60 CO 0.00 -4.82 0.00 0.41 0.00 0.00 0.00 175.76 171.35 1pn5 n GLY 61 N 6.20 0.00 0.35 0.00 0.00 -1.26 -4.82 105.19 105.66 1pn5 n GLY 61 Ca 0.39 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 0.00 -2.08 -0.02 0.00 -1.97 0.35 103.07 99.35 1pn5 h GLY 62 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1pn5 h GLY 62 CO 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 1pn5 n ALA 63 N -1.94 3.41 0.00 3.60 0.00 -1.26 -4.97 120.51 119.35 1pn5 n ALA 63 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1pn5 n ALA 63 Cb 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 0.08 0.00 0.00 0.00 4.27 -0.29 -4.71 117.44 116.79 1pn5 n TRP 64 Ca -0.20 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 1pn5 n TRP 64 Cb 0.76 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.71 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 1.26 0.22 -1.67 0.00 -0.04 -1.47 105.19 103.94 1pn5 n GLY 65 Ca 0.00 0.67 0.15 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 -0.91 1.61 9.65 -1.90 -2.88 114.38 119.96 1pn5 h ARG 66 Ca 0.00 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 1pn5 h ARG 66 Cb 0.00 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.45 1pn5 h ARG 66 CO 0.00 0.00 -0.52 -0.07 2.80 0.00 0.00 179.97 182.18 1pn5 h LEU 67 N 0.00 -1.88 -1.01 3.80 4.07 -1.67 -0.34 115.31 118.29 1pn5 h LEU 67 Ca 0.00 0.31 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1pn5 h LEU 67 Cb 0.03 0.86 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1pn5 h LEU 67 CO 0.00 -0.27 0.00 0.00 -1.08 0.00 0.00 178.44 177.09 1pn5 h ALA 68 N 0.71 1.00 -0.27 1.53 0.00 -1.77 -1.54 119.26 118.92 1pn5 h ALA 68 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1pn5 h ALA 68 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pn5 h ALA 68 CO -0.90 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 178.30 1pn5 h TYR 70 N 0.28 0.81 0.00 0.00 0.05 -1.15 -2.27 116.97 114.69 1pn5 h TYR 70 Ca 0.07 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1pn5 h TYR 70 Cb 0.52 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1pn5 h TYR 70 CO 0.05 0.62 0.00 1.28 -1.05 0.00 0.00 178.16 179.06 1pn5 n LEU 71 N -4.56 0.00 -0.00 3.88 4.32 -0.65 -1.03 117.00 118.96 1pn5 n LEU 71 Ca 0.03 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.09 1pn5 n LEU 71 Cb 0.12 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1pn5 n LEU 71 CO 0.38 0.00 -0.35 -0.62 -1.22 0.00 0.00 177.39 175.57 1pn5 n GLU 72 N -0.52 1.45 0.28 3.23 1.02 0.12 -3.99 120.64 122.23 1pn5 n GLU 72 Ca 0.01 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.97 1pn5 n GLU 72 Cb 0.00 -1.24 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.00 -0.70 -3.47 -0.32 3.57 -0.72 -3.46 116.94 111.84 1pn5 h PHE 73 Ca 0.00 -0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.95 1pn5 h PHE 73 Cb 0.48 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1pn5 h PHE 73 CO 0.00 -0.43 -0.08 -0.48 -2.23 0.00 0.00 178.31 175.09 1pn5 s LEU 74 N -9.25 4.17 0.00 0.59 2.34 -1.21 -5.09 118.68 110.23 1pn5 s LEU 74 Ca -0.11 0.99 0.00 0.00 0.06 0.00 0.00 54.13 55.08 1pn5 s LEU 74 Cb 0.01 -3.71 0.00 0.00 -0.56 0.00 0.00 46.19 41.93 1pn5 s LEU 74 CO 0.33 -0.08 0.02 0.29 -1.06 0.00 0.00 176.35 175.86 1pn5 n LYS 75 N -0.09 1.63 0.16 1.48 4.76 -1.26 -4.65 118.16 120.19 1pn5 n LYS 75 Ca 0.00 -0.69 0.11 0.00 -2.87 0.00 0.00 58.31 54.87 1pn5 n LYS 75 Cb 0.52 0.15 0.58 0.00 -1.84 0.00 0.00 35.03 34.45 1pn5 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1pn5 n LYS 76 N -0.40 0.14 0.00 1.97 4.76 -1.26 -0.68 118.16 122.69 1pn5 n LYS 76 Ca -0.03 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1pn5 n LYS 76 Cb 0.12 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.26 0.00 -0.00 1.97 4.71 -1.26 -3.06 120.64 120.74 1pn5 n GLU 77 Ca -0.01 0.67 0.07 0.00 -0.01 0.00 0.00 57.16 57.88 1pn5 n GLU 77 Cb 0.04 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 28.97 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1pn5 n GLU 78 N -2.19 0.93 -0.22 3.49 1.02 -0.54 -2.97 120.64 120.16 1pn5 n GLU 78 Ca 0.00 -0.10 -0.07 0.00 -0.02 0.00 0.00 57.16 56.97 1pn5 n GLU 78 Cb 0.00 -1.29 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.81 -0.08 -4.62 7.12 -1.10 0.75 115.31 118.19 1pn5 h LEU 79 Ca 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.85 1pn5 h LEU 79 Cb 0.57 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1pn5 h LEU 79 CO 0.00 0.72 -0.06 0.50 -0.13 0.00 0.00 178.44 179.46 1pn5 h LYS 80 N 0.84 0.18 -0.61 1.25 1.63 -1.61 -2.06 116.57 116.19 1pn5 h LYS 80 Ca 0.21 -0.09 0.10 0.00 -0.85 0.00 0.00 60.65 60.02 1pn5 h LYS 80 Cb 0.13 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.68 1pn5 h LYS 80 CO -0.03 0.59 0.21 0.93 -3.45 0.00 0.00 179.45 177.71 1pn5 h GLU 81 N -0.22 0.37 -0.56 1.90 4.39 -1.48 0.14 114.58 119.12 1pn5 h GLU 81 Ca 0.01 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1pn5 h GLU 81 Cb 0.55 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1pn5 h GLU 81 CO 0.02 0.25 0.21 0.35 -1.16 0.00 0.00 179.01 178.67 1pn5 h PHE 82 N 0.38 0.37 -0.23 4.33 3.04 -0.76 0.22 116.94 124.29 1pn5 h PHE 82 Ca 0.31 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 1pn5 h PHE 82 Cb 0.40 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1pn5 h PHE 82 CO -0.18 0.12 0.08 0.37 -2.02 0.00 0.00 178.31 176.67 1pn5 h GLN 83 N 0.40 0.36 0.45 1.11 4.15 -0.55 -2.93 115.11 118.11 1pn5 h GLN 83 Ca 0.27 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 1pn5 h GLN 83 Cb 0.30 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1pn5 h GLN 83 CO -0.27 0.44 -0.22 1.25 -1.93 0.00 0.00 178.83 178.11 1pn5 h LEU 84 N 0.21 -0.52 -0.44 -2.39 6.46 0.37 0.06 115.31 119.07 1pn5 h LEU 84 Ca 0.08 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1pn5 h LEU 84 Cb 0.23 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1pn5 h LEU 84 CO -0.00 -0.31 0.02 -0.07 -0.62 0.00 0.00 178.44 177.45 1pn5 h LEU 85 N -0.72 -0.14 0.60 2.25 3.38 -0.76 0.29 115.31 120.20 1pn5 h LEU 85 Ca -0.06 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1pn5 h LEU 85 Cb 0.47 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1pn5 h LEU 85 CO 0.10 -0.04 -0.29 0.25 0.09 0.00 0.00 178.44 178.56 1pn5 h LEU 86 N 0.13 -0.68 -2.08 1.67 6.46 -1.55 0.04 115.31 119.31 1pn5 h LEU 86 Ca 0.22 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1pn5 h LEU 86 Cb 0.31 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1pn5 h LEU 86 CO -0.35 -0.43 -0.08 0.00 -0.62 0.00 0.00 178.44 176.96 1pn5 h ALA 87 N -0.54 1.28 0.00 1.25 0.00 -0.60 0.20 119.26 120.85 1pn5 h ALA 87 Ca -0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1pn5 h ALA 87 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1pn5 h ALA 87 CO 0.14 0.10 -0.91 -0.91 0.00 0.00 0.00 179.25 177.66 1pn5 h ASN 88 N 0.00 0.00 -0.40 0.00 4.21 -0.74 -3.08 115.58 115.57 1pn5 h ASN 88 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1pn5 h ASN 88 Cb 0.26 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.44 1pn5 h ASN 88 CO 0.01 0.91 0.17 0.50 -1.29 0.00 0.00 177.43 177.74 1pn5 h LYS 89 N 0.00 0.58 -2.91 0.81 1.63 0.75 -3.34 116.57 114.09 1pn5 h LYS 89 Ca -0.01 -0.10 -0.63 0.00 -0.85 0.00 0.00 60.65 59.06 1pn5 h LYS 89 Cb 1.69 -0.10 0.02 0.00 -0.60 0.00 0.00 32.23 33.24 1pn5 h LYS 89 CO 0.12 0.54 3.50 0.00 -3.45 0.00 0.00 179.45 180.15 1pn5 n ALA 90 N -2.29 7.48 -1.66 5.00 0.00 0.52 -4.93 120.51 124.63 1pn5 n ALA 90 Ca -0.00 -3.40 -0.59 0.00 0.00 0.00 0.00 53.44 49.45 1pn5 n ALA 90 Cb 0.13 -3.28 -0.08 0.00 0.00 0.00 0.00 19.45 16.22 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 3.46 1.60 -3.97 0.00 1.44 -1.25 -4.91 115.22 111.59 1pn5 n HIS 91 Ca 0.76 0.81 -0.13 0.00 -2.01 0.00 0.00 57.72 57.15 1pn5 n HIS 91 Cb 0.29 -2.30 -0.01 0.00 0.12 0.00 0.00 29.99 28.09 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 2.08 0.62 0.51 4.39 1.04 -1.26 -5.09 113.70 115.99 1pn5 s SER 92 Ca 0.96 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1pn5 s SER 92 Cb -1.19 0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1pn5 s SER 92 CO 0.64 -1.51 0.00 0.54 0.98 0.00 0.00 173.24 173.89 1pn5 n ARG 93 N -0.57 0.00 -3.99 4.02 1.74 -1.26 -4.76 116.66 111.83 1pn5 n ARG 93 Ca -0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 1pn5 n ARG 93 Cb 0.61 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.98 1pn5 n ARG 93 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pn5 s SER 94 N -4.00 0.04 0.51 0.55 0.01 -1.26 -5.10 113.70 104.45 1pn5 s SER 94 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1pn5 s SER 94 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1pn5 s SER 94 CO 0.00 -0.91 0.00 -1.20 0.41 0.00 0.00 173.24 171.54 1pn5 n SER 95 N -0.23 -6.69 -0.39 2.44 7.64 -1.26 -5.05 113.62 110.08 1pn5 n SER 95 Ca -0.06 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1pn5 n SER 95 Cb 0.63 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pn5 n SER 96 N -3.98 -2.67 0.00 6.43 7.64 -1.26 -4.91 113.62 114.88 1pn5 n SER 96 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1pn5 n SER 96 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.00 0.18 3.75 0.23 0.00 -1.26 -4.99 105.19 103.09 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 -1.83 0.00 0.00 0.00 173.32 171.49 1pn5 s GLU 98 N -0.31 4.26 0.83 1.61 -1.05 -1.26 -4.61 118.70 118.17 1pn5 s GLU 98 Ca 0.00 2.32 -0.11 0.00 -0.15 0.00 0.00 54.97 57.03 1pn5 s GLU 98 Cb 0.00 -3.10 0.09 0.00 -0.44 0.00 0.00 34.13 30.68 1pn5 s GLU 98 CO 0.00 -0.43 1.10 0.95 0.95 0.00 0.00 175.26 177.83 1pn5 s THR 99 N -0.07 2.93 1.17 1.83 -4.23 -1.26 -5.08 115.64 110.92 1pn5 s THR 99 Ca 0.59 0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 61.21 1pn5 s THR 99 Cb -0.42 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 70.74 1pn5 s THR 99 CO 0.44 -0.40 1.17 -2.16 -0.54 0.00 0.00 174.62 173.14 1pn5 s PRO 100 N -5.08 -0.96 -0.94 3.99 0.04 -1.26 -4.63 135.00 126.16 1pn5 s PRO 100 Ca 0.62 -0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 1pn5 s PRO 100 Cb -0.16 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1pn5 s PRO 100 CO 0.55 -3.51 0.80 0.00 0.04 0.00 0.00 177.00 174.88 1pn5 n ALA 101 N -4.58 -2.52 -1.76 8.56 0.00 -1.26 -4.99 120.51 113.95 1pn5 n ALA 101 Ca 0.15 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1pn5 n ALA 101 Cb 0.60 -3.72 0.02 0.00 0.00 0.00 0.00 19.45 16.35 1pn5 n ALA 101 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pn5 s GLN 102 N -4.16 3.44 0.70 0.00 -1.52 -1.26 -5.00 119.66 111.86 1pn5 s GLN 102 Ca 0.27 2.24 -0.11 0.00 -1.95 0.00 0.00 55.36 55.81 1pn5 s GLN 102 Cb -0.05 -2.44 0.01 0.00 -0.22 0.00 0.00 33.01 30.31 1pn5 s GLN 102 CO 0.77 -0.95 1.07 -1.25 -0.25 0.00 0.00 175.29 174.68 1pn5 s PRO 103 N -2.69 2.95 -0.08 2.91 0.04 -1.26 -5.00 135.00 131.87 1pn5 s PRO 103 Ca 0.66 0.72 0.14 0.00 0.04 0.00 0.00 61.00 62.56 1pn5 s PRO 103 Cb -0.40 -2.01 0.45 0.00 0.04 0.00 0.00 34.50 32.58 1pn5 s PRO 103 CO 0.49 -1.03 1.37 0.39 0.04 0.00 0.00 177.00 178.26 1pn5 n GLU 104 N -3.05 3.02 -2.73 4.56 4.71 -1.26 -4.94 120.64 120.96 1pn5 n GLU 104 Ca 0.07 -2.47 -0.31 0.00 -0.01 0.00 0.00 57.16 54.43 1pn5 n GLU 104 Cb 0.55 -1.58 -0.04 0.00 -1.01 0.00 0.00 31.44 29.36 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1pn5 s LYS 105 N -1.82 3.89 0.00 3.49 1.02 -1.26 -4.99 119.74 120.08 1pn5 s LYS 105 Ca 0.34 0.71 0.00 0.00 0.02 0.00 0.00 55.97 57.04 1pn5 s LYS 105 Cb 0.23 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1pn5 s LYS 105 CO 0.14 -0.09 0.00 0.25 -0.92 0.00 0.00 175.35 174.73 1pn5 n THR 106 N -1.24 0.00 -4.94 2.17 -2.24 -1.26 -5.01 114.28 101.76 1pn5 n THR 106 Ca 0.04 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 1pn5 n THR 106 Cb 0.54 1.42 -0.15 0.00 -2.10 0.00 0.00 70.33 70.04 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 2.48 0.18 3.42 0.01 -1.26 -5.03 113.70 113.51 1pn5 s SER 107 Ca 0.00 -0.42 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 1pn5 s SER 107 Cb 0.00 -0.26 0.11 0.00 0.21 0.00 0.00 66.02 66.08 1pn5 s SER 107 CO 0.00 0.24 1.59 1.23 0.41 0.00 0.00 173.24 176.71 1pn5 h GLY 108 N 5.43 -0.12 0.97 3.44 0.00 -1.92 0.19 103.07 111.06 1pn5 h GLY 108 Ca -0.40 0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.47 1pn5 h GLY 108 CO 0.47 -0.21 0.39 0.00 0.00 0.00 0.00 176.54 177.19 1pn5 h MET 109 N -0.18 0.00 0.01 4.80 -0.00 -1.83 0.79 114.93 118.51 1pn5 h MET 109 Ca 0.22 0.00 -0.37 0.00 -0.00 0.00 0.00 59.70 59.55 1pn5 h MET 109 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.08 1pn5 h MET 109 CO -0.63 0.00 -2.31 0.39 -0.00 0.00 0.00 176.91 174.36 1pn5 n GLU 110 N -4.06 0.68 -0.37 -0.10 1.02 -0.23 -3.48 120.64 114.09 1pn5 n GLU 110 Ca 0.08 0.10 0.04 0.00 -0.02 0.00 0.00 57.16 57.36 1pn5 n GLU 110 Cb 0.58 -1.57 0.19 0.00 -0.02 0.00 0.00 31.44 30.63 1pn5 n GLU 110 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pn5 h VAL 111 N 0.01 1.04 0.84 2.62 2.07 -0.68 -0.81 116.25 121.33 1pn5 h VAL 111 Ca -0.52 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1pn5 h VAL 111 Cb 2.08 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1pn5 h VAL 111 CO -0.00 0.20 -0.45 0.00 0.02 0.00 0.00 177.57 177.34 1pn5 h ALA 112 N 1.48 -1.30 0.00 1.67 0.00 -0.97 0.11 119.26 120.25 1pn5 h ALA 112 Ca 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1pn5 h ALA 112 Cb 0.27 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pn5 h ALA 112 CO -0.20 -1.23 -0.07 0.66 0.00 0.00 0.00 179.25 178.41 1pn5 h SER 113 N -1.19 0.00 -0.08 0.00 4.64 -1.57 -1.12 113.55 114.22 1pn5 h SER 113 Ca -0.11 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 1pn5 h SER 113 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1pn5 h SER 113 CO 0.16 0.07 -0.61 0.22 -0.87 0.00 0.00 176.83 175.80 1pn5 h TYR 114 N 0.00 0.77 -0.13 4.77 5.03 -0.88 -1.89 116.97 124.63 1pn5 h TYR 114 Ca -0.00 -0.36 0.01 0.00 2.58 0.00 0.00 58.73 60.96 1pn5 h TYR 114 Cb 0.21 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1pn5 h TYR 114 CO 0.00 1.16 0.06 -0.07 -1.32 0.00 0.00 178.16 177.99 1pn5 h LEU 115 N 0.16 0.09 -0.66 2.82 4.07 -0.01 0.13 115.31 121.91 1pn5 h LEU 115 Ca -0.05 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.01 1pn5 h LEU 115 Cb 1.26 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.92 1pn5 h LEU 115 CO 0.12 0.07 0.28 0.58 -1.08 0.00 0.00 178.44 178.42 1pn5 h VAL 116 N 0.14 0.79 0.97 1.22 2.07 -1.29 -0.50 116.25 119.65 1pn5 h VAL 116 Ca 0.05 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1pn5 h VAL 116 Cb 0.01 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1pn5 h VAL 116 CO -0.04 0.09 -0.47 0.00 0.02 0.00 0.00 177.57 177.17 1pn5 h ALA 117 N 1.43 -1.31 -0.80 1.67 0.00 -0.56 -0.18 119.26 119.52 1pn5 h ALA 117 Ca 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pn5 h ALA 117 Cb 0.40 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1pn5 h ALA 117 CO -0.30 -1.22 0.41 1.96 0.00 0.00 0.00 179.25 180.10 1pn5 h GLN 118 N -1.34 1.13 0.00 0.00 1.08 -0.45 -3.35 115.11 112.19 1pn5 h GLN 118 Ca -0.13 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1pn5 h GLN 118 Cb 1.00 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1pn5 h GLN 118 CO 0.22 0.86 -1.01 0.66 -0.95 0.00 0.00 178.83 178.61 1pn5 n TYR 119 N -4.38 0.00 0.00 2.96 4.02 -0.22 -5.09 117.16 114.44 1pn5 n TYR 119 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1pn5 n TYR 119 Cb 0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 2.69 1.54 0.34 2.72 0.00 -0.08 -4.61 105.19 107.78 1pn5 n GLY 120 Ca -0.00 -1.81 0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 0.00 0.00 1.61 -0.00 -1.84 -0.12 114.58 114.23 1pn5 h GLU 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1pn5 h GLU 121 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1pn5 h GLU 121 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.05 1pn5 n GLN 122 N -4.12 0.00 0.29 1.06 1.13 -1.26 -3.40 117.38 111.09 1pn5 n GLN 122 Ca 0.04 0.25 0.15 0.00 -1.94 0.00 0.00 57.00 55.50 1pn5 n GLN 122 Cb 0.38 -1.17 0.90 0.00 0.11 0.00 0.00 30.24 30.47 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 -1.79 0.40 114.38 111.90 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 0.03 0.10 0.00 0.00 0.00 0.00 179.97 180.10 1pn5 h ALA 124 N 1.97 1.09 0.00 0.04 0.00 -1.06 -1.06 119.26 120.25 1pn5 h ALA 124 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pn5 h ALA 124 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pn5 h ALA 124 CO 0.00 -0.09 -0.55 1.87 0.00 0.00 0.00 179.25 180.48 1pn5 n TRP 125 N -2.85 0.00 -0.26 0.00 -0.00 -0.08 -4.48 117.44 109.77 1pn5 n TRP 125 Ca -0.02 0.00 0.32 0.00 -0.00 0.00 0.00 57.50 57.80 1pn5 n TRP 125 Cb 0.16 -0.14 0.74 0.00 -0.00 0.00 0.00 31.31 32.07 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 -0.21 0.00 0.00 5.87 3.58 -0.30 0.52 116.42 125.89 1pn5 h ASP 126 Ca -0.05 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 1pn5 h ASP 126 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1pn5 h ASP 126 CO -0.03 0.00 -0.78 0.25 -2.88 0.00 0.00 179.24 175.80 1pn5 h LEU 127 N 0.00 0.00 -2.02 2.28 5.85 -1.40 -3.40 115.31 116.62 1pn5 h LEU 127 Ca 0.50 -0.39 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1pn5 h LEU 127 Cb 2.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 1pn5 h LEU 127 CO -0.01 1.14 0.40 0.00 -0.34 0.00 0.00 178.44 179.63 1pn5 h ALA 128 N -0.61 2.11 -0.98 1.25 0.00 -0.72 -0.71 119.26 119.59 1pn5 h ALA 128 Ca -0.18 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1pn5 h ALA 128 Cb 0.93 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1pn5 h ALA 128 CO -0.11 -0.60 0.64 -0.07 0.00 0.00 0.00 179.25 179.11 1pn5 h LEU 129 N 0.00 1.03 -2.73 0.00 -0.00 -0.26 -3.20 115.31 110.15 1pn5 h LEU 129 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1pn5 h LEU 129 Cb 0.98 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1pn5 h LEU 129 CO -0.00 0.68 0.07 1.12 -0.00 0.00 0.00 178.44 180.30 1pn5 h HIS 130 N 1.18 0.00 0.00 1.13 2.07 -1.37 0.86 115.15 119.02 1pn5 h HIS 130 Ca 0.41 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.92 1pn5 h HIS 130 Cb 0.11 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 1pn5 h HIS 130 CO -0.01 0.00 -0.07 1.79 -3.07 0.00 0.00 177.93 176.58 1pn5 h THR 131 N 0.00 0.60 -0.94 6.12 1.35 -1.77 -2.62 112.91 115.66 1pn5 h THR 131 Ca 0.01 -0.29 0.04 0.00 -0.55 0.00 0.00 66.41 65.62 1pn5 h THR 131 Cb 0.14 1.18 -0.06 0.00 -1.73 0.00 0.00 68.15 67.69 1pn5 h THR 131 CO -0.00 0.07 0.62 4.11 -0.25 0.00 0.00 175.52 180.06 1pn5 h TRP 132 N 0.00 1.14 -0.09 4.73 5.08 -1.06 0.97 115.95 126.71 1pn5 h TRP 132 Ca -0.00 0.03 -0.21 0.00 1.08 0.00 0.00 58.89 59.79 1pn5 h TRP 132 Cb 0.18 -0.38 0.00 0.00 -3.00 0.00 0.00 29.16 25.96 1pn5 h TRP 132 CO 0.00 0.64 -0.79 1.49 -1.28 0.00 0.00 178.44 178.50 1pn5 h GLU 133 N 1.16 0.54 0.13 0.12 4.81 -1.66 0.23 114.58 119.90 1pn5 h GLU 133 Ca 0.38 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pn5 h GLU 133 Cb 0.05 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1pn5 h GLU 133 CO -0.12 1.10 -0.06 1.96 -0.73 0.00 0.00 179.01 181.15 1pn5 h GLN 134 N 0.36 -0.17 0.00 1.92 4.20 -1.57 -3.34 115.11 116.52 1pn5 h GLN 134 Ca -0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pn5 h GLN 134 Cb 1.40 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1pn5 h GLN 134 CO 0.15 0.26 0.00 0.52 -0.67 0.00 0.00 178.83 179.08 1pn5 h MET 135 N -0.93 0.00 0.00 1.46 2.86 -0.88 -3.47 114.93 113.97 1pn5 h MET 135 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1pn5 h MET 135 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1pn5 h MET 135 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1pn5 n GLY 136 N 0.46 0.75 3.55 8.32 0.00 0.74 -5.00 105.19 114.01 1pn5 n GLY 136 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 3.30 0.09 0.99 2.01 -0.85 -4.86 118.68 119.36 1pn5 s LEU 137 Ca 0.00 -0.83 -0.35 0.00 0.01 0.00 0.00 54.13 52.96 1pn5 s LEU 137 Cb 0.00 -2.56 -0.16 0.00 0.01 0.00 0.00 46.19 43.48 1pn5 s LEU 137 CO 0.00 -1.76 1.57 -0.09 1.01 0.00 0.00 176.35 177.08 1pn5 h ARG 138 N 10.19 -0.88 0.00 1.70 2.43 -1.95 -2.16 114.38 123.72 1pn5 h ARG 138 Ca -0.07 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1pn5 h ARG 138 Cb 1.04 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1pn5 h ARG 138 CO 1.34 -0.59 0.00 1.03 -1.51 0.00 0.00 179.97 180.24 1pn5 h SER 139 N -0.92 0.00 0.41 -3.80 0.87 -1.98 0.78 113.55 108.91 1pn5 h SER 139 Ca -0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1pn5 h SER 139 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1pn5 h SER 139 CO -0.09 0.00 -0.20 -0.07 -0.53 0.00 0.00 176.83 175.94 1pn5 h LEU 140 N 0.00 -0.47 -1.09 2.23 3.38 -1.93 -2.31 115.31 115.12 1pn5 h LEU 140 Ca 0.00 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.20 1pn5 h LEU 140 Cb 0.34 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 1pn5 h LEU 140 CO 0.00 -0.16 0.61 0.00 0.09 0.00 0.00 178.44 178.99 1pn5 n ALA 142 N -2.36 0.00 0.28 0.00 0.00 0.15 -3.77 120.51 114.81 1pn5 n ALA 142 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1pn5 n ALA 142 Cb 0.65 0.01 0.81 0.00 0.00 0.00 0.00 19.45 20.92 1pn5 n ALA 142 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1pn5 h GLN 143 N 0.00 0.00 -0.25 0.00 4.20 -1.12 -0.18 115.11 117.76 1pn5 h GLN 143 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1pn5 h GLN 143 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1pn5 h GLN 143 CO 0.00 0.07 0.34 0.00 -0.67 0.00 0.00 178.83 178.57 1pn5 h ALA 144 N 1.93 1.83 0.00 3.87 0.00 -0.92 -3.22 119.26 122.75 1pn5 h ALA 144 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1pn5 h ALA 144 Cb 0.18 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.74 1pn5 h ALA 144 CO 0.01 -0.47 -0.83 1.04 0.00 0.00 0.00 179.25 179.00 1pn5 n GLN 145 N -3.53 0.02 -2.16 0.00 6.02 -0.09 -4.86 117.38 112.77 1pn5 n GLN 145 Ca 0.03 -1.66 -0.11 0.00 -0.01 0.00 0.00 57.00 55.26 1pn5 n GLN 145 Cb 0.47 -0.21 0.05 0.00 1.02 0.00 0.00 30.24 31.57 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 0.29 2.52 -0.87 -1.09 1.02 -1.14 -4.96 120.64 116.41 1pn5 n GLU 146 Ca 0.04 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.47 1pn5 n GLU 146 Cb 0.98 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.63 0.69 0.00 0.62 0.00 -1.26 -4.93 105.19 99.68 1pn5 n GLY 147 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 0.61 1.99 -1.52 4.61 0.00 -1.26 -4.89 120.51 120.05 1pn5 n ALA 148 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 53.44 52.87 1pn5 n ALA 148 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.04 -0.25 0.81 0.00 0.00 -1.26 -4.78 105.19 99.68 1pn5 n GLY 149 Ca 0.02 0.66 0.08 0.00 0.00 0.00 0.00 46.02 46.78 1pn5 n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pn5 n HIS 150 N 1.53 -1.58 -0.97 1.61 8.25 -1.26 -5.00 115.22 117.80 1pn5 n HIS 150 Ca 0.19 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 1pn5 n HIS 150 Cb 0.15 -1.44 0.00 0.00 1.12 0.00 0.00 29.99 29.83 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43