#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 0.09 0.00 3.04 0.00 -1.26 -4.97 121.76 118.66 1pn5 s ALA 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1pn5 s ALA 60 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1pn5 s ALA 60 CO 0.00 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1pn5 n GLY 61 N 5.30 0.98 0.00 0.00 0.00 -1.26 -5.05 105.19 105.16 1pn5 n GLY 61 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.48 3.38 0.00 -0.02 0.00 -1.26 -4.67 105.19 103.10 1pn5 n GLY 62 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.35 4.61 0.00 -1.26 -5.04 120.51 118.47 1pn5 n ALA 63 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1pn5 n ALA 63 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.60 0.28 0.00 4.27 -1.26 -4.65 117.44 116.68 1pn5 n TRP 64 Ca 0.00 -0.57 0.17 0.00 -3.89 0.00 0.00 57.50 53.21 1pn5 n TRP 64 Cb 0.05 -0.09 0.88 0.00 -1.36 0.00 0.00 31.31 30.79 1pn5 n TRP 64 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1pn5 h GLY 65 N 2.10 0.00 0.07 -1.67 0.00 -1.96 -0.08 103.07 101.54 1pn5 h GLY 65 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1pn5 h GLY 65 CO 0.05 0.00 -2.40 0.54 0.00 0.00 0.00 176.54 174.73 1pn5 n ARG 66 N -2.75 0.67 -0.20 4.80 5.12 -1.26 -4.12 116.66 118.92 1pn5 n ARG 66 Ca -0.01 0.11 -0.01 0.00 -1.93 0.00 0.00 57.85 56.01 1pn5 n ARG 66 Cb 0.11 -1.54 0.10 0.00 -1.16 0.00 0.00 32.46 29.97 1pn5 n ARG 66 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1pn5 h LEU 67 N 0.00 0.26 -1.55 0.55 3.38 -1.54 0.65 115.31 117.07 1pn5 h LEU 67 Ca -0.55 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1pn5 h LEU 67 Cb 2.02 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 1pn5 h LEU 67 CO -0.04 0.16 -0.23 0.00 0.09 0.00 0.00 178.44 178.42 1pn5 h ALA 68 N 1.39 1.55 -0.59 1.53 0.00 -1.30 -3.01 119.26 118.83 1pn5 h ALA 68 Ca 0.29 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 68 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1pn5 h ALA 68 CO -0.28 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.41 1pn5 h TYR 70 N 0.86 -0.54 0.00 0.00 0.05 -1.46 -3.04 116.97 112.83 1pn5 h TYR 70 Ca 0.19 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1pn5 h TYR 70 Cb 0.34 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1pn5 h TYR 70 CO 0.02 -0.31 0.00 1.28 -1.05 0.00 0.00 178.16 178.10 1pn5 n LEU 71 N -5.33 0.00 0.06 3.88 4.32 -0.65 -2.63 117.00 116.65 1pn5 n LEU 71 Ca -0.09 0.21 0.12 0.00 -0.02 0.00 0.00 56.01 56.23 1pn5 n LEU 71 Cb 0.24 -0.21 0.04 0.00 -1.62 0.00 0.00 43.42 41.87 1pn5 n LEU 71 CO 0.32 -0.16 0.04 1.21 -1.22 0.00 0.00 177.39 177.58 1pn5 n GLU 72 N -1.21 0.44 -0.01 3.23 2.13 0.19 -4.11 120.64 121.30 1pn5 n GLU 72 Ca 0.04 0.06 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 1pn5 n GLU 72 Cb 0.05 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 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 -0.09 -4.25 4.31 -0.00 -1.66 -3.46 116.94 111.79 1pn5 h PHE 73 Ca 0.00 -0.00 -0.52 0.00 -0.00 0.00 0.00 57.97 57.45 1pn5 h PHE 73 Cb 0.86 0.03 0.13 0.00 -0.00 0.00 0.00 35.95 36.97 1pn5 h PHE 73 CO 0.00 0.34 0.33 -0.48 -0.00 0.00 0.00 178.31 178.51 1pn5 s LEU 74 N -8.62 3.16 0.00 2.10 2.34 -1.26 -5.09 118.68 111.32 1pn5 s LEU 74 Ca -0.10 2.00 0.00 0.00 0.06 0.00 0.00 54.13 56.09 1pn5 s LEU 74 Cb -0.01 -4.55 -0.00 0.00 -0.56 0.00 0.00 46.19 41.08 1pn5 s LEU 74 CO 0.35 -2.08 0.00 0.29 -1.06 0.00 0.00 176.35 173.86 1pn5 n LYS 75 N -3.15 1.67 0.19 1.48 5.02 -1.26 -4.82 118.16 117.29 1pn5 n LYS 75 Ca 0.10 -0.94 0.08 0.00 -2.02 0.00 0.00 58.31 55.53 1pn5 n LYS 75 Cb 0.52 0.26 0.45 0.00 -0.02 0.00 0.00 35.03 36.24 1pn5 n LYS 75 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pn5 h LYS 76 N 0.00 0.00 -1.01 1.97 6.56 -1.93 0.74 116.57 122.90 1pn5 h LYS 76 Ca -0.11 0.00 0.24 0.00 -1.06 0.00 0.00 60.65 59.72 1pn5 h LYS 76 Cb 0.33 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.89 1pn5 h LYS 76 CO 0.18 0.00 0.63 0.93 -2.06 0.00 0.00 179.45 179.13 1pn5 h GLU 77 N 0.00 0.50 0.00 3.15 5.08 -2.01 -3.21 114.58 118.10 1pn5 h GLU 77 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pn5 h GLU 77 Cb 0.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pn5 h GLU 77 CO 0.00 0.33 0.00 -0.85 -1.00 0.00 0.00 179.01 177.49 1pn5 n GLU 78 N -4.68 0.00 -0.37 2.33 0.00 -0.96 -4.80 120.64 112.16 1pn5 n GLU 78 Ca 0.24 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.43 1pn5 n GLU 78 Cb 0.76 -0.12 0.18 0.00 0.00 0.00 0.00 31.44 32.26 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1pn5 h LEU 79 N 0.00 1.02 0.38 -1.84 7.12 -1.01 0.73 115.31 121.72 1pn5 h LEU 79 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 1pn5 h LEU 79 Cb 0.19 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1pn5 h LEU 79 CO 0.00 0.64 -0.28 0.50 -0.13 0.00 0.00 178.44 179.16 1pn5 h LYS 80 N 1.15 -0.64 -0.95 1.25 1.63 -1.76 -2.31 116.57 114.94 1pn5 h LYS 80 Ca 0.44 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.41 1pn5 h LYS 80 Cb 0.21 0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.90 1pn5 h LYS 80 CO -0.19 -0.42 0.61 0.93 -3.45 0.00 0.00 179.45 176.93 1pn5 h GLU 81 N -0.66 0.85 0.56 1.90 3.07 -1.67 0.21 114.58 118.84 1pn5 h GLU 81 Ca -0.03 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1pn5 h GLU 81 Cb 0.57 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1pn5 h GLU 81 CO 0.00 0.56 -0.44 0.35 -1.40 0.00 0.00 179.01 178.08 1pn5 h PHE 82 N 0.87 -1.21 0.00 4.33 3.04 -0.62 0.10 116.94 123.46 1pn5 h PHE 82 Ca 0.47 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.37 1pn5 h PHE 82 Cb 0.57 0.45 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1pn5 h PHE 82 CO -0.00 -0.62 -0.27 0.37 -2.02 0.00 0.00 178.31 175.76 1pn5 h GLN 83 N -0.97 0.00 0.16 1.11 -0.00 -0.62 0.70 115.11 115.49 1pn5 h GLN 83 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1pn5 h GLN 83 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.29 1pn5 h GLN 83 CO 0.01 0.27 -0.08 1.25 0.00 0.00 0.00 178.83 180.29 1pn5 h LEU 84 N 0.00 -0.19 -0.32 -2.39 5.85 -0.57 -2.69 115.31 115.01 1pn5 h LEU 84 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1pn5 h LEU 84 Cb 0.58 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1pn5 h LEU 84 CO 0.04 -0.12 0.19 -0.07 -0.34 0.00 0.00 178.44 178.13 1pn5 h LEU 85 N -0.25 0.31 -0.33 2.25 3.38 -0.65 -2.56 115.31 117.45 1pn5 h LEU 85 Ca -0.02 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1pn5 h LEU 85 Cb 0.17 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1pn5 h LEU 85 CO 0.04 0.22 -0.22 0.25 0.09 0.00 0.00 178.44 178.82 1pn5 h LEU 86 N 0.38 -0.72 -1.80 1.67 7.12 -0.99 0.15 115.31 121.12 1pn5 h LEU 86 Ca 0.12 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 1pn5 h LEU 86 Cb -0.01 0.36 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1pn5 h LEU 86 CO -0.05 -0.25 -0.06 0.00 -0.13 0.00 0.00 178.44 177.95 1pn5 h ALA 87 N 0.99 1.07 0.07 1.25 0.00 -1.11 -0.44 119.26 121.09 1pn5 h ALA 87 Ca 0.17 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1pn5 h ALA 87 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1pn5 h ALA 87 CO -0.44 0.08 -1.46 -0.97 0.00 0.00 0.00 179.25 176.46 1pn5 h ASN 88 N 0.00 0.23 0.38 0.00 -1.24 -0.83 -3.37 115.58 110.76 1pn5 h ASN 88 Ca -0.00 -0.76 -0.01 0.00 0.71 0.00 0.00 56.30 56.24 1pn5 h ASN 88 Cb 0.41 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1pn5 h ASN 88 CO 0.01 1.61 -0.42 0.50 -1.29 0.00 0.00 177.43 177.84 1pn5 h LYS 89 N -0.49 -0.78 0.00 6.67 3.11 -0.70 -3.48 116.57 120.89 1pn5 h LYS 89 Ca -0.34 0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1pn5 h LYS 89 Cb 1.63 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 33.04 1pn5 h LYS 89 CO -0.04 -0.52 -0.01 0.00 -2.81 0.00 0.00 179.45 176.07 1pn5 n ALA 90 N -2.72 -0.19 -1.25 5.00 0.00 -0.18 -3.80 120.51 117.37 1pn5 n ALA 90 Ca -0.10 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.12 1pn5 n ALA 90 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.77 1.60 -3.94 0.00 1.44 -1.26 -4.93 115.22 107.37 1pn5 n HIS 91 Ca 0.00 -1.98 -0.10 0.00 -2.01 0.00 0.00 57.72 53.63 1pn5 n HIS 91 Cb 0.02 -1.23 -0.10 0.00 0.12 0.00 0.00 29.99 28.80 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 0.24 0.16 0.00 4.39 0.15 -1.25 -4.96 113.70 112.43 1pn5 s SER 92 Ca 0.49 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1pn5 s SER 92 Cb 0.33 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1pn5 s SER 92 CO -0.13 -0.39 0.00 -1.14 1.20 0.00 0.00 173.24 172.79 1pn5 n ARG 93 N 1.29 4.03 -3.18 5.44 0.63 -1.26 -4.96 116.66 118.64 1pn5 n ARG 93 Ca -0.22 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.50 1pn5 n ARG 93 Cb 0.56 -0.35 -0.06 0.00 0.45 0.00 0.00 32.46 33.06 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 -0.02 -0.82 0.00 6.15 3.41 -1.26 -5.01 113.62 116.07 1pn5 n SER 94 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1pn5 n SER 94 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1pn5 n SER 94 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pn5 n SER 95 N 2.20 0.00 0.00 4.04 7.64 -1.26 -4.82 113.62 121.42 1pn5 n SER 95 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1pn5 n SER 95 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1pn5 n SER 95 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1pn5 n SER 96 N 0.84 0.00 0.00 6.43 2.88 -1.26 -3.50 113.62 119.01 1pn5 n SER 96 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pn5 n SER 96 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pn5 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pn5 n GLY 97 N 0.00 0.00 3.73 0.46 0.00 -1.26 -5.17 105.19 102.96 1pn5 n GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pn5 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn5 s GLU 98 N 0.00 1.48 0.07 1.61 2.02 -1.23 -5.07 118.70 117.59 1pn5 s GLU 98 Ca 0.00 0.86 0.05 0.00 0.02 0.00 0.00 54.97 55.90 1pn5 s GLU 98 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1pn5 s GLU 98 CO 0.00 -2.09 -0.07 0.99 0.02 0.00 0.00 175.26 174.11 1pn5 s THR 99 N -2.95 3.59 0.70 3.63 2.01 -1.26 -5.11 115.64 116.24 1pn5 s THR 99 Ca 0.63 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1pn5 s THR 99 Cb -0.17 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1pn5 s THR 99 CO 0.57 0.20 1.12 -2.16 -0.69 0.00 0.00 174.62 173.66 1pn5 s PRO 100 N -1.98 2.56 0.26 4.92 0.04 -1.26 -5.06 135.00 134.48 1pn5 s PRO 100 Ca 0.21 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1pn5 s PRO 100 Cb -0.11 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1pn5 s PRO 100 CO 0.13 -1.44 0.69 0.00 0.04 0.00 0.00 177.00 176.42 1pn5 s ALA 101 N -2.40 -1.24 0.04 8.56 0.00 -1.26 -5.20 121.76 120.27 1pn5 s ALA 101 Ca 0.67 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1pn5 s ALA 101 Cb -0.21 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1pn5 s ALA 101 CO 0.45 -0.98 -0.09 -0.65 0.00 0.00 0.00 175.76 174.49 1pn5 s GLN 102 N -3.89 0.58 0.72 0.00 1.11 -1.26 -5.16 119.66 111.75 1pn5 s GLN 102 Ca 0.10 -0.72 -0.11 0.00 0.01 0.00 0.00 55.36 54.64 1pn5 s GLN 102 Cb -0.05 -0.41 0.02 0.00 -1.01 0.00 0.00 33.01 31.56 1pn5 s GLN 102 CO 0.03 0.08 1.07 -1.25 0.01 0.00 0.00 175.29 175.24 1pn5 s PRO 103 N -1.42 2.72 -0.40 2.91 0.04 -1.26 -5.04 135.00 132.56 1pn5 s PRO 103 Ca -0.07 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.01 1pn5 s PRO 103 Cb -0.09 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.71 1pn5 s PRO 103 CO 0.01 -1.26 0.48 0.39 0.04 0.00 0.00 177.00 176.66 1pn5 n GLU 104 N -3.24 0.61 -3.63 4.56 1.02 -1.26 -5.11 120.64 113.60 1pn5 n GLU 104 Ca 0.08 -3.24 -0.04 0.00 -0.02 0.00 0.00 57.16 53.93 1pn5 n GLU 104 Cb 0.54 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1pn5 s LYS 105 N -0.89 0.59 -0.03 3.49 0.00 -1.26 -5.07 119.74 116.57 1pn5 s LYS 105 Ca 0.35 1.12 0.04 0.00 0.00 0.00 0.00 55.97 57.48 1pn5 s LYS 105 Cb 0.13 0.29 0.06 0.00 0.00 0.00 0.00 37.83 38.32 1pn5 s LYS 105 CO -0.13 -0.14 0.91 -2.37 0.00 0.00 0.00 175.35 173.62 1pn5 n THR 106 N 4.46 0.54 -3.97 3.79 5.66 -1.26 -4.82 114.28 118.68 1pn5 n THR 106 Ca -0.17 -0.62 -0.28 0.00 -3.05 0.00 0.00 64.05 59.92 1pn5 n THR 106 Cb 0.56 0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 69.77 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 -1.16 6.14 0.23 1.09 0.01 -1.26 -4.81 113.70 113.95 1pn5 s SER 107 Ca 0.07 0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 1pn5 s SER 107 Cb 0.06 -1.81 0.25 0.00 0.21 0.00 0.00 66.02 64.73 1pn5 s SER 107 CO 0.01 0.11 1.61 1.23 0.41 0.00 0.00 173.24 176.60 1pn5 h GLY 108 N 2.64 0.55 1.76 3.44 0.00 -1.88 -1.02 103.07 108.56 1pn5 h GLY 108 Ca -0.47 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1pn5 h GLY 108 CO 0.70 0.49 0.00 1.15 0.00 0.00 0.00 176.54 178.88 1pn5 n MET 109 N -4.02 0.10 -0.09 4.80 -0.00 -1.26 -2.30 117.12 114.35 1pn5 n MET 109 Ca -0.02 0.22 -0.10 0.00 -0.00 0.00 0.00 57.70 57.81 1pn5 n MET 109 Cb 0.51 -1.50 -0.16 0.00 -0.00 0.00 0.00 33.22 32.08 1pn5 n MET 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1pn5 n GLU 110 N -1.38 0.68 0.19 3.17 4.07 -0.57 -4.04 120.64 122.77 1pn5 n GLU 110 Ca 0.05 0.02 0.04 0.00 -0.06 0.00 0.00 57.16 57.21 1pn5 n GLU 110 Cb 0.12 -1.55 0.36 0.00 -0.06 0.00 0.00 31.44 30.32 1pn5 n GLU 110 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1pn5 h VAL 111 N 0.00 1.05 -0.07 6.31 -1.51 -1.05 -3.29 116.25 117.70 1pn5 h VAL 111 Ca -0.52 -1.43 0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1pn5 h VAL 111 Cb 2.22 1.83 -0.05 0.00 -2.13 0.00 0.00 31.29 33.15 1pn5 h VAL 111 CO 0.03 0.38 -0.49 0.00 -1.23 0.00 0.00 177.57 176.26 1pn5 h ALA 112 N 1.61 -0.88 -0.41 5.19 0.00 -1.60 0.18 119.26 123.35 1pn5 h ALA 112 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 112 Cb 0.79 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1pn5 h ALA 112 CO 0.05 -1.04 0.29 0.66 0.00 0.00 0.00 179.25 179.21 1pn5 h SER 113 N -0.56 0.13 -0.44 0.00 4.64 -1.73 -2.20 113.55 113.38 1pn5 h SER 113 Ca 0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 1pn5 h SER 113 Cb 0.63 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1pn5 h SER 113 CO -0.36 0.08 -0.30 0.22 -0.87 0.00 0.00 176.83 175.60 1pn5 h TYR 114 N 0.14 1.15 -0.33 4.77 3.20 -1.24 -0.60 116.97 124.06 1pn5 h TYR 114 Ca 0.19 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 1pn5 h TYR 114 Cb 0.58 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1pn5 h TYR 114 CO -0.00 1.14 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.57 1pn5 h LEU 115 N 0.82 0.59 -1.13 2.82 3.38 -0.39 -0.15 115.31 121.24 1pn5 h LEU 115 Ca 0.09 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1pn5 h LEU 115 Cb 0.89 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1pn5 h LEU 115 CO 0.08 0.77 -0.33 0.58 0.09 0.00 0.00 178.44 179.63 1pn5 h VAL 116 N 0.39 1.27 -0.55 1.22 2.07 -1.52 0.33 116.25 119.46 1pn5 h VAL 116 Ca 0.09 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1pn5 h VAL 116 Cb 0.48 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1pn5 h VAL 116 CO 0.02 0.38 0.08 0.00 0.02 0.00 0.00 177.57 178.07 1pn5 h ALA 117 N 1.50 1.12 0.22 1.67 0.00 -0.55 0.65 119.26 123.88 1pn5 h ALA 117 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1pn5 h ALA 117 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pn5 h ALA 117 CO 0.05 0.58 -0.11 1.96 0.00 0.00 0.00 179.25 181.73 1pn5 h GLN 118 N 0.83 -0.29 0.00 0.00 1.08 -0.72 -3.43 115.11 112.58 1pn5 h GLN 118 Ca 0.17 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1pn5 h GLN 118 Cb 0.37 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1pn5 h GLN 118 CO 0.01 -0.07 0.00 0.66 -0.95 0.00 0.00 178.83 178.48 1pn5 n TYR 119 N -4.97 0.00 0.00 2.96 4.01 0.08 -5.03 117.16 114.20 1pn5 n TYR 119 Ca -0.05 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1pn5 n TYR 119 Cb 0.18 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.22 1.42 0.64 2.72 0.00 0.22 -3.57 105.19 106.40 1pn5 n GLY 120 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 1.61 1.02 -1.26 -3.69 120.64 118.32 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 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.79 0.00 0.27 3.49 1.13 -1.24 -1.63 117.38 116.61 1pn5 n GLN 122 Ca 0.00 0.13 0.18 0.00 -1.94 0.00 0.00 57.00 55.37 1pn5 n GLN 122 Cb 0.48 -0.86 0.76 0.00 0.11 0.00 0.00 30.24 30.73 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 -1.92 0.21 114.38 111.58 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 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.97 1pn5 h ALA 124 N 2.03 1.00 0.00 0.04 0.00 -1.56 -2.00 119.26 118.78 1pn5 h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pn5 h ALA 124 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pn5 h ALA 124 CO 0.00 0.00 -0.51 1.87 0.00 0.00 0.00 179.25 180.61 1pn5 n TRP 125 N -2.69 -0.01 -0.34 0.00 -0.00 -0.65 -4.39 117.44 109.36 1pn5 n TRP 125 Ca -0.01 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 57.72 1pn5 n TRP 125 Cb 0.15 0.00 0.48 0.00 -0.00 0.00 0.00 31.31 31.94 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 0.50 0.00 5.87 1.82 -0.65 0.39 116.42 124.35 1pn5 h ASP 126 Ca 0.00 0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1pn5 h ASP 126 Cb 0.51 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 1pn5 h ASP 126 CO 0.00 0.06 -0.05 0.25 -1.61 0.00 0.00 179.24 177.89 1pn5 h LEU 127 N 0.42 0.00 -1.52 2.28 5.85 -1.55 -3.38 115.31 117.40 1pn5 h LEU 127 Ca 0.63 -0.37 0.25 0.00 0.84 0.00 0.00 57.88 59.23 1pn5 h LEU 127 Cb 1.52 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 1pn5 h LEU 127 CO -0.37 0.71 0.65 0.00 -0.34 0.00 0.00 178.44 179.10 1pn5 h ALA 128 N -0.63 2.34 -0.98 1.25 0.00 -1.15 -0.80 119.26 119.29 1pn5 h ALA 128 Ca -0.01 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1pn5 h ALA 128 Cb 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1pn5 h ALA 128 CO -0.00 -0.68 0.61 -0.07 0.00 0.00 0.00 179.25 179.11 1pn5 h LEU 129 N 0.34 0.75 -1.53 0.00 -0.00 -0.47 -1.17 115.31 113.24 1pn5 h LEU 129 Ca 0.53 0.07 0.18 0.00 -0.00 0.00 0.00 57.88 58.66 1pn5 h LEU 129 Cb 1.45 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.98 1pn5 h LEU 129 CO -0.20 0.32 0.56 -0.74 -0.00 0.00 0.00 178.44 178.38 1pn5 h HIS 130 N 0.76 0.53 0.00 1.13 2.76 -1.34 -1.57 115.15 117.42 1pn5 h HIS 130 Ca 0.53 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1pn5 h HIS 130 Cb 0.82 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1pn5 h HIS 130 CO -0.00 0.17 0.00 2.41 -1.30 0.00 0.00 177.93 179.21 1pn5 n THR 131 N -4.50 1.04 0.34 6.26 -1.04 -0.44 -0.31 114.28 115.64 1pn5 n THR 131 Ca 0.17 0.34 0.13 0.00 -2.04 0.00 0.00 64.05 62.65 1pn5 n THR 131 Cb 0.62 -1.23 0.29 0.00 -1.82 0.00 0.00 70.33 68.18 1pn5 n THR 131 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1pn5 h TRP 132 N 0.00 0.00 0.66 -1.42 -0.00 -1.45 -0.08 115.95 113.66 1pn5 h TRP 132 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 1pn5 h TRP 132 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.40 1pn5 h TRP 132 CO 0.00 0.00 -0.32 1.49 -0.00 0.00 0.00 178.44 179.61 1pn5 h GLU 133 N 0.00 -0.85 -0.05 0.49 4.81 -0.80 -1.60 114.58 116.57 1pn5 h GLU 133 Ca 0.00 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1pn5 h GLU 133 Cb 0.87 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1pn5 h GLU 133 CO 0.00 -0.54 -0.04 1.96 -0.73 0.00 0.00 179.01 179.66 1pn5 h GLN 134 N -0.99 -0.04 0.00 1.92 1.08 -1.40 -2.60 115.11 113.09 1pn5 h GLN 134 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1pn5 h GLN 134 Cb 0.71 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1pn5 h GLN 134 CO 0.15 -0.02 -0.26 -1.33 -0.95 0.00 0.00 178.83 176.41 1pn5 n MET 135 N -5.15 0.13 -1.00 1.46 2.81 -0.07 -4.96 117.12 110.34 1pn5 n MET 135 Ca -0.05 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1pn5 n MET 135 Cb 0.08 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 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 1.42 0.61 3.58 3.03 0.00 -0.62 -4.95 105.19 108.26 1pn5 n GLY 136 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.76 0.19 0.99 2.01 -1.11 -4.77 118.68 119.75 1pn5 s LEU 137 Ca 0.00 -2.31 -0.12 0.00 0.01 0.00 0.00 54.13 51.70 1pn5 s LEU 137 Cb 0.00 -2.58 0.19 0.00 0.01 0.00 0.00 46.19 43.81 1pn5 s LEU 137 CO 0.00 -1.32 1.75 -0.09 1.01 0.00 0.00 176.35 177.70 1pn5 h ARG 138 N 7.90 0.36 -0.54 1.70 2.43 -1.93 -2.23 114.38 122.08 1pn5 h ARG 138 Ca 0.41 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.66 1pn5 h ARG 138 Cb 0.89 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.25 1pn5 h ARG 138 CO 1.44 0.24 -0.30 0.66 -1.51 0.00 0.00 179.97 180.50 1pn5 h SER 139 N 0.37 -1.02 -0.45 -3.80 4.64 -1.98 0.20 113.55 111.52 1pn5 h SER 139 Ca 0.25 0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 1pn5 h SER 139 Cb 0.27 0.52 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1pn5 h SER 139 CO -0.25 -0.29 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.13 1pn5 h LEU 140 N -0.16 0.96 -0.60 5.97 3.38 -1.82 0.38 115.31 123.42 1pn5 h LEU 140 Ca 0.23 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pn5 h LEU 140 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1pn5 h LEU 140 CO -0.63 1.15 0.37 0.00 0.09 0.00 0.00 178.44 179.42 1pn5 h ALA 142 N 1.19 -0.87 -0.39 0.00 0.00 -0.13 -2.99 119.26 116.07 1pn5 h ALA 142 Ca 0.22 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1pn5 h ALA 142 Cb -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pn5 h ALA 142 CO -0.04 -0.83 0.41 1.96 0.00 0.00 0.00 179.25 180.75 1pn5 h GLN 143 N -0.81 0.00 0.00 0.00 7.50 -0.32 0.35 115.11 121.83 1pn5 h GLN 143 Ca -0.06 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 1pn5 h GLN 143 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1pn5 h GLN 143 CO 0.10 0.00 -0.17 0.00 -1.50 0.00 0.00 178.83 177.26 1pn5 h ALA 144 N 1.55 1.08 0.00 3.87 0.00 -1.07 -3.25 119.26 121.44 1pn5 h ALA 144 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 144 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pn5 h ALA 144 CO -0.00 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.51 1pn5 n GLN 145 N -3.41 0.00 -0.73 0.00 6.02 0.89 -4.80 117.38 115.35 1pn5 n GLN 145 Ca -0.00 -0.37 0.08 0.00 -0.01 0.00 0.00 57.00 56.70 1pn5 n GLN 145 Cb 0.37 -0.43 0.36 0.00 1.02 0.00 0.00 30.24 31.55 1pn5 n GLN 145 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1pn5 n GLU 146 N 0.00 4.19 -2.35 -1.09 0.28 0.69 -4.87 120.64 117.49 1pn5 n GLU 146 Ca 0.00 -3.03 -0.13 0.00 -0.16 0.00 0.00 57.16 53.83 1pn5 n GLU 146 Cb 0.46 -2.09 -0.00 0.00 1.43 0.00 0.00 31.44 31.24 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pn5 n GLY 147 N 0.33 -0.16 3.08 -1.84 0.00 -1.26 -1.63 105.19 103.71 1pn5 n GLY 147 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.89 0.00 -1.37 4.61 0.00 -1.22 -3.28 120.51 117.36 1pn5 n ALA 148 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1pn5 n ALA 148 Cb 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.01 0.25 0.00 0.00 0.00 -0.65 -4.92 105.19 99.88 1pn5 n GLY 149 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.10 0.00 0.52 1.61 -0.00 -1.21 -5.18 115.22 109.87 1pn5 n HIS 150 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1pn5 n HIS 150 Cb 0.46 0.00 0.25 0.00 -0.12 0.00 0.00 29.99 30.58 1pn5 n HIS 150 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67