#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 n ALA 60 N 0.00 -2.08 -0.76 3.17 0.00 -1.26 -4.75 120.51 114.83 1pn5 n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pn5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 61 N 0.12 0.01 0.09 0.00 0.00 -1.26 -4.67 105.19 99.48 1pn5 n GLY 61 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.10 -6.90 -0.02 0.00 -1.99 -3.39 103.07 90.67 1pn5 h GLY 62 Ca 0.00 0.04 -0.68 0.00 0.00 0.00 0.00 47.33 46.69 1pn5 h GLY 62 CO 0.00 -0.04 2.59 0.00 0.00 0.00 0.00 176.54 179.09 1pn5 n ALA 63 N -2.66 4.38 -2.96 3.60 0.00 -1.26 -4.81 120.51 116.80 1pn5 n ALA 63 Ca -0.06 -3.79 -0.10 0.00 0.00 0.00 0.00 53.44 49.49 1pn5 n ALA 63 Cb 0.24 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.05 1pn5 n ALA 63 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pn5 s TRP 64 N 4.12 0.45 0.00 0.00 0.52 -1.26 -4.66 118.94 118.11 1pn5 s TRP 64 Ca 0.52 -0.79 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1pn5 s TRP 64 Cb 0.09 0.05 0.00 0.00 -1.15 0.00 0.00 33.47 32.46 1pn5 s TRP 64 CO 0.01 -0.88 0.00 0.41 0.02 0.00 0.00 176.95 176.50 1pn5 n GLY 65 N -0.33 1.52 0.44 0.98 0.00 -1.26 -3.61 105.19 102.93 1pn5 n GLY 65 Ca -0.03 0.21 0.25 0.00 0.00 0.00 0.00 46.02 46.45 1pn5 n GLY 65 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pn5 h ARG 66 N 0.00 0.00 0.45 1.61 0.11 -1.94 -1.77 114.38 112.84 1pn5 h ARG 66 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1pn5 h ARG 66 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1pn5 h ARG 66 CO 0.00 0.00 -0.21 1.25 0.10 0.00 0.00 179.97 181.11 1pn5 h LEU 67 N 0.00 -0.51 -1.90 0.08 7.12 -1.83 -3.24 115.31 115.04 1pn5 h LEU 67 Ca 0.32 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.33 1pn5 h LEU 67 Cb 1.54 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.80 1pn5 h LEU 67 CO -0.00 -0.23 -0.12 0.00 -0.13 0.00 0.00 178.44 177.96 1pn5 h ALA 68 N -1.45 1.30 0.00 1.25 0.00 -1.72 -3.18 119.26 115.45 1pn5 h ALA 68 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pn5 h ALA 68 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pn5 h ALA 68 CO 0.10 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1pn5 n TYR 70 N -1.54 0.00 0.90 0.00 4.02 -1.20 -4.61 117.16 114.72 1pn5 n TYR 70 Ca -0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1pn5 n TYR 70 Cb 0.00 -0.28 0.24 0.00 -0.02 0.00 0.00 39.34 39.29 1pn5 n TYR 70 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pn5 n LEU 71 N -2.78 0.00 -0.00 7.72 4.32 -0.72 -1.59 117.00 123.95 1pn5 n LEU 71 Ca -0.13 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 55.93 1pn5 n LEU 71 Cb 0.64 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.33 1pn5 n LEU 71 CO 0.07 0.00 -0.47 -1.84 -1.22 0.00 0.00 177.39 173.93 1pn5 n GLU 72 N -0.79 1.04 -0.05 3.23 -0.00 -0.77 -4.20 120.64 119.10 1pn5 n GLU 72 Ca 0.06 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.16 57.02 1pn5 n GLU 72 Cb 0.03 -1.29 -0.05 0.00 -0.00 0.00 0.00 31.44 30.13 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1pn5 h PHE 73 N 0.00 0.30 -2.24 -1.84 -5.15 -1.57 -3.45 116.94 103.00 1pn5 h PHE 73 Ca 0.00 -0.03 -0.46 0.00 -0.20 0.00 0.00 57.97 57.28 1pn5 h PHE 73 Cb 0.56 -0.09 -0.01 0.00 0.22 0.00 0.00 35.95 36.64 1pn5 h PHE 73 CO 0.00 0.41 -0.39 -0.48 -2.00 0.00 0.00 178.31 175.84 1pn5 s LEU 74 N -9.71 4.25 0.00 2.10 2.34 -1.26 -5.13 118.68 111.27 1pn5 s LEU 74 Ca -0.14 0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1pn5 s LEU 74 Cb 0.07 -2.91 0.00 0.00 -0.56 0.00 0.00 46.19 42.79 1pn5 s LEU 74 CO 0.71 -0.13 0.00 1.17 -1.06 0.00 0.00 176.35 177.04 1pn5 n LYS 75 N -1.48 0.81 0.22 1.48 4.81 -1.26 -4.79 118.16 117.95 1pn5 n LYS 75 Ca -0.08 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.47 1pn5 n LYS 75 Cb 0.57 0.00 0.57 0.00 0.02 0.00 0.00 35.03 36.19 1pn5 n LYS 75 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1pn5 h LYS 76 N 0.00 0.00 0.11 1.64 6.56 -1.94 0.18 116.57 123.12 1pn5 h LYS 76 Ca 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1pn5 h LYS 76 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.61 1pn5 h LYS 76 CO 0.00 0.00 -0.46 0.93 -2.06 0.00 0.00 179.45 177.86 1pn5 h GLU 77 N 0.00 -0.66 0.00 3.15 4.39 -2.01 -3.33 114.58 116.12 1pn5 h GLU 77 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1pn5 h GLU 77 Cb 0.44 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1pn5 h GLU 77 CO 0.00 -0.44 -0.72 0.39 -1.16 0.00 0.00 179.01 177.08 1pn5 n GLU 78 N -5.47 1.82 0.00 2.33 1.02 -0.51 -4.56 120.64 115.26 1pn5 n GLU 78 Ca -0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1pn5 n GLU 78 Cb 0.39 -0.86 0.30 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.48 -0.57 -4.62 5.85 -0.92 -1.00 115.31 114.54 1pn5 h LEU 79 Ca 0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1pn5 h LEU 79 Cb 0.08 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1pn5 h LEU 79 CO 0.00 0.56 0.33 0.50 -0.34 0.00 0.00 178.44 179.48 1pn5 h LYS 80 N 0.50 0.62 -0.35 1.25 3.11 -1.71 -2.00 116.57 117.98 1pn5 h LYS 80 Ca 0.11 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 1pn5 h LYS 80 Cb 0.33 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1pn5 h LYS 80 CO 0.01 0.41 -0.01 0.93 -2.81 0.00 0.00 179.45 177.98 1pn5 h GLU 81 N 0.64 0.55 0.07 1.90 5.08 -1.49 -1.19 114.58 120.14 1pn5 h GLU 81 Ca 0.24 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1pn5 h GLU 81 Cb 0.07 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1pn5 h GLU 81 CO -0.12 0.58 -0.49 0.35 -1.00 0.00 0.00 179.01 178.33 1pn5 h PHE 82 N 0.53 -1.43 0.00 4.33 3.04 -0.52 0.24 116.94 123.13 1pn5 h PHE 82 Ca 0.11 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.07 1pn5 h PHE 82 Cb 0.35 0.61 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1pn5 h PHE 82 CO 0.01 -0.54 -0.18 -0.56 -2.02 0.00 0.00 178.31 175.03 1pn5 h GLN 83 N -0.66 0.00 0.09 1.11 3.07 -1.17 -1.78 115.11 115.77 1pn5 h GLN 83 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pn5 h GLN 83 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.24 1pn5 h GLN 83 CO -0.29 0.18 -0.04 1.25 0.09 0.00 0.00 178.83 180.01 1pn5 h LEU 84 N 0.00 -0.11 -0.74 0.06 6.46 -0.80 -3.23 115.31 116.95 1pn5 h LEU 84 Ca -0.00 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.87 1pn5 h LEU 84 Cb 0.45 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.32 1pn5 h LEU 84 CO 0.02 0.18 0.35 -0.07 -0.62 0.00 0.00 178.44 178.31 1pn5 h LEU 85 N -0.64 0.43 -0.12 2.25 3.38 -0.57 -0.54 115.31 119.51 1pn5 h LEU 85 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pn5 h LEU 85 Cb 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pn5 h LEU 85 CO 0.02 0.22 0.06 0.25 0.09 0.00 0.00 178.44 179.09 1pn5 h LEU 86 N 0.57 0.14 -1.70 1.67 6.46 -1.49 0.11 115.31 121.06 1pn5 h LEU 86 Ca 0.38 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 58.02 1pn5 h LEU 86 Cb 0.46 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1pn5 h LEU 86 CO -0.31 0.18 -0.17 0.00 -0.62 0.00 0.00 178.44 177.51 1pn5 h ALA 87 N 0.97 1.58 -0.09 1.25 0.00 -1.40 0.16 119.26 121.73 1pn5 h ALA 87 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1pn5 h ALA 87 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pn5 h ALA 87 CO -0.01 0.22 -0.66 -0.97 0.00 0.00 0.00 179.25 177.83 1pn5 h ASN 88 N 0.00 0.44 0.00 0.00 -1.24 -0.10 -3.30 115.58 111.39 1pn5 h ASN 88 Ca -0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1pn5 h ASN 88 Cb 0.33 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1pn5 h ASN 88 CO 0.02 0.98 0.00 0.29 -1.29 0.00 0.00 177.43 177.43 1pn5 n LYS 89 N -3.87 0.00 0.00 6.67 4.01 0.27 -5.03 118.16 120.22 1pn5 n LYS 89 Ca -0.04 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1pn5 n LYS 89 Cb 0.66 -1.01 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 1pn5 n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pn5 n ALA 90 N -1.14 0.00 -2.00 7.82 0.00 0.53 -4.79 120.51 120.92 1pn5 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.43 0.00 -2.90 0.00 1.44 -1.26 -5.08 115.22 106.99 1pn5 n HIS 91 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1pn5 n HIS 91 Cb 0.00 0.09 0.07 0.00 0.12 0.00 0.00 29.99 30.27 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 0.00 1.66 -3.65 4.39 2.88 -1.26 -5.16 113.62 112.48 1pn5 n SER 92 Ca 0.00 -2.25 -0.09 0.00 -1.33 0.00 0.00 58.87 55.19 1pn5 n SER 92 Cb 0.61 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.61 1pn5 n SER 92 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1pn5 s ARG 93 N -4.46 1.52 0.88 -1.46 3.52 -1.26 -5.17 118.95 112.53 1pn5 s ARG 93 Ca 0.55 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1pn5 s ARG 93 Cb -0.04 0.59 0.00 0.00 -1.56 0.00 0.00 34.95 33.94 1pn5 s ARG 93 CO 0.35 -0.69 0.00 0.43 -0.81 0.00 0.00 175.30 174.59 1pn5 n SER 94 N -0.42 -7.24 -0.40 -2.12 7.64 -1.26 -5.09 113.62 104.73 1pn5 n SER 94 Ca -0.10 0.94 0.05 0.00 1.01 0.00 0.00 58.87 60.77 1pn5 n SER 94 Cb 0.62 -2.67 -0.01 0.00 -1.01 0.00 0.00 64.21 61.14 1pn5 n SER 94 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pn5 n SER 95 N -3.86 -2.36 -4.18 6.43 7.64 -1.26 -5.03 113.62 111.00 1pn5 n SER 95 Ca 0.01 0.36 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 1pn5 n SER 95 Cb 0.40 -1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 1pn5 n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pn5 s SER 96 N -3.61 1.33 -0.45 6.43 1.04 -1.26 -5.10 113.70 112.08 1pn5 s SER 96 Ca 0.00 -0.96 0.07 0.00 0.48 0.00 0.00 55.95 55.54 1pn5 s SER 96 Cb 0.00 0.06 0.23 0.00 0.10 0.00 0.00 66.02 66.40 1pn5 s SER 96 CO 0.00 -0.39 0.67 0.61 0.98 0.00 0.00 173.24 175.11 1pn5 n GLY 97 N 0.07 1.25 3.67 7.32 0.00 -1.26 -5.11 105.19 111.13 1pn5 n GLY 97 Ca -0.13 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.06 4.16 0.56 1.61 2.02 -1.26 -4.47 118.70 121.26 1pn5 s GLU 98 Ca 0.33 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.78 1pn5 s GLU 98 Cb 0.16 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1pn5 s GLU 98 CO -0.17 -0.89 0.00 2.41 0.02 0.00 0.00 175.26 176.64 1pn5 n THR 99 N 5.34 -4.98 -2.33 3.63 -1.04 -1.26 -4.99 114.28 108.66 1pn5 n THR 99 Ca 0.18 2.31 -0.32 0.00 -2.04 0.00 0.00 64.05 64.18 1pn5 n THR 99 Cb 0.41 -3.26 -0.02 0.00 -1.82 0.00 0.00 70.33 65.63 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 -3.90 3.80 -0.41 -2.82 0.04 -1.26 -5.03 135.00 125.41 1pn5 s PRO 100 Ca 0.00 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.15 1pn5 s PRO 100 Cb 0.00 -2.11 0.25 0.00 0.04 0.00 0.00 34.50 32.68 1pn5 s PRO 100 CO 0.00 -0.40 0.60 0.00 0.04 0.00 0.00 177.00 177.24 1pn5 n ALA 101 N -1.65 1.54 -1.66 8.56 0.00 -1.26 -5.13 120.51 120.92 1pn5 n ALA 101 Ca 0.07 -2.93 -0.35 0.00 0.00 0.00 0.00 53.44 50.23 1pn5 n ALA 101 Cb 0.54 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 2.80 0.52 0.00 0.00 -1.26 -5.05 119.66 115.95 1pn5 s GLN 102 Ca 0.34 1.77 -0.07 0.00 -0.00 0.00 0.00 55.36 57.40 1pn5 s GLN 102 Cb 0.18 -1.91 0.12 0.00 0.00 0.00 0.00 33.01 31.39 1pn5 s GLN 102 CO -0.14 -1.32 0.71 -0.35 0.00 0.00 0.00 175.29 174.18 1pn5 n PRO 103 N -1.88 -0.52 -0.47 9.60 -0.04 -1.26 -5.00 135.00 135.44 1pn5 n PRO 103 Ca 0.13 -1.25 0.07 0.00 -0.04 0.00 0.00 63.50 62.42 1pn5 n PRO 103 Cb 0.50 -0.69 0.27 0.00 -0.04 0.00 0.00 33.50 33.55 1pn5 n PRO 103 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pn5 n GLU 104 N -2.47 3.06 -3.35 0.54 0.28 -1.26 -4.92 120.64 112.51 1pn5 n GLU 104 Ca 0.09 -2.17 -0.41 0.00 -0.16 0.00 0.00 57.16 54.51 1pn5 n GLU 104 Cb 0.33 -1.73 -0.09 0.00 1.43 0.00 0.00 31.44 31.38 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1pn5 s LYS 105 N -1.75 3.45 0.00 3.44 3.01 -1.26 -4.87 119.74 121.75 1pn5 s LYS 105 Ca 0.39 -0.47 0.00 0.00 -1.01 0.00 0.00 55.97 54.88 1pn5 s LYS 105 Cb 0.25 -3.85 0.00 0.00 -1.01 0.00 0.00 37.83 33.22 1pn5 s LYS 105 CO 0.19 -0.63 0.47 -2.37 0.51 0.00 0.00 175.35 173.52 1pn5 n THR 106 N 5.33 0.00 -4.47 2.17 5.66 -1.26 -4.67 114.28 117.04 1pn5 n THR 106 Ca -0.08 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.68 1pn5 n THR 106 Cb 0.49 0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.21 3.60 0.07 1.09 0.01 -1.26 -4.94 113.70 112.06 1pn5 s SER 107 Ca 0.00 -1.03 -0.13 0.00 1.31 0.00 0.00 55.95 56.10 1pn5 s SER 107 Cb 0.00 -0.31 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1pn5 s SER 107 CO 0.00 0.04 0.74 0.61 0.41 0.00 0.00 173.24 175.04 1pn5 n GLY 108 N -0.63 -1.39 0.05 3.44 0.00 -1.26 -0.64 105.19 104.77 1pn5 n GLY 108 Ca -0.05 0.55 0.12 0.00 0.00 0.00 0.00 46.02 46.64 1pn5 n GLY 108 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pn5 n MET 109 N -4.25 0.25 -0.08 1.61 -0.00 -1.26 -3.94 117.12 109.45 1pn5 n MET 109 Ca 0.01 0.07 -0.22 0.00 -0.00 0.00 0.00 57.70 57.56 1pn5 n MET 109 Cb 0.11 -1.66 -0.12 0.00 -0.00 0.00 0.00 33.22 31.55 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 -2.01 0.61 -0.34 3.17 2.13 0.19 -3.21 120.64 121.17 1pn5 n GLU 110 Ca 0.04 0.51 0.10 0.00 0.66 0.00 0.00 57.16 58.47 1pn5 n GLU 110 Cb 0.42 -1.74 0.30 0.00 0.27 0.00 0.00 31.44 30.69 1pn5 n GLU 110 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1pn5 h VAL 111 N -0.77 0.83 0.38 6.31 2.07 -1.35 -1.62 116.25 122.11 1pn5 h VAL 111 Ca -0.37 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1pn5 h VAL 111 Cb 1.47 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1pn5 h VAL 111 CO -0.15 0.16 -0.41 0.00 0.02 0.00 0.00 177.57 177.18 1pn5 h ALA 112 N 1.58 -1.07 0.00 1.67 0.00 -1.68 0.25 119.26 120.01 1pn5 h ALA 112 Ca 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1pn5 h ALA 112 Cb 0.68 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1pn5 h ALA 112 CO -0.29 -1.10 -0.06 1.03 0.00 0.00 0.00 179.25 178.83 1pn5 h SER 113 N -0.80 0.00 -0.09 0.00 0.87 -1.44 -0.33 113.55 111.76 1pn5 h SER 113 Ca -0.05 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1pn5 h SER 113 Cb 0.70 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1pn5 h SER 113 CO -0.07 0.06 -0.05 0.22 -0.53 0.00 0.00 176.83 176.47 1pn5 h TYR 114 N 0.00 0.21 -0.43 2.24 3.20 -0.95 -3.14 116.97 118.10 1pn5 h TYR 114 Ca -0.00 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1pn5 h TYR 114 Cb 0.20 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1pn5 h TYR 114 CO 0.00 0.55 0.07 1.25 -1.64 0.00 0.00 178.16 178.40 1pn5 h LEU 115 N -0.19 0.68 -1.59 2.82 5.85 0.72 -0.36 115.31 123.24 1pn5 h LEU 115 Ca 0.02 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1pn5 h LEU 115 Cb 0.50 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1pn5 h LEU 115 CO 0.01 0.76 -0.21 0.58 -0.34 0.00 0.00 178.44 179.24 1pn5 h VAL 116 N 0.56 1.09 -0.00 1.05 2.07 -1.43 -1.06 116.25 118.53 1pn5 h VAL 116 Ca 0.13 -0.75 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 1pn5 h VAL 116 Cb 0.37 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1pn5 h VAL 116 CO 0.01 0.21 -0.79 0.00 0.02 0.00 0.00 177.57 177.01 1pn5 h ALA 117 N 1.79 0.68 0.07 1.67 0.00 -1.29 0.12 119.26 122.29 1pn5 h ALA 117 Ca -0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1pn5 h ALA 117 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pn5 h ALA 117 CO 0.03 0.95 -0.03 1.96 0.00 0.00 0.00 179.25 182.16 1pn5 h GLN 118 N 0.03 -0.09 0.00 0.00 1.08 -0.30 -3.41 115.11 112.42 1pn5 h GLN 118 Ca -0.02 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1pn5 h GLN 118 Cb 1.40 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1pn5 h GLN 118 CO 0.11 0.21 -1.15 0.66 -0.95 0.00 0.00 178.83 177.70 1pn5 n TYR 119 N -4.99 0.00 -0.06 2.96 4.01 -0.48 -5.06 117.16 113.54 1pn5 n TYR 119 Ca -0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1pn5 n TYR 119 Cb 0.18 -0.09 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 2.46 -1.68 0.34 2.72 0.00 0.43 -4.34 105.19 105.13 1pn5 n GLY 120 Ca -0.02 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1pn5 n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pn5 h GLU 121 N -0.06 0.57 0.00 1.61 5.08 -1.90 -2.64 114.58 117.24 1pn5 h GLU 121 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pn5 h GLU 121 Cb 0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1pn5 h GLU 121 CO 0.00 0.38 0.00 1.04 -1.00 0.00 0.00 179.01 179.43 1pn5 n GLN 122 N -4.48 0.00 0.29 2.33 1.13 -1.26 -3.19 117.38 112.20 1pn5 n GLN 122 Ca 0.09 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.32 1pn5 n GLN 122 Cb 0.26 -0.77 0.87 0.00 0.11 0.00 0.00 30.24 30.70 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 -1.76 0.26 114.38 111.79 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 0.05 0.00 0.00 0.00 0.00 0.00 179.97 180.02 1pn5 h ALA 124 N 1.95 1.00 0.00 0.04 0.00 -1.56 -1.89 119.26 118.80 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 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pn5 h ALA 124 CO 0.01 0.00 -1.01 1.87 0.00 0.00 0.00 179.25 180.12 1pn5 n TRP 125 N -2.90 0.00 0.31 0.00 -0.00 -0.37 -4.36 117.44 110.13 1pn5 n TRP 125 Ca -0.02 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.67 1pn5 n TRP 125 Cb 0.08 -0.01 1.05 0.00 -0.00 0.00 0.00 31.31 32.44 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 0.00 0.06 5.87 3.58 -0.61 0.20 116.42 125.52 1pn5 h ASP 126 Ca -0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.07 1pn5 h ASP 126 Cb 1.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.01 1pn5 h ASP 126 CO -0.00 0.00 -2.18 -0.11 -2.88 0.00 0.00 179.24 174.07 1pn5 n LEU 127 N -3.45 2.69 -0.30 2.28 7.94 -0.71 -3.84 117.00 121.60 1pn5 n LEU 127 Ca -0.03 0.09 0.12 0.00 -1.11 0.00 0.00 56.01 55.08 1pn5 n LEU 127 Cb 0.10 -1.01 0.26 0.00 0.53 0.00 0.00 43.42 43.31 1pn5 n LEU 127 CO 0.23 0.84 0.90 0.00 -1.11 0.00 0.00 177.39 178.25 1pn5 h ALA 128 N -0.06 1.17 -0.06 1.96 0.00 -1.28 0.57 119.26 121.56 1pn5 h ALA 128 Ca -0.50 0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1pn5 h ALA 128 Cb 1.91 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.07 1pn5 h ALA 128 CO -0.03 -0.48 -0.70 -0.07 0.00 0.00 0.00 179.25 177.97 1pn5 h LEU 129 N 0.15 0.32 -0.09 0.00 3.38 -0.84 -0.82 115.31 117.41 1pn5 h LEU 129 Ca 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1pn5 h LEU 129 Cb 1.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1pn5 h LEU 129 CO -0.70 0.92 0.04 -0.74 0.09 0.00 0.00 178.44 178.05 1pn5 h HIS 130 N 0.19 0.08 -0.22 1.13 2.76 -1.39 -2.67 115.15 115.02 1pn5 h HIS 130 Ca -0.02 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1pn5 h HIS 130 Cb 1.25 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1pn5 h HIS 130 CO 0.03 0.05 0.22 1.15 -1.30 0.00 0.00 177.93 178.08 1pn5 h THR 131 N 0.09 0.52 0.00 6.26 2.02 -0.20 -1.06 112.91 120.55 1pn5 h THR 131 Ca 0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1pn5 h THR 131 Cb 0.01 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1pn5 h THR 131 CO -0.02 0.00 -0.34 -0.50 0.37 0.00 0.00 175.52 175.03 1pn5 h TRP 132 N 0.00 0.00 0.00 3.16 -0.00 -0.83 -3.11 115.95 115.17 1pn5 h TRP 132 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1pn5 h TRP 132 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.70 1pn5 h TRP 132 CO 0.00 0.34 -0.16 1.49 -0.00 0.00 0.00 178.44 180.10 1pn5 h GLU 133 N 0.00 0.00 0.16 0.49 4.81 -1.04 -2.77 114.58 116.22 1pn5 h GLU 133 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1pn5 h GLU 133 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1pn5 h GLU 133 CO 0.04 0.16 -0.08 1.96 -0.73 0.00 0.00 179.01 180.37 1pn5 h GLN 134 N 0.00 -0.20 -0.15 1.92 4.20 -1.66 -3.38 115.11 115.83 1pn5 h GLN 134 Ca -0.00 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1pn5 h GLN 134 Cb 0.40 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1pn5 h GLN 134 CO 0.02 -0.14 0.19 0.52 -0.67 0.00 0.00 178.83 178.76 1pn5 h MET 135 N -0.53 0.00 0.00 1.46 2.86 -1.56 -3.45 114.93 113.72 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 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1pn5 h MET 135 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1pn5 n GLY 136 N -1.37 0.69 2.93 8.32 0.00 -1.06 -4.96 105.19 109.75 1pn5 n GLY 136 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 6.23 -0.20 0.99 7.99 -1.26 -4.71 117.00 126.04 1pn5 n LEU 137 Ca 0.00 -3.99 -0.01 0.00 -0.01 0.00 0.00 56.01 52.00 1pn5 n LEU 137 Cb 0.00 -1.64 0.20 0.00 -0.11 0.00 0.00 43.42 41.88 1pn5 n LEU 137 CO 0.00 0.76 1.13 -0.09 -1.51 0.00 0.00 177.39 177.68 1pn5 h ARG 138 N 6.51 0.96 -0.60 3.23 2.43 -1.93 -1.76 114.38 123.23 1pn5 h ARG 138 Ca 0.53 -0.12 0.12 0.00 -0.81 0.00 0.00 59.98 59.71 1pn5 h ARG 138 Cb 0.69 -0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 1pn5 h ARG 138 CO 1.80 0.73 0.02 0.77 -1.51 0.00 0.00 179.97 181.78 1pn5 h SER 139 N 0.97 -0.22 0.19 -3.80 0.02 -1.98 0.13 113.55 108.86 1pn5 h SER 139 Ca 0.24 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1pn5 h SER 139 Cb 0.06 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1pn5 h SER 139 CO -0.04 -0.09 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.40 1pn5 h LEU 140 N 0.14 -0.21 -0.56 5.07 -0.00 -1.73 0.23 115.31 118.24 1pn5 h LEU 140 Ca 0.31 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1pn5 h LEU 140 Cb 0.50 0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1pn5 h LEU 140 CO -0.49 0.07 0.24 0.00 -0.00 0.00 0.00 178.44 178.25 1pn5 h ALA 142 N 1.08 -1.15 -0.99 0.00 0.00 -0.76 -2.62 119.26 114.81 1pn5 h ALA 142 Ca 0.19 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.19 1pn5 h ALA 142 Cb 0.18 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1pn5 h ALA 142 CO -0.02 -1.14 0.69 1.96 0.00 0.00 0.00 179.25 180.74 1pn5 h GLN 143 N -0.92 0.14 -0.00 0.00 1.08 -0.74 0.13 115.11 114.80 1pn5 h GLN 143 Ca -0.07 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1pn5 h GLN 143 Cb 0.76 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1pn5 h GLN 143 CO 0.02 0.09 -0.03 0.00 -0.95 0.00 0.00 178.83 177.96 1pn5 n ALA 144 N -2.65 2.48 -2.03 3.87 0.00 0.11 -4.35 120.51 117.94 1pn5 n ALA 144 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 1pn5 n ALA 144 Cb 0.97 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.39 0.00 0.00 0.00 6.02 0.35 -4.94 117.38 117.43 1pn5 n GLN 145 Ca 0.10 -0.69 0.04 0.00 -0.01 0.00 0.00 57.00 56.45 1pn5 n GLN 145 Cb 0.30 -0.25 0.02 0.00 1.02 0.00 0.00 30.24 31.33 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 0.03 1.28 0.00 -1.09 0.28 -0.69 -4.98 120.64 115.47 1pn5 n GLU 146 Ca -0.01 -0.77 0.00 0.00 -0.16 0.00 0.00 57.16 56.22 1pn5 n GLU 146 Cb 0.65 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.43 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 0.67 1.75 3.27 -1.84 0.00 -1.26 -5.00 105.19 102.78 1pn5 n GLY 147 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.12 2.29 -3.00 4.61 0.00 -1.26 -4.75 120.51 117.28 1pn5 n ALA 148 Ca 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1pn5 n ALA 148 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 15.79 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 4.79 1.02 0.87 0.00 0.00 -1.26 -5.07 105.19 105.55 1pn5 n GLY 149 Ca 0.48 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -3.40 -0.77 1.61 8.25 -1.26 -5.23 115.22 114.42 1pn5 n HIS 150 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1pn5 n HIS 150 Cb 0.00 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41