#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 0.76 0.00 3.17 0.00 -1.26 -2.63 121.76 121.79 1pn5 s ALA 60 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1pn5 s ALA 60 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1pn5 s ALA 60 CO 0.00 -3.62 0.00 0.41 0.00 0.00 0.00 175.76 172.55 1pn5 n GLY 61 N -1.33 0.65 1.51 0.00 0.00 -1.26 -4.29 105.19 100.47 1pn5 n GLY 61 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.97 0.04 2.41 -0.02 0.00 -1.26 -4.75 105.19 99.65 1pn5 n GLY 62 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.15 -0.52 -4.44 4.61 0.00 -1.08 -4.78 120.51 113.15 1pn5 n ALA 63 Ca -0.00 0.19 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1pn5 n ALA 63 Cb 0.50 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.68 0.56 0.00 0.00 4.27 -1.22 -4.70 117.44 112.66 1pn5 n TRP 64 Ca -0.23 -2.12 0.00 0.00 -3.89 0.00 0.00 57.50 51.26 1pn5 n TRP 64 Cb 0.67 -0.32 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 -0.36 0.40 0.00 -1.67 0.00 -1.26 -1.13 105.19 101.17 1pn5 n GLY 65 Ca -0.14 0.44 0.01 0.00 0.00 0.00 0.00 46.02 46.34 1pn5 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn5 n ARG 66 N 0.00 0.01 -0.32 1.61 5.12 -1.26 -2.25 116.66 119.57 1pn5 n ARG 66 Ca 0.00 0.41 -0.05 0.00 -1.93 0.00 0.00 57.85 56.28 1pn5 n ARG 66 Cb 0.00 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.79 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 -1.54 0.00 0.55 3.38 -1.98 0.68 115.31 116.41 1pn5 h LEU 67 Ca 0.00 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1pn5 h LEU 67 Cb 0.04 0.75 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1pn5 h LEU 67 CO 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.24 1pn5 n ALA 68 N -3.31 2.14 -0.09 1.53 0.00 -0.96 -0.81 120.51 119.02 1pn5 n ALA 68 Ca 0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1pn5 n ALA 68 Cb 0.36 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1pn5 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn5 h TYR 70 N -0.64 0.44 0.00 0.00 0.05 -0.60 -1.67 116.97 114.55 1pn5 h TYR 70 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1pn5 h TYR 70 Cb 1.61 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 39.21 1pn5 h TYR 70 CO 0.04 0.34 0.00 1.28 -1.05 0.00 0.00 178.16 178.77 1pn5 n LEU 71 N -4.81 0.00 -0.18 3.88 4.77 0.01 -1.63 117.00 119.04 1pn5 n LEU 71 Ca -0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1pn5 n LEU 71 Cb 0.07 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1pn5 n LEU 71 CO 0.35 0.00 0.42 1.21 -1.33 0.00 0.00 177.39 178.04 1pn5 n GLU 72 N -0.66 1.03 -0.04 3.23 4.07 -0.68 -3.72 120.64 123.86 1pn5 n GLU 72 Ca 0.05 -1.67 -0.00 0.00 -0.06 0.00 0.00 57.16 55.48 1pn5 n GLU 72 Cb 0.02 -0.99 -0.00 0.00 -0.06 0.00 0.00 31.44 30.41 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1pn5 h PHE 73 N 0.00 -0.01 -4.49 4.31 -5.15 -0.71 -3.49 116.94 107.40 1pn5 h PHE 73 Ca 0.00 -0.00 -0.48 0.00 -0.20 0.00 0.00 57.97 57.29 1pn5 h PHE 73 Cb 1.04 0.00 0.09 0.00 0.22 0.00 0.00 35.95 37.30 1pn5 h PHE 73 CO 0.03 -0.01 0.40 -0.48 -2.00 0.00 0.00 178.31 176.25 1pn5 s LEU 74 N -8.42 2.74 0.00 2.10 0.05 -1.25 -5.11 118.68 108.79 1pn5 s LEU 74 Ca -0.00 0.95 0.00 0.00 0.05 0.00 0.00 54.13 55.13 1pn5 s LEU 74 Cb 0.00 -3.62 0.00 0.00 -2.05 0.00 0.00 46.19 40.52 1pn5 s LEU 74 CO 0.01 -1.58 0.00 0.29 -0.55 0.00 0.00 176.35 174.52 1pn5 n LYS 75 N -3.12 1.57 0.33 1.48 5.02 -1.26 -4.79 118.16 117.38 1pn5 n LYS 75 Ca 0.07 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.57 1pn5 n LYS 75 Cb 0.59 0.00 1.12 0.00 -0.02 0.00 0.00 35.03 36.72 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 -0.48 1.97 6.56 -1.96 0.24 116.57 122.90 1pn5 h LYS 76 Ca 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.66 1pn5 h LYS 76 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.57 1pn5 h LYS 76 CO 0.00 0.00 -0.50 0.93 -2.06 0.00 0.00 179.45 177.82 1pn5 h GLU 77 N 0.00 -0.31 0.00 3.15 5.08 -2.00 -3.33 114.58 117.17 1pn5 h GLU 77 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pn5 h GLU 77 Cb 0.08 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pn5 h GLU 77 CO -0.00 -0.21 -0.77 0.39 -1.00 0.00 0.00 179.01 177.42 1pn5 n GLU 78 N -5.39 2.57 -0.30 2.33 1.02 -0.36 -4.14 120.64 116.37 1pn5 n GLU 78 Ca -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1pn5 n GLU 78 Cb 0.34 -0.89 0.13 0.00 -0.02 0.00 0.00 31.44 31.00 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 0.82 -0.09 -4.62 5.85 -0.80 0.12 115.31 116.60 1pn5 h LEU 79 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1pn5 h LEU 79 Cb 0.77 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1pn5 h LEU 79 CO 0.00 0.53 -0.12 0.50 -0.34 0.00 0.00 178.44 179.01 1pn5 h LYS 80 N 0.96 0.24 -0.14 1.25 3.11 -1.71 -0.43 116.57 119.84 1pn5 h LYS 80 Ca 0.36 -0.14 0.05 0.00 -2.81 0.00 0.00 60.65 58.11 1pn5 h LYS 80 Cb 0.14 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.31 1pn5 h LYS 80 CO -0.16 0.70 -0.29 0.93 -2.81 0.00 0.00 179.45 177.82 1pn5 h GLU 81 N -0.21 -0.34 0.00 1.90 5.08 -1.67 -0.53 114.58 118.82 1pn5 h GLU 81 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pn5 h GLU 81 Cb 0.68 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pn5 h GLU 81 CO 0.03 -0.23 0.00 0.34 -1.00 0.00 0.00 179.01 178.15 1pn5 n PHE 82 N -5.40 0.35 0.02 4.33 7.35 0.41 0.24 117.46 124.77 1pn5 n PHE 82 Ca -0.03 0.15 -0.21 0.00 -0.76 0.00 0.00 57.45 56.61 1pn5 n PHE 82 Cb 0.31 -0.75 -0.14 0.00 0.35 0.00 0.00 39.48 39.25 1pn5 n PHE 82 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1pn5 h GLN 83 N 0.00 0.25 0.06 -4.13 -0.00 -0.12 -3.32 115.11 107.84 1pn5 h GLN 83 Ca 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1pn5 h GLN 83 Cb 0.18 0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.82 1pn5 h GLN 83 CO 0.00 1.20 -0.03 1.37 0.00 0.00 0.00 178.83 181.38 1pn5 h LEU 84 N -0.38 -0.06 -2.72 -2.39 8.10 0.51 -2.74 115.31 115.63 1pn5 h LEU 84 Ca -0.23 -0.47 -0.00 0.00 0.11 0.00 0.00 57.88 57.28 1pn5 h LEU 84 Cb 1.67 0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 41.91 1pn5 h LEU 84 CO 0.08 0.63 -0.00 -0.07 -4.11 0.00 0.00 178.44 174.97 1pn5 h LEU 85 N -0.96 0.00 0.65 0.17 3.38 -0.45 0.51 115.31 118.62 1pn5 h LEU 85 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1pn5 h LEU 85 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1pn5 h LEU 85 CO 0.01 0.00 -0.31 0.25 0.09 0.00 0.00 178.44 178.48 1pn5 h LEU 86 N 0.00 -0.74 -1.58 1.67 5.85 -1.65 -1.36 115.31 117.49 1pn5 h LEU 86 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1pn5 h LEU 86 Cb 0.01 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1pn5 h LEU 86 CO 0.00 -0.36 0.02 0.00 -0.34 0.00 0.00 178.44 177.76 1pn5 h ALA 87 N -1.13 1.67 -0.65 1.25 0.00 -0.98 -0.81 119.26 118.60 1pn5 h ALA 87 Ca -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1pn5 h ALA 87 Cb 0.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1pn5 h ALA 87 CO 0.15 0.26 0.30 -0.97 0.00 0.00 0.00 179.25 178.99 1pn5 h ASN 88 N 0.29 0.87 0.00 0.00 -1.24 -0.93 -3.23 115.58 111.33 1pn5 h ASN 88 Ca 0.07 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1pn5 h ASN 88 Cb 0.16 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1pn5 h ASN 88 CO 0.00 0.77 0.00 1.17 -1.29 0.00 0.00 177.43 178.08 1pn5 n LYS 89 N -4.46 0.00 0.00 6.67 0.00 -0.52 -5.02 118.16 114.83 1pn5 n LYS 89 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1pn5 n LYS 89 Cb 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1pn5 n LYS 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pn5 n ALA 90 N -1.02 0.00 0.00 3.14 0.00 -0.41 -4.97 120.51 117.25 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 0.00 0.00 -3.71 0.00 1.44 -1.26 -5.10 115.22 106.59 1pn5 n HIS 91 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 1pn5 n HIS 91 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 1pn5 n HIS 91 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1pn5 s SER 92 N -1.49 -0.33 0.00 4.39 0.01 -1.26 -5.11 113.70 109.90 1pn5 s SER 92 Ca 0.00 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1pn5 s SER 92 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1pn5 s SER 92 CO 0.00 -0.40 0.00 0.54 0.41 0.00 0.00 173.24 173.79 1pn5 n ARG 93 N 1.59 0.00 -2.19 12.44 3.00 -1.26 -5.13 116.66 125.10 1pn5 n ARG 93 Ca -0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.63 1pn5 n ARG 93 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.02 1pn5 n ARG 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1pn5 n SER 94 N -0.29 -0.11 -3.24 0.55 7.64 -1.26 -5.18 113.62 111.74 1pn5 n SER 94 Ca 0.00 -1.27 -0.28 0.00 1.01 0.00 0.00 58.87 58.33 1pn5 n SER 94 Cb 0.00 0.24 0.27 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.67 -4.05 -4.13 6.43 7.64 -1.26 -4.70 113.62 110.87 1pn5 n SER 95 Ca 0.01 -0.81 -0.21 0.00 1.01 0.00 0.00 58.87 58.86 1pn5 n SER 95 Cb 0.08 -0.95 -0.21 0.00 -1.01 0.00 0.00 64.21 62.12 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pn5 n SER 96 N -5.36 -1.29 -2.37 6.43 3.41 -1.26 -4.80 113.62 108.38 1pn5 n SER 96 Ca 0.13 -0.48 -0.17 0.00 -0.26 0.00 0.00 58.87 58.09 1pn5 n SER 96 Cb 0.56 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1pn5 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pn5 n GLY 97 N 5.09 4.73 3.67 5.00 0.00 -1.26 -5.05 105.19 117.37 1pn5 n GLY 97 Ca 0.62 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.59 4.16 -0.03 1.61 -1.05 -1.26 -4.95 118.70 113.59 1pn5 s GLU 98 Ca 0.42 2.47 -0.29 0.00 -0.15 0.00 0.00 54.97 57.42 1pn5 s GLU 98 Cb 0.39 -3.97 0.10 0.00 -0.44 0.00 0.00 34.13 30.22 1pn5 s GLU 98 CO -0.03 -0.88 0.87 -0.08 0.95 0.00 0.00 175.26 176.09 1pn5 s THR 99 N 3.89 0.00 0.55 1.83 -1.32 -1.26 -5.17 115.64 114.16 1pn5 s THR 99 Ca 0.82 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 61.13 1pn5 s THR 99 Cb -0.40 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.53 1pn5 s THR 99 CO 0.37 0.00 1.03 -2.16 -2.21 0.00 0.00 174.62 171.64 1pn5 s PRO 100 N -2.59 3.61 -0.02 7.08 0.04 -1.26 -5.08 135.00 136.79 1pn5 s PRO 100 Ca 0.02 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 1pn5 s PRO 100 Cb -0.01 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1pn5 s PRO 100 CO -0.06 -0.56 0.93 0.00 0.04 0.00 0.00 177.00 177.36 1pn5 s ALA 101 N -2.47 -1.85 0.03 8.56 0.00 -1.26 -5.19 121.76 119.59 1pn5 s ALA 101 Ca 0.62 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1pn5 s ALA 101 Cb -0.14 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1pn5 s ALA 101 CO 0.33 -0.70 -0.06 -0.65 0.00 0.00 0.00 175.76 174.67 1pn5 s GLN 102 N -3.04 0.46 0.63 0.00 -0.21 -1.26 -5.16 119.66 111.07 1pn5 s GLN 102 Ca 0.06 -0.67 -0.11 0.00 0.02 0.00 0.00 55.36 54.66 1pn5 s GLN 102 Cb -0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 33.01 33.76 1pn5 s GLN 102 CO -0.08 0.03 1.03 -1.25 -2.12 0.00 0.00 175.29 172.90 1pn5 s PRO 103 N -1.43 3.52 -0.07 2.91 0.04 -1.26 -5.01 135.00 133.71 1pn5 s PRO 103 Ca -0.10 0.71 0.11 0.00 0.04 0.00 0.00 61.00 61.76 1pn5 s PRO 103 Cb -0.09 -2.08 0.32 0.00 0.04 0.00 0.00 34.50 32.69 1pn5 s PRO 103 CO 0.00 -0.61 1.25 0.39 0.04 0.00 0.00 177.00 178.07 1pn5 n GLU 104 N -2.76 2.75 -2.79 4.56 -0.58 -1.26 -5.01 120.64 115.55 1pn5 n GLU 104 Ca 0.06 -2.25 -0.26 0.00 -0.42 0.00 0.00 57.16 54.29 1pn5 n GLU 104 Cb 0.54 -1.42 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1pn5 s LYS 105 N -1.72 3.47 0.00 3.49 0.00 -1.26 -5.00 119.74 118.71 1pn5 s LYS 105 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 55.97 56.27 1pn5 s LYS 105 Cb 0.18 -2.44 0.00 0.00 0.00 0.00 0.00 37.83 35.57 1pn5 s LYS 105 CO 0.10 -0.17 0.00 -2.37 0.00 0.00 0.00 175.35 172.91 1pn5 n THR 106 N -2.17 0.00 -4.29 3.79 5.66 -1.26 -5.10 114.28 110.91 1pn5 n THR 106 Ca -0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1pn5 n THR 106 Cb 0.56 0.02 -0.12 0.00 -1.55 0.00 0.00 70.33 69.23 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 2.56 0.59 1.09 0.01 -1.26 -5.01 113.70 111.48 1pn5 s SER 107 Ca 0.00 -0.69 0.36 0.00 1.31 0.00 0.00 55.95 56.93 1pn5 s SER 107 Cb 0.00 -0.14 1.76 0.00 0.21 0.00 0.00 66.02 67.85 1pn5 s SER 107 CO 0.00 0.06 2.14 1.23 0.41 0.00 0.00 173.24 177.08 1pn5 h GLY 108 N 4.05 0.00 1.95 3.44 0.00 -1.93 -0.59 103.07 110.00 1pn5 h GLY 108 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1pn5 h GLY 108 CO 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.85 1pn5 h MET 109 N 0.00 0.06 0.00 4.80 -0.00 -1.81 -3.21 114.93 114.76 1pn5 h MET 109 Ca -0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 1pn5 h MET 109 Cb 0.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.87 1pn5 h MET 109 CO 0.00 0.16 -1.99 -1.91 -0.00 0.00 0.00 176.91 173.17 1pn5 n GLU 110 N -4.40 0.68 -0.03 -0.10 2.13 -0.25 -3.79 120.64 114.88 1pn5 n GLU 110 Ca -0.02 -0.15 -0.03 0.00 0.66 0.00 0.00 57.16 57.62 1pn5 n GLU 110 Cb 0.19 -1.48 0.20 0.00 0.27 0.00 0.00 31.44 30.62 1pn5 n GLU 110 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1pn5 h VAL 111 N 0.00 1.24 -0.23 6.31 -1.51 -1.59 -2.64 116.25 117.84 1pn5 h VAL 111 Ca -0.11 -1.08 0.03 0.00 -1.23 0.00 0.00 66.70 64.32 1pn5 h VAL 111 Cb 1.18 1.10 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 1pn5 h VAL 111 CO 0.01 0.36 0.03 0.00 -1.23 0.00 0.00 177.57 176.74 1pn5 h ALA 112 N 1.32 0.22 -0.42 5.19 0.00 -1.65 0.20 119.26 124.13 1pn5 h ALA 112 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1pn5 h ALA 112 Cb 0.53 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pn5 h ALA 112 CO 0.03 -0.39 0.04 0.66 0.00 0.00 0.00 179.25 179.59 1pn5 h SER 113 N 0.12 0.60 -0.37 0.00 4.64 -1.68 -2.96 113.55 113.89 1pn5 h SER 113 Ca 0.10 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1pn5 h SER 113 Cb 0.11 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1pn5 h SER 113 CO -0.15 0.65 0.04 0.22 -0.87 0.00 0.00 176.83 176.72 1pn5 h TYR 114 N 0.62 0.67 -0.40 4.77 3.20 -0.86 -2.85 116.97 122.13 1pn5 h TYR 114 Ca 0.13 -0.10 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 1pn5 h TYR 114 Cb 0.33 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1pn5 h TYR 114 CO 0.01 0.69 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.86 1pn5 h LEU 115 N 0.46 0.89 -1.55 2.82 3.38 -0.57 0.11 115.31 120.85 1pn5 h LEU 115 Ca 0.11 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1pn5 h LEU 115 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pn5 h LEU 115 CO 0.01 1.12 -0.24 0.58 0.09 0.00 0.00 178.44 180.00 1pn5 h VAL 116 N 0.73 1.00 -0.07 1.22 2.07 -1.52 -0.35 116.25 119.34 1pn5 h VAL 116 Ca 0.08 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1pn5 h VAL 116 Cb 0.85 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1pn5 h VAL 116 CO 0.07 0.23 -0.07 0.00 0.02 0.00 0.00 177.57 177.83 1pn5 h ALA 117 N 1.76 0.10 -0.72 1.67 0.00 -1.05 -0.39 119.26 120.63 1pn5 h ALA 117 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1pn5 h ALA 117 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1pn5 h ALA 117 CO 0.03 -0.09 0.48 1.96 0.00 0.00 0.00 179.25 181.62 1pn5 h GLN 118 N -0.28 0.94 0.00 0.00 1.08 -0.34 -3.39 115.11 113.13 1pn5 h GLN 118 Ca 0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1pn5 h GLN 118 Cb 0.58 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1pn5 h GLN 118 CO 0.02 0.62 0.00 0.66 -0.95 0.00 0.00 178.83 179.18 1pn5 n TYR 119 N -4.59 0.00 -0.27 2.96 4.02 -0.18 -5.08 117.16 114.02 1pn5 n TYR 119 Ca 0.07 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.99 1pn5 n TYR 119 Cb 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 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 0.07 -2.69 0.31 2.72 0.00 -0.15 -4.43 105.19 101.01 1pn5 n GLY 120 Ca 0.00 -1.38 0.18 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.26 0.00 0.00 1.61 4.11 -1.87 -1.14 114.58 117.04 1pn5 h GLU 121 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pn5 h GLU 121 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1pn5 h GLU 121 CO 0.01 0.01 0.00 1.04 0.07 0.00 0.00 179.01 180.14 1pn5 n GLN 122 N -3.54 0.00 0.21 1.06 3.00 -1.26 -3.41 117.38 113.44 1pn5 n GLN 122 Ca -0.03 0.26 0.05 0.00 -0.01 0.00 0.00 57.00 57.28 1pn5 n GLN 122 Cb 0.10 -1.21 0.45 0.00 0.00 0.00 0.00 30.24 29.57 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pn5 h ARG 123 N 0.00 0.00 -0.18 -1.09 -0.00 -1.73 0.41 114.38 111.80 1pn5 h ARG 123 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.98 59.53 1pn5 h ARG 123 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1pn5 h ARG 123 CO 0.00 0.30 0.22 0.00 0.00 0.00 0.00 179.97 180.49 1pn5 h ALA 124 N 1.70 1.75 0.00 0.04 0.00 -1.31 -2.15 119.26 119.29 1pn5 h ALA 124 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pn5 h ALA 124 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1pn5 h ALA 124 CO 0.04 -0.31 -1.30 1.87 0.00 0.00 0.00 179.25 179.54 1pn5 n TRP 125 N -3.69 0.00 -0.30 0.00 -0.00 -0.87 -4.28 117.44 108.31 1pn5 n TRP 125 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.63 1pn5 n TRP 125 Cb 0.34 -0.20 0.28 0.00 -0.00 0.00 0.00 31.31 31.73 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 -0.05 0.37 0.38 5.87 1.82 -0.95 0.21 116.42 124.07 1pn5 h ASP 126 Ca -0.12 0.14 -0.27 0.00 -0.39 0.00 0.00 57.03 56.38 1pn5 h ASP 126 Cb 1.17 0.10 0.01 0.00 0.68 0.00 0.00 39.33 41.30 1pn5 h ASP 126 CO -0.04 0.05 -1.18 0.25 -1.61 0.00 0.00 179.24 176.72 1pn5 h LEU 127 N 0.45 0.61 0.26 2.28 5.85 -1.63 -3.17 115.31 119.96 1pn5 h LEU 127 Ca 0.53 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1pn5 h LEU 127 Cb 0.95 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1pn5 h LEU 127 CO -0.49 1.41 -0.47 0.00 -0.34 0.00 0.00 178.44 178.56 1pn5 h ALA 128 N 0.52 -0.93 -0.69 1.25 0.00 -1.37 -1.39 119.26 116.64 1pn5 h ALA 128 Ca -0.14 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1pn5 h ALA 128 Cb 1.86 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 20.34 1pn5 h ALA 128 CO 0.21 -1.08 0.37 -0.07 0.00 0.00 0.00 179.25 178.68 1pn5 h LEU 129 N -0.80 0.53 -0.77 0.00 3.38 -0.74 0.41 115.31 117.33 1pn5 h LEU 129 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1pn5 h LEU 129 Cb 0.76 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1pn5 h LEU 129 CO -0.19 0.33 0.40 -0.74 0.09 0.00 0.00 178.44 178.34 1pn5 h HIS 130 N 0.67 1.07 -0.07 1.13 6.17 -1.51 -2.86 115.15 119.75 1pn5 h HIS 130 Ca 0.32 -0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.38 1pn5 h HIS 130 Cb 0.24 -0.34 -0.00 0.00 2.52 0.00 0.00 27.41 29.83 1pn5 h HIS 130 CO -0.09 0.77 0.15 1.15 0.71 0.00 0.00 177.93 180.62 1pn5 h THR 131 N 1.07 0.22 0.00 6.26 2.02 0.25 0.40 112.91 123.13 1pn5 h THR 131 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1pn5 h THR 131 Cb 0.07 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1pn5 h THR 131 CO -0.04 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.64 1pn5 n TRP 132 N -3.38 0.81 0.23 3.16 8.01 -1.08 -2.95 117.44 122.24 1pn5 n TRP 132 Ca -0.01 0.27 0.11 0.00 -1.31 0.00 0.00 57.50 56.56 1pn5 n TRP 132 Cb 0.23 -0.93 0.47 0.00 -2.01 0.00 0.00 31.31 29.06 1pn5 n TRP 132 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 1pn5 h GLU 133 N 0.00 0.00 0.64 -0.99 4.81 -1.06 -1.49 114.58 116.49 1pn5 h GLU 133 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1pn5 h GLU 133 Cb 0.57 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.96 1pn5 h GLU 133 CO 0.00 0.17 -0.31 1.96 -0.73 0.00 0.00 179.01 180.11 1pn5 h GLN 134 N 0.00 -0.82 0.00 1.92 1.08 -1.69 -3.38 115.11 112.22 1pn5 h GLN 134 Ca -0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1pn5 h GLN 134 Cb 0.75 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1pn5 h GLN 134 CO 0.02 -0.51 -0.09 0.52 -0.95 0.00 0.00 178.83 177.83 1pn5 h MET 135 N -1.10 0.00 0.00 1.46 2.86 -1.61 -3.47 114.93 113.07 1pn5 h MET 135 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1pn5 h MET 135 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1pn5 h MET 135 CO 0.14 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.52 1pn5 n GLY 136 N 1.20 1.11 2.77 8.32 0.00 -0.59 -5.03 105.19 112.96 1pn5 n GLY 136 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 7.07 -0.04 0.99 7.99 -1.00 -4.75 117.00 127.25 1pn5 n LEU 137 Ca 0.00 -5.20 -0.09 0.00 -0.01 0.00 0.00 56.01 50.71 1pn5 n LEU 137 Cb 0.00 -1.26 -0.03 0.00 -0.11 0.00 0.00 43.42 42.02 1pn5 n LEU 137 CO 0.00 1.87 0.94 -0.09 -1.51 0.00 0.00 177.39 178.59 1pn5 h ARG 138 N 4.83 0.22 0.00 3.23 2.43 -1.96 -2.50 114.38 120.63 1pn5 h ARG 138 Ca 0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1pn5 h ARG 138 Cb 0.45 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1pn5 h ARG 138 CO 1.32 0.15 0.00 0.77 -1.51 0.00 0.00 179.97 180.69 1pn5 h SER 139 N 0.23 0.00 0.00 -3.80 0.02 -1.98 0.15 113.55 108.17 1pn5 h SER 139 Ca 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1pn5 h SER 139 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1pn5 h SER 139 CO -0.05 0.00 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.57 1pn5 h LEU 140 N 0.00 -0.00 -1.78 5.07 -0.00 -1.85 -2.03 115.31 114.72 1pn5 h LEU 140 Ca 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 57.00 1pn5 h LEU 140 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1pn5 h LEU 140 CO 0.00 0.89 0.15 0.00 -0.00 0.00 0.00 178.44 179.48 1pn5 n ALA 142 N -2.51 -0.34 -0.29 0.00 0.00 0.38 -3.91 120.51 113.84 1pn5 n ALA 142 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1pn5 n ALA 142 Cb 0.08 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.80 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 0.19 -0.18 0.00 1.08 -1.01 0.17 115.11 115.36 1pn5 h GLN 143 Ca 0.00 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1pn5 h GLN 143 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1pn5 h GLN 143 CO 0.00 0.12 0.42 0.00 -0.95 0.00 0.00 178.83 178.42 1pn5 h ALA 144 N 1.77 1.70 0.00 3.87 0.00 -1.26 -2.20 119.26 123.14 1pn5 h ALA 144 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1pn5 h ALA 144 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pn5 h ALA 144 CO -0.66 -0.51 0.00 1.04 0.00 0.00 0.00 179.25 179.12 1pn5 n GLN 145 N -3.20 0.22 -3.18 0.00 6.02 0.52 -4.68 117.38 113.08 1pn5 n GLN 145 Ca 0.02 -0.55 -0.23 0.00 -0.01 0.00 0.00 57.00 56.23 1pn5 n GLN 145 Cb 0.52 -0.78 -0.05 0.00 1.02 0.00 0.00 30.24 30.95 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 1.65 0.00 -1.09 1.02 -0.69 -4.82 120.64 116.62 1pn5 n GLU 146 Ca 0.00 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.26 1pn5 n GLU 146 Cb 0.20 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.57 0.60 1.79 0.62 0.00 -1.26 -4.80 105.19 102.70 1pn5 n GLY 147 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.43 0.00 0.00 4.61 0.00 -1.25 -4.59 120.51 117.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.09 1.09 0.00 0.00 -1.26 -4.96 105.19 100.15 1pn5 n GLY 149 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.92 -0.60 1.61 8.25 -1.26 -4.82 115.22 115.48 1pn5 n HIS 150 Ca 0.00 1.60 0.00 0.00 -0.26 0.00 0.00 57.72 59.06 1pn5 n HIS 150 Cb 0.00 -2.66 0.00 0.00 1.12 0.00 0.00 29.99 28.45 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43