#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 s ALA 60 N 0.00 3.14 0.00 3.04 0.00 -1.26 -4.64 121.76 122.04 1pn5 s ALA 60 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1pn5 s ALA 60 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1pn5 s ALA 60 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1pn5 n GLY 61 N -2.34 0.85 0.26 0.00 0.00 -1.26 -4.89 105.19 97.81 1pn5 n GLY 61 Ca 0.05 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 0.39 0.00 -0.02 0.00 -1.97 -3.43 103.07 98.04 1pn5 h GLY 62 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1pn5 h GLY 62 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.74 1pn5 n ALA 63 N -2.49 0.00 -3.36 3.60 0.00 -1.26 -5.14 120.51 111.86 1pn5 n ALA 63 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1pn5 n ALA 63 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 1pn5 n ALA 63 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1pn5 s TRP 64 N 0.00 -0.47 0.00 0.00 1.48 -1.26 -4.87 118.94 113.82 1pn5 s TRP 64 Ca 0.00 1.05 0.00 0.00 -1.06 0.00 0.00 56.10 56.09 1pn5 s TRP 64 Cb 0.00 0.19 0.00 0.00 -1.16 0.00 0.00 33.47 32.50 1pn5 s TRP 64 CO 0.00 -0.32 0.00 0.41 -4.06 0.00 0.00 176.95 172.98 1pn5 n GLY 65 N 2.29 0.56 0.03 3.67 0.00 -1.26 -4.39 105.19 106.08 1pn5 n GLY 65 Ca -0.16 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 -0.16 1.61 1.74 -1.26 -0.87 116.66 117.74 1pn5 n ARG 66 Ca 0.00 0.42 -0.02 0.00 -0.77 0.00 0.00 57.85 57.48 1pn5 n ARG 66 Cb 0.00 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1pn5 n ARG 66 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1pn5 h LEU 67 N 0.00 -0.37 -1.69 0.55 5.85 -1.98 -0.80 115.31 116.86 1pn5 h LEU 67 Ca 0.00 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1pn5 h LEU 67 Cb 0.12 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1pn5 h LEU 67 CO 0.00 -0.14 -0.16 0.00 -0.34 0.00 0.00 178.44 177.80 1pn5 h ALA 68 N 1.49 1.23 -0.85 1.25 0.00 -1.35 -3.21 119.26 117.83 1pn5 h ALA 68 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pn5 h ALA 68 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1pn5 h ALA 68 CO -0.49 0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.39 1pn5 n TYR 70 N -4.32 0.00 -0.66 0.00 4.01 -1.21 -3.52 117.16 111.47 1pn5 n TYR 70 Ca 0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.89 1pn5 n TYR 70 Cb 0.12 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.27 1pn5 n TYR 70 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1pn5 n LEU 71 N -0.98 2.58 -0.00 7.72 4.77 -0.69 -4.59 117.00 125.80 1pn5 n LEU 71 Ca 0.14 -2.65 0.02 0.00 -0.03 0.00 0.00 56.01 53.49 1pn5 n LEU 71 Cb 0.07 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1pn5 n LEU 71 CO 0.11 0.65 -0.46 -0.62 -1.33 0.00 0.00 177.39 175.74 1pn5 n GLU 72 N -0.80 1.00 -0.08 3.23 -0.58 -1.23 -4.04 120.64 118.13 1pn5 n GLU 72 Ca 0.12 -0.02 -0.12 0.00 -0.42 0.00 0.00 57.16 56.71 1pn5 n GLU 72 Cb 0.55 -1.01 -0.05 0.00 -0.57 0.00 0.00 31.44 30.36 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1pn5 h PHE 73 N 0.00 0.55 -4.16 -0.32 -0.00 -1.81 -3.44 116.94 107.76 1pn5 h PHE 73 Ca 0.00 -0.13 -0.49 0.00 -0.00 0.00 0.00 57.97 57.35 1pn5 h PHE 73 Cb 0.13 -0.13 0.03 0.00 -0.00 0.00 0.00 35.95 35.98 1pn5 h PHE 73 CO 0.00 0.75 0.35 -0.48 -0.00 0.00 0.00 178.31 178.92 1pn5 s LEU 74 N -9.24 3.53 0.00 2.10 0.05 -1.26 -5.09 118.68 108.77 1pn5 s LEU 74 Ca -0.14 1.45 0.02 0.00 0.05 0.00 0.00 54.13 55.52 1pn5 s LEU 74 Cb 0.07 -4.42 -0.01 0.00 -2.05 0.00 0.00 46.19 39.79 1pn5 s LEU 74 CO 0.77 -0.65 0.07 0.29 -0.55 0.00 0.00 176.35 176.28 1pn5 n LYS 75 N -1.91 0.81 0.21 1.48 5.02 -1.26 -4.82 118.16 117.69 1pn5 n LYS 75 Ca 0.06 -2.78 0.14 0.00 -2.02 0.00 0.00 58.31 53.70 1pn5 n LYS 75 Cb 0.54 1.19 0.73 0.00 -0.02 0.00 0.00 35.03 37.47 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 -0.09 1.97 6.56 -1.95 0.21 116.57 123.28 1pn5 h LYS 76 Ca -0.28 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.33 1pn5 h LYS 76 Cb 0.97 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.57 1pn5 h LYS 76 CO 0.46 0.00 -0.49 0.93 -2.06 0.00 0.00 179.45 178.29 1pn5 h GLU 77 N 0.00 -0.52 0.00 3.15 5.08 -2.00 -2.89 114.58 117.40 1pn5 h GLU 77 Ca 0.00 0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 58.05 1pn5 h GLU 77 Cb 0.09 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 1pn5 h GLU 77 CO 0.00 -0.35 -2.31 0.39 -1.00 0.00 0.00 179.01 175.74 1pn5 n GLU 78 N -5.12 0.87 -0.34 2.33 1.02 -0.30 -3.76 120.64 115.33 1pn5 n GLU 78 Ca -0.06 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1pn5 n GLU 78 Cb 0.34 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.97 0.07 -4.62 7.12 -0.79 0.23 115.31 118.28 1pn5 h LEU 79 Ca -0.52 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.49 1pn5 h LEU 79 Cb 2.11 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 42.03 1pn5 h LEU 79 CO 0.01 0.64 -0.03 0.50 -0.13 0.00 0.00 178.44 179.43 1pn5 h LYS 80 N 1.12 -0.08 -0.60 1.25 3.11 -1.70 -3.05 116.57 116.61 1pn5 h LYS 80 Ca 0.38 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.33 1pn5 h LYS 80 Cb 0.08 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.25 1pn5 h LYS 80 CO -0.14 0.37 0.20 0.93 -2.81 0.00 0.00 179.45 177.99 1pn5 h GLU 81 N -0.58 0.35 0.13 1.90 5.08 -1.42 0.72 114.58 120.75 1pn5 h GLU 81 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pn5 h GLU 81 Cb 0.49 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1pn5 h GLU 81 CO 0.01 0.23 -0.34 0.35 -1.00 0.00 0.00 179.01 178.26 1pn5 h PHE 82 N 0.36 -0.95 -0.30 4.33 3.04 -0.64 0.33 116.94 123.11 1pn5 h PHE 82 Ca 0.31 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 1pn5 h PHE 82 Cb 0.40 0.40 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 1pn5 h PHE 82 CO -0.19 -0.45 0.03 0.37 -2.02 0.00 0.00 178.31 176.05 1pn5 h GLN 83 N -0.58 0.45 0.46 1.11 -0.00 -1.30 0.07 115.11 115.31 1pn5 h GLN 83 Ca 0.03 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1pn5 h GLN 83 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1pn5 h GLN 83 CO -0.20 0.46 -0.22 1.25 0.00 0.00 0.00 178.83 180.12 1pn5 h LEU 84 N 0.44 -0.53 -0.23 -2.39 6.46 -0.13 -2.91 115.31 116.03 1pn5 h LEU 84 Ca 0.10 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1pn5 h LEU 84 Cb 0.24 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1pn5 h LEU 84 CO 0.00 -0.16 0.03 -0.07 -0.62 0.00 0.00 178.44 177.62 1pn5 h LEU 85 N -1.04 -0.02 0.07 2.25 3.38 -0.35 -1.09 115.31 118.51 1pn5 h LEU 85 Ca -0.06 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pn5 h LEU 85 Cb 0.48 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pn5 h LEU 85 CO 0.10 0.02 -0.05 0.25 0.09 0.00 0.00 178.44 178.86 1pn5 h LEU 86 N 0.12 -0.11 -1.55 1.67 6.46 -1.11 0.25 115.31 121.03 1pn5 h LEU 86 Ca 0.10 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1pn5 h LEU 86 Cb 0.11 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1pn5 h LEU 86 CO -0.15 -0.08 -0.24 0.00 -0.62 0.00 0.00 178.44 177.36 1pn5 h ALA 87 N 0.81 1.51 -0.14 1.25 0.00 -1.36 -0.57 119.26 120.76 1pn5 h ALA 87 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1pn5 h ALA 87 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pn5 h ALA 87 CO 0.01 0.29 -0.01 -0.97 0.00 0.00 0.00 179.25 178.57 1pn5 h ASN 88 N 0.00 0.25 -0.06 0.00 -1.24 -0.25 -1.57 115.58 112.71 1pn5 h ASN 88 Ca -0.00 -0.32 0.04 0.00 0.71 0.00 0.00 56.30 56.72 1pn5 h ASN 88 Cb 0.44 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.36 1pn5 h ASN 88 CO 0.03 0.52 -0.43 0.50 -1.29 0.00 0.00 177.43 176.75 1pn5 h LYS 89 N -0.01 -0.53 0.00 6.67 3.11 0.20 -1.47 116.57 124.53 1pn5 h LYS 89 Ca 0.04 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.91 1pn5 h LYS 89 Cb 0.39 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1pn5 h LYS 89 CO 0.01 -0.35 -0.02 0.00 -2.81 0.00 0.00 179.45 176.27 1pn5 h ALA 90 N -0.01 1.01 0.00 5.00 0.00 -1.21 -3.48 119.26 120.57 1pn5 h ALA 90 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 90 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pn5 h ALA 90 CO -0.36 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 176.53 1pn5 n HIS 91 N -3.13 0.00 -1.82 0.00 1.44 -0.56 -4.76 115.22 106.39 1pn5 n HIS 91 Ca 0.01 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 1pn5 n HIS 91 Cb 0.32 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.43 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 0.52 -1.17 -3.13 4.39 2.88 -1.26 -4.90 113.62 110.94 1pn5 n SER 92 Ca 0.00 -0.08 -0.20 0.00 -1.33 0.00 0.00 58.87 57.27 1pn5 n SER 92 Cb 0.00 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 1pn5 n SER 92 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pn5 n ARG 93 N -0.24 1.45 0.00 -1.46 0.63 -1.26 -5.14 116.66 110.63 1pn5 n ARG 93 Ca -0.03 -3.69 0.00 0.00 -0.92 0.00 0.00 57.85 53.21 1pn5 n ARG 93 Cb 0.15 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.25 1pn5 n ARG 93 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1pn5 n SER 94 N 0.17 -1.00 -4.62 6.15 7.64 -1.26 -4.58 113.62 116.12 1pn5 n SER 94 Ca 0.26 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.77 1pn5 n SER 94 Cb 0.61 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.87 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 -3.54 0.71 -3.71 6.43 7.64 -1.26 -5.04 113.62 114.86 1pn5 n SER 95 Ca 0.00 0.77 -0.30 0.00 1.01 0.00 0.00 58.87 60.35 1pn5 n SER 95 Cb 0.00 -1.39 0.24 0.00 -1.01 0.00 0.00 64.21 62.05 1pn5 n SER 95 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1pn5 s SER 96 N -1.33 0.97 0.00 6.43 0.01 -1.26 -5.01 113.70 113.50 1pn5 s SER 96 Ca 0.76 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1pn5 s SER 96 Cb -0.40 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.21 1pn5 s SER 96 CO 0.47 -4.08 0.00 0.61 0.41 0.00 0.00 173.24 170.65 1pn5 n GLY 97 N -1.37 0.00 3.06 3.44 0.00 -1.26 -5.14 105.19 103.92 1pn5 n GLY 97 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pn5 n GLY 97 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pn5 n GLU 98 N -0.12 -1.28 -1.18 1.61 0.28 -1.26 -4.93 120.64 113.77 1pn5 n GLU 98 Ca 0.00 1.34 -0.30 0.00 -0.16 0.00 0.00 57.16 58.03 1pn5 n GLU 98 Cb 0.00 -1.65 0.12 0.00 1.43 0.00 0.00 31.44 31.34 1pn5 n GLU 98 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1pn5 s THR 99 N -0.67 2.96 0.07 3.84 -4.23 -1.26 -5.05 115.64 111.30 1pn5 s THR 99 Ca -0.02 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1pn5 s THR 99 Cb 0.00 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.11 1pn5 s THR 99 CO 0.14 -0.41 0.08 -0.81 -0.54 0.00 0.00 174.62 173.08 1pn5 n PRO 100 N -3.74 -0.54 -1.05 3.99 -0.04 -1.26 -4.91 135.00 127.44 1pn5 n PRO 100 Ca 0.08 -0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1pn5 n PRO 100 Cb 0.54 -0.09 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 1pn5 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pn5 n ALA 101 N -3.08 -2.73 -2.11 0.55 0.00 -1.26 -4.77 120.51 107.10 1pn5 n ALA 101 Ca -0.01 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 1pn5 n ALA 101 Cb 0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.58 4.28 0.32 0.00 -2.07 -1.26 -4.93 119.66 113.42 1pn5 s GLN 102 Ca 0.00 2.13 -0.28 0.00 -1.82 0.00 0.00 55.36 55.39 1pn5 s GLN 102 Cb 0.00 -3.32 -0.09 0.00 -1.09 0.00 0.00 33.01 28.50 1pn5 s GLN 102 CO 0.00 -0.52 1.15 -1.25 -1.32 0.00 0.00 175.29 173.35 1pn5 s PRO 103 N 1.48 4.44 -1.16 9.60 0.04 -1.26 -4.89 135.00 143.25 1pn5 s PRO 103 Ca 0.66 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.50 1pn5 s PRO 103 Cb -0.37 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1pn5 s PRO 103 CO 0.30 0.01 2.55 -0.85 0.04 0.00 0.00 177.00 179.05 1pn5 n GLU 104 N 0.81 2.76 -4.37 4.56 0.00 -1.26 -4.81 120.64 118.32 1pn5 n GLU 104 Ca 0.01 -1.73 -0.20 0.00 0.00 0.00 0.00 57.16 55.24 1pn5 n GLU 104 Cb 0.45 -2.56 -0.09 0.00 0.00 0.00 0.00 31.44 29.24 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1pn5 s LYS 105 N 2.71 1.63 0.00 3.44 -2.85 -1.26 -3.70 119.74 119.71 1pn5 s LYS 105 Ca 0.54 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 1pn5 s LYS 105 Cb 0.15 -0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 1pn5 s LYS 105 CO -0.04 -0.41 0.00 0.25 0.10 0.00 0.00 175.35 175.25 1pn5 n THR 106 N -0.63 0.00 -3.37 3.79 -2.24 -1.26 -4.91 114.28 105.66 1pn5 n THR 106 Ca -0.01 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 1pn5 n THR 106 Cb 0.65 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.31 6.87 0.12 3.42 0.01 -1.26 -4.82 113.70 117.72 1pn5 s SER 107 Ca 0.00 1.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.00 1pn5 s SER 107 Cb 0.00 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.85 1pn5 s SER 107 CO 0.00 0.22 1.59 1.23 0.41 0.00 0.00 173.24 176.70 1pn5 h GLY 108 N 5.17 -0.75 1.92 3.44 0.00 -1.92 -2.21 103.07 108.72 1pn5 h GLY 108 Ca -0.48 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pn5 h GLY 108 CO 0.66 -0.25 0.03 0.00 0.00 0.00 0.00 176.54 176.97 1pn5 h MET 109 N -0.58 0.11 0.00 4.80 -0.00 -1.82 -2.89 114.93 114.54 1pn5 h MET 109 Ca 0.04 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.62 1pn5 h MET 109 Cb 0.64 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.20 1pn5 h MET 109 CO -0.28 0.10 -0.55 0.93 -0.00 0.00 0.00 176.91 177.11 1pn5 h GLU 110 N 0.11 0.00 0.00 -0.10 3.07 -1.69 -1.64 114.58 114.33 1pn5 h GLU 110 Ca 0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1pn5 h GLU 110 Cb 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1pn5 h GLU 110 CO -0.00 0.55 -0.15 0.28 -1.40 0.00 0.00 179.01 178.29 1pn5 h VAL 111 N 0.00 0.60 -0.08 3.13 2.07 -1.48 -1.82 116.25 118.67 1pn5 h VAL 111 Ca -0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1pn5 h VAL 111 Cb 1.02 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1pn5 h VAL 111 CO 0.07 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.82 1pn5 h ALA 112 N 1.85 0.10 -0.49 1.67 0.00 -1.41 0.60 119.26 121.59 1pn5 h ALA 112 Ca -0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1pn5 h ALA 112 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pn5 h ALA 112 CO 0.02 -0.25 0.34 0.77 0.00 0.00 0.00 179.25 180.14 1pn5 h SER 113 N -0.12 0.12 0.08 0.00 0.02 -1.29 -2.05 113.55 110.31 1pn5 h SER 113 Ca 0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1pn5 h SER 113 Cb 0.29 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1pn5 h SER 113 CO 0.00 0.07 -0.71 0.22 -1.14 0.00 0.00 176.83 175.27 1pn5 h TYR 114 N 0.13 0.30 -0.28 3.45 3.20 -1.07 -3.28 116.97 119.41 1pn5 h TYR 114 Ca 0.23 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1pn5 h TYR 114 Cb 0.75 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1pn5 h TYR 114 CO -0.00 1.27 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.58 1pn5 h LEU 115 N -0.62 0.62 -1.66 2.82 3.38 -0.55 -1.79 115.31 117.51 1pn5 h LEU 115 Ca -0.15 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1pn5 h LEU 115 Cb 1.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1pn5 h LEU 115 CO 0.05 0.89 -0.19 0.58 0.09 0.00 0.00 178.44 179.86 1pn5 h VAL 116 N 0.34 0.97 0.00 1.22 2.07 -1.59 -0.12 116.25 119.14 1pn5 h VAL 116 Ca 0.06 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1pn5 h VAL 116 Cb 0.66 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1pn5 h VAL 116 CO 0.04 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1pn5 n ALA 117 N -2.43 2.16 -0.06 1.67 0.00 -0.84 -1.16 120.51 119.85 1pn5 n ALA 117 Ca -0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1pn5 n ALA 117 Cb 0.27 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1pn5 n ALA 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pn5 n GLN 118 N -1.92 0.64 0.00 0.00 1.13 -0.63 -4.86 117.38 111.74 1pn5 n GLN 118 Ca 0.05 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 1pn5 n GLN 118 Cb 0.35 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1pn5 n GLN 118 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1pn5 n TYR 119 N -4.07 0.00 -1.14 1.08 4.01 -0.15 -5.07 117.16 111.82 1pn5 n TYR 119 Ca -0.33 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1pn5 n TYR 119 Cb 0.83 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.81 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 1.98 -2.31 0.10 2.72 0.00 -0.31 -3.74 105.19 103.64 1pn5 n GLY 120 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.84 0.07 0.00 1.61 -0.58 -1.26 -1.39 120.64 115.25 1pn5 n GLU 121 Ca -0.02 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1pn5 n GLU 121 Cb 0.53 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1pn5 n GLU 121 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pn5 n GLN 122 N -1.84 0.00 0.17 3.49 3.00 -1.26 -4.48 117.38 116.47 1pn5 n GLN 122 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 1pn5 n GLN 122 Cb 0.16 -0.22 0.59 0.00 0.00 0.00 0.00 30.24 30.77 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 0.00 -1.09 -0.00 -1.63 -1.93 114.38 109.73 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 n ALA 124 N -1.85 1.18 -0.03 0.04 0.00 -0.48 -2.09 120.51 117.28 1pn5 n ALA 124 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 1pn5 n ALA 124 Cb 0.19 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1pn5 n ALA 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1pn5 n TRP 125 N -1.67 0.00 -0.22 0.00 -0.00 -0.78 -4.58 117.44 110.18 1pn5 n TRP 125 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.64 1pn5 n TRP 125 Cb 0.05 -0.24 0.44 0.00 -0.00 0.00 0.00 31.31 31.55 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 -0.27 0.53 0.03 5.87 3.58 -1.32 0.16 116.42 124.99 1pn5 h ASP 126 Ca -0.16 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1pn5 h ASP 126 Cb 1.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1pn5 h ASP 126 CO -0.09 0.27 -0.28 0.25 -2.88 0.00 0.00 179.24 176.51 1pn5 h LEU 127 N 0.57 0.09 -1.19 2.28 5.85 -1.69 -3.36 115.31 117.86 1pn5 h LEU 127 Ca 0.41 -0.95 0.17 0.00 0.84 0.00 0.00 57.88 58.35 1pn5 h LEU 127 Cb 0.77 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 1pn5 h LEU 127 CO -0.16 1.12 0.61 0.00 -0.34 0.00 0.00 178.44 179.67 1pn5 h ALA 128 N -0.03 1.81 -0.69 1.25 0.00 -1.19 -2.41 119.26 118.00 1pn5 h ALA 128 Ca -0.06 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1pn5 h ALA 128 Cb 1.16 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1pn5 h ALA 128 CO 0.01 -0.12 -0.10 -0.07 0.00 0.00 0.00 179.25 178.97 1pn5 h LEU 129 N 0.70 -0.51 -1.41 0.00 -0.00 -0.92 0.45 115.31 113.63 1pn5 h LEU 129 Ca 0.51 0.19 0.07 0.00 -0.00 0.00 0.00 57.88 58.66 1pn5 h LEU 129 Cb 0.86 0.38 -0.05 0.00 -0.00 0.00 0.00 40.66 41.86 1pn5 h LEU 129 CO -0.28 -0.20 0.47 -0.74 -0.00 0.00 0.00 178.44 177.70 1pn5 h HIS 130 N 0.04 0.72 0.00 1.13 -0.00 -1.63 -2.79 115.15 112.61 1pn5 h HIS 130 Ca 0.35 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1pn5 h HIS 130 Cb 0.56 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1pn5 h HIS 130 CO -0.49 0.37 -0.06 1.15 -0.00 0.00 0.00 177.93 178.90 1pn5 h THR 131 N 0.71 0.19 -0.31 6.26 2.02 -1.02 0.12 112.91 120.88 1pn5 h THR 131 Ca 0.32 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1pn5 h THR 131 Cb 0.32 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1pn5 h THR 131 CO -0.11 0.06 -0.21 -0.50 0.37 0.00 0.00 175.52 175.13 1pn5 h TRP 132 N 0.00 0.65 -0.51 3.16 -0.00 -1.56 0.08 115.95 117.77 1pn5 h TRP 132 Ca -0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.89 58.73 1pn5 h TRP 132 Cb 0.46 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 1pn5 h TRP 132 CO 0.00 0.75 0.22 1.49 -0.00 0.00 0.00 178.44 180.90 1pn5 h GLU 133 N 0.52 0.75 -0.19 0.49 4.81 -0.89 0.22 114.58 120.29 1pn5 h GLU 133 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1pn5 h GLU 133 Cb 0.65 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1pn5 h GLU 133 CO 0.05 0.65 0.12 1.96 -0.73 0.00 0.00 179.01 181.05 1pn5 h GLN 134 N 0.68 0.25 0.00 1.92 1.08 -1.14 -2.46 115.11 115.44 1pn5 h GLN 134 Ca 0.17 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1pn5 h GLN 134 Cb 0.16 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1pn5 h GLN 134 CO -0.02 0.19 0.00 -1.33 -0.95 0.00 0.00 178.83 176.72 1pn5 n MET 135 N -4.94 0.01 -0.67 1.46 2.81 -0.01 -4.93 117.12 110.85 1pn5 n MET 135 Ca -0.03 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1pn5 n MET 135 Cb 0.04 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 0.90 1.09 3.57 3.03 0.00 -0.08 -4.97 105.19 108.73 1pn5 n GLY 136 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.67 0.08 0.99 2.01 -0.33 -4.81 118.68 120.28 1pn5 s LEU 137 Ca 0.00 -2.06 -0.21 0.00 0.01 0.00 0.00 54.13 51.87 1pn5 s LEU 137 Cb 0.00 -2.58 -0.11 0.00 0.01 0.00 0.00 46.19 43.51 1pn5 s LEU 137 CO 0.00 -1.44 1.61 -0.09 1.01 0.00 0.00 176.35 177.44 1pn5 h ARG 138 N 8.47 0.21 -0.11 1.70 2.43 -1.94 -3.01 114.38 122.13 1pn5 h ARG 138 Ca 0.35 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.38 1pn5 h ARG 138 Cb 0.92 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1pn5 h ARG 138 CO 1.43 0.31 -0.40 0.77 -1.51 0.00 0.00 179.97 180.56 1pn5 h SER 139 N 0.06 0.25 -0.13 -3.80 0.02 -1.98 0.11 113.55 108.09 1pn5 h SER 139 Ca 0.05 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1pn5 h SER 139 Cb 0.18 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1pn5 h SER 139 CO -0.00 0.63 0.06 -0.07 -1.14 0.00 0.00 176.83 176.31 1pn5 h LEU 140 N 0.20 0.16 -1.43 5.07 3.38 -1.97 0.13 115.31 120.85 1pn5 h LEU 140 Ca 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1pn5 h LEU 140 Cb 0.80 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1pn5 h LEU 140 CO 0.06 0.23 0.19 0.00 0.09 0.00 0.00 178.44 179.00 1pn5 h ALA 142 N 1.63 -0.35 -0.00 0.00 0.00 -0.60 -3.04 119.26 116.91 1pn5 h ALA 142 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pn5 h ALA 142 Cb 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pn5 h ALA 142 CO -0.02 -0.59 0.00 1.96 0.00 0.00 0.00 179.25 180.61 1pn5 h GLN 143 N -0.57 0.00 0.00 0.00 4.20 -0.23 0.16 115.11 118.67 1pn5 h GLN 143 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pn5 h GLN 143 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1pn5 h GLN 143 CO 0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1pn5 n ALA 144 N -2.33 1.86 -0.86 3.87 0.00 -0.26 -4.07 120.51 118.72 1pn5 n ALA 144 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pn5 n ALA 144 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.76 0.04 0.00 0.00 6.02 0.41 -4.88 117.38 117.21 1pn5 n GLN 145 Ca 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1pn5 n GLN 145 Cb 0.25 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 30.94 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 -0.02 -0.28 -2.80 -1.09 0.28 -0.35 -5.02 120.64 111.36 1pn5 n GLU 146 Ca 0.00 -0.17 -0.21 0.00 -0.16 0.00 0.00 57.16 56.62 1pn5 n GLU 146 Cb 0.30 -0.66 0.01 0.00 1.43 0.00 0.00 31.44 32.52 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 0.01 -0.51 3.12 -1.84 0.00 -1.26 -4.88 105.19 99.84 1pn5 n GLY 147 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.92 4.04 -2.21 4.61 0.00 -1.26 -4.89 120.51 117.88 1pn5 n ALA 148 Ca -0.15 -3.62 -0.23 0.00 0.00 0.00 0.00 53.44 49.45 1pn5 n ALA 148 Cb 0.63 -3.57 0.02 0.00 0.00 0.00 0.00 19.45 16.53 1pn5 n ALA 148 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pn5 s GLY 149 N 4.32 2.05 0.47 0.00 0.00 -1.26 -4.89 107.32 108.01 1pn5 s GLY 149 Ca 0.54 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1pn5 s GLY 149 CO 0.03 -1.79 0.64 1.42 0.00 0.00 0.00 173.10 173.40 1pn5 n HIS 150 N -1.96 -3.28 -0.44 1.90 8.25 -1.26 -5.26 115.22 113.18 1pn5 n HIS 150 Ca 0.07 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 1pn5 n HIS 150 Cb 0.63 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41