#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5h n SER 27 N 0.00 4.64 0.10 1.61 7.64 -1.26 -4.54 113.62 121.81 1n5h n SER 27 Ca 0.00 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1n5h n SER 27 Cb 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1n5h n SER 27 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1n5h n HIS 28 N -0.28 -3.24 -2.52 1.43 -0.00 -1.26 -5.00 115.22 104.36 1n5h n HIS 28 Ca 0.33 0.68 0.03 0.00 0.46 0.00 0.00 57.72 59.21 1n5h n HIS 28 Cb 0.42 1.94 0.04 0.00 -0.12 0.00 0.00 29.99 32.27 1n5h n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1n5h n MET 29 N -2.85 0.57 -3.53 1.57 0.00 -1.26 -5.03 117.12 106.59 1n5h n MET 29 Ca 0.00 -2.47 -0.22 0.00 0.00 0.00 0.00 57.70 55.01 1n5h n MET 29 Cb 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 33.22 32.56 1n5h n MET 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1n5h s GLN 30 N -1.15 0.16 -0.16 0.03 0.74 -1.26 -5.13 119.66 112.88 1n5h s GLN 30 Ca 0.33 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.63 1n5h s GLN 30 Cb 0.37 -1.37 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 1n5h s GLN 30 CO -0.13 -0.75 0.12 0.00 -0.55 0.00 0.00 175.29 173.98 1n5h s ALA 31 N 2.23 3.71 0.44 1.58 0.00 -1.26 -4.56 121.76 123.90 1n5h s ALA 31 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1n5h s ALA 31 Cb -0.16 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1n5h s ALA 31 CO -0.16 0.35 0.00 1.28 0.00 0.00 0.00 175.76 177.23 1n5h n LEU 32 N 2.88 -0.80 -0.66 0.00 4.77 -1.26 -4.84 117.00 117.09 1n5h n LEU 32 Ca -0.18 1.83 0.01 0.00 -0.03 0.00 0.00 56.01 57.65 1n5h n LEU 32 Cb 0.53 -4.34 0.01 0.00 -2.33 0.00 0.00 43.42 37.30 1n5h n LEU 32 CO 0.34 -2.90 0.24 -1.20 -1.33 0.00 0.00 177.39 172.53 1n5h n SER 33 N -4.18 0.34 0.00 -1.43 7.64 -1.26 -5.02 113.62 109.71 1n5h n SER 33 Ca -0.03 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1n5h n SER 33 Cb 0.63 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1n5h n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n5h n TYR 34 N -0.01 0.00 0.06 1.43 9.36 -1.26 -4.19 117.16 122.56 1n5h n TYR 34 Ca 0.02 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.27 1n5h n TYR 34 Cb 0.78 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.90 1n5h n TYR 34 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1n5h h ARG 35 N 0.00 0.39 -0.53 2.98 2.43 -1.95 -1.78 114.38 115.92 1n5h h ARG 35 Ca 0.00 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1n5h h ARG 35 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1n5h h ARG 35 CO 0.00 0.37 -0.10 1.49 -1.51 0.00 0.00 179.97 180.22 1n5h h GLU 36 N 0.39 1.00 -0.49 0.20 4.57 -1.97 -1.69 114.58 116.59 1n5h h GLU 36 Ca 0.09 -0.37 -0.08 0.00 -1.18 0.00 0.00 59.36 57.83 1n5h h GLU 36 Cb 0.16 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1n5h h GLU 36 CO -0.00 1.05 -0.01 0.00 -1.18 0.00 0.00 179.01 178.86 1n5h h ALA 37 N 0.92 1.06 -0.40 2.92 0.00 -1.74 -2.65 119.26 119.36 1n5h h ALA 37 Ca 0.14 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1n5h h ALA 37 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n5h h ALA 37 CO 0.05 0.59 0.05 0.28 0.00 0.00 0.00 179.25 180.21 1n5h h VAL 38 N 0.76 1.25 -0.69 0.00 2.07 -1.08 0.33 116.25 118.90 1n5h h VAL 38 Ca 0.14 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.82 1n5h h VAL 38 Cb 0.48 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1n5h h VAL 38 CO 0.02 0.31 0.38 -0.07 0.02 0.00 0.00 177.57 178.23 1n5h h LEU 39 N 0.51 0.55 -0.12 2.57 3.38 -1.09 0.65 115.31 121.76 1n5h h LEU 39 Ca 0.12 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1n5h h LEU 39 Cb 0.40 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n5h h LEU 39 CO 0.01 0.35 -0.93 0.03 0.09 0.00 0.00 178.44 177.99 1n5h h ARG 40 N 0.69 0.62 -0.35 1.13 3.08 -1.28 -3.06 114.38 115.20 1n5h h ARG 40 Ca 0.31 -0.61 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1n5h h ARG 40 Cb 0.21 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1n5h h ARG 40 CO -0.20 1.22 -0.17 0.00 -1.07 0.00 0.00 179.97 179.75 1n5h h ALA 41 N 0.58 1.05 -0.13 0.04 0.00 0.33 -0.72 119.26 120.41 1n5h h ALA 41 Ca -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1n5h h ALA 41 Cb 1.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1n5h h ALA 41 CO 0.18 0.58 0.05 0.28 0.00 0.00 0.00 179.25 180.33 1n5h h VAL 42 N 0.57 1.16 -0.58 0.00 2.07 0.28 0.52 116.25 120.27 1n5h h VAL 42 Ca 0.09 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1n5h h VAL 42 Cb 0.62 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1n5h h VAL 42 CO 0.04 0.14 0.03 -0.78 0.02 0.00 0.00 177.57 177.03 1n5h h ASP 43 N 0.06 0.97 -0.74 0.57 3.58 -1.44 -2.39 116.42 117.03 1n5h h ASP 43 Ca 0.04 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.16 1n5h h ASP 43 Cb 0.18 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1n5h h ASP 43 CO -0.00 1.02 0.29 -0.09 -2.88 0.00 0.00 179.24 177.58 1n5h h ARG 44 N 0.89 1.12 -0.75 0.28 2.43 -0.89 -2.49 114.38 114.97 1n5h h ARG 44 Ca 0.17 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1n5h h ARG 44 Cb 0.50 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1n5h h ARG 44 CO 0.02 0.92 0.46 1.25 -1.51 0.00 0.00 179.97 181.12 1n5h h LEU 45 N 1.08 0.75 -0.30 3.80 5.85 0.37 0.37 115.31 127.22 1n5h h LEU 45 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1n5h h LEU 45 Cb 0.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1n5h h LEU 45 CO -0.02 0.51 0.18 0.78 -0.34 0.00 0.00 178.44 179.55 1n5h h ASN 46 N 0.89 0.29 -0.34 1.25 2.35 -1.01 0.23 115.58 119.23 1n5h h ASN 46 Ca 0.31 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.95 1n5h h ASN 46 Cb 0.06 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1n5h h ASN 46 CO -0.13 0.21 -0.18 -0.08 -1.65 0.00 0.00 177.43 175.60 1n5h h GLU 47 N 0.36 0.82 -0.09 0.81 4.57 -1.00 -2.96 114.58 117.09 1n5h h GLU 47 Ca 0.12 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 57.87 1n5h h GLU 47 Cb -0.00 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1n5h h GLU 47 CO -0.05 0.94 -0.47 0.37 -1.18 0.00 0.00 179.01 178.61 1n5h h GLN 48 N 0.72 0.22 -7.52 1.92 5.75 0.20 -3.44 115.11 112.96 1n5h h GLN 48 Ca 0.11 -0.12 -0.46 0.00 -0.15 0.00 0.00 58.65 58.03 1n5h h GLN 48 Cb 0.70 0.00 0.11 0.00 1.07 0.00 0.00 27.48 29.37 1n5h h GLN 48 CO 0.05 0.65 0.31 0.45 -2.65 0.00 0.00 178.83 177.65 1n5h s SER 49 N -6.88 4.05 -0.33 -0.69 0.15 0.75 -5.00 113.70 105.75 1n5h s SER 49 Ca -0.04 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.00 1n5h s SER 49 Cb 0.13 -0.66 0.56 0.00 -1.71 0.00 0.00 66.02 64.34 1n5h s SER 49 CO 0.78 -2.12 1.60 -1.54 1.20 0.00 0.00 173.24 173.16 1n5h n SER 50 N -3.29 2.98 -4.69 5.45 3.41 -1.26 -4.93 113.62 111.29 1n5h n SER 50 Ca 0.12 -3.68 -0.29 0.00 -0.26 0.00 0.00 58.87 54.76 1n5h n SER 50 Cb 0.60 -0.69 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 1n5h n SER 50 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1n5h s GLU 51 N -3.24 0.81 -0.23 4.33 2.12 -1.26 -5.00 118.70 116.24 1n5h s GLU 51 Ca 0.48 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.58 1n5h s GLU 51 Cb 0.43 -1.76 -0.17 0.00 0.26 0.00 0.00 34.13 32.88 1n5h s GLU 51 CO 0.04 -2.52 -0.16 0.00 -0.54 0.00 0.00 175.26 172.07 1n5h n ALA 52 N -4.06 1.50 -2.96 6.30 0.00 -1.26 -4.89 120.51 115.13 1n5h n ALA 52 Ca 0.06 -1.05 -0.22 0.00 0.00 0.00 0.00 53.44 52.23 1n5h n ALA 52 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1n5h n ALA 52 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n5h s ASN 53 N -6.12 6.32 0.67 0.00 3.84 -1.26 -0.50 114.94 117.88 1n5h s ASN 53 Ca -0.28 0.09 -0.11 0.00 0.21 0.00 0.00 52.86 52.77 1n5h s ASN 53 Cb 0.08 -1.87 -0.01 0.00 -0.55 0.00 0.00 41.25 38.90 1n5h s ASN 53 CO 0.59 -0.06 1.06 -0.76 -2.79 0.00 0.00 177.10 175.13 1n5h s LEU 54 N -3.89 3.07 -0.35 3.21 1.43 -1.05 -4.43 118.68 116.68 1n5h s LEU 54 Ca 0.34 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 1n5h s LEU 54 Cb -0.09 -4.29 0.12 0.00 0.03 0.00 0.00 46.19 41.96 1n5h s LEU 54 CO 0.29 -1.19 0.17 -0.31 0.23 0.00 0.00 176.35 175.54 1n5h s TYR 55 N -3.20 1.17 0.57 0.29 1.51 -1.26 -2.06 117.35 114.37 1n5h s TYR 55 Ca 0.57 -1.66 -0.17 0.00 -1.01 0.00 0.00 57.07 54.80 1n5h s TYR 55 Cb -0.12 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 1n5h s TYR 55 CO 0.54 -0.83 1.05 0.50 -1.11 0.00 0.00 175.55 175.70 1n5h s ARG 56 N 1.29 3.42 -0.03 -0.62 3.52 -0.99 -4.68 118.95 120.86 1n5h s ARG 56 Ca 0.14 1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 56.66 1n5h s ARG 56 Cb -0.20 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1n5h s ARG 56 CO -0.15 -0.73 1.16 -1.17 -0.81 0.00 0.00 175.30 173.60 1n5h s LEU 57 N -4.31 4.30 -0.08 -0.88 0.20 -1.26 -2.10 118.68 114.56 1n5h s LEU 57 Ca 0.64 1.81 -0.12 0.00 0.69 0.00 0.00 54.13 57.16 1n5h s LEU 57 Cb -0.16 -3.56 -0.29 0.00 -0.43 0.00 0.00 46.19 41.75 1n5h s LEU 57 CO 0.34 -0.52 0.58 0.25 -0.29 0.00 0.00 176.35 176.71 1n5h h LEU 58 N 7.75 0.52 -7.05 -0.68 5.85 0.08 -3.48 115.31 118.30 1n5h h LEU 58 Ca -0.36 -0.92 -0.06 0.00 0.84 0.00 0.00 57.88 57.38 1n5h h LEU 58 Cb 1.18 -0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.86 1n5h h LEU 58 CO 0.85 1.76 0.15 -0.70 -0.34 0.00 0.00 178.44 180.16 1n5h s GLU 59 N -2.55 1.05 0.04 1.25 2.12 -1.13 -4.98 118.70 114.50 1n5h s GLU 59 Ca -0.18 0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.29 1n5h s GLU 59 Cb 0.05 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.90 1n5h s GLU 59 CO 0.82 -0.35 -0.00 -1.17 -0.54 0.00 0.00 175.26 174.01 1n5h s LEU 60 N -1.43 3.47 0.33 2.70 2.96 -1.26 -0.45 118.68 125.00 1n5h s LEU 60 Ca -0.09 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1n5h s LEU 60 Cb -0.01 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1n5h s LEU 60 CO 0.06 0.23 0.42 -0.62 -1.32 0.00 0.00 176.35 175.12 1n5h s ASP 61 N -1.90 5.80 -0.80 3.68 2.15 0.42 -4.96 116.67 121.06 1n5h s ASP 61 Ca 0.22 -0.26 -0.00 0.00 0.43 0.00 0.00 52.55 52.94 1n5h s ASP 61 Cb -0.12 -1.17 0.20 0.00 -0.30 0.00 0.00 42.92 41.53 1n5h s ASP 61 CO 0.14 -0.41 0.65 -1.58 -0.17 0.00 0.00 175.17 173.80 1n5h s GLN 62 N -4.12 2.95 0.99 4.34 -0.44 -1.26 -4.68 119.66 117.44 1n5h s GLN 62 Ca 0.44 -3.16 -0.16 0.00 -2.50 0.00 0.00 55.36 49.98 1n5h s GLN 62 Cb -0.09 -3.79 0.20 0.00 -1.64 0.00 0.00 33.01 27.70 1n5h s GLN 62 CO 0.30 -1.25 1.24 -1.25 0.50 0.00 0.00 175.29 174.83 1n5h s PRO 63 N -1.15 0.44 0.49 1.67 0.04 -1.26 -5.03 135.00 130.21 1n5h s PRO 63 Ca 0.25 -0.19 -0.22 0.00 0.04 0.00 0.00 61.00 60.88 1n5h s PRO 63 Cb -0.09 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1n5h s PRO 63 CO -0.12 -2.58 1.14 -1.25 0.04 0.00 0.00 177.00 174.24 1n5h s PRO 64 N -5.68 3.61 -0.94 0.56 0.04 -1.26 -3.93 135.00 127.40 1n5h s PRO 64 Ca 0.71 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 1n5h s PRO 64 Cb -0.07 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1n5h s PRO 64 CO 0.53 -0.65 0.78 1.63 0.04 0.00 0.00 177.00 179.33 1n5h n LYS 65 N -0.81 -1.57 -0.12 4.56 4.76 -1.26 -4.42 118.16 119.31 1n5h n LYS 65 Ca 0.09 0.95 -0.19 0.00 -2.87 0.00 0.00 58.31 56.29 1n5h n LYS 65 Cb 0.49 -4.92 -0.10 0.00 -1.84 0.00 0.00 35.03 28.66 1n5h n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n5h n ALA 66 N -2.94 1.47 -2.05 7.82 0.00 -1.25 -4.33 120.51 119.23 1n5h n ALA 66 Ca -0.08 -0.99 0.04 0.00 0.00 0.00 0.00 53.44 52.41 1n5h n ALA 66 Cb 0.58 0.02 0.07 0.00 0.00 0.00 0.00 19.45 20.13 1n5h n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n5h n ASP 67 N -3.43 1.11 0.00 0.00 9.92 -1.26 -4.56 116.55 118.33 1n5h n ASP 67 Ca -0.43 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 1n5h n ASP 67 Cb 0.91 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1n5h n ASP 67 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n5h n GLU 68 N -0.17 0.38 -3.41 -1.24 -0.58 -1.26 -4.96 120.64 109.39 1n5h n GLU 68 Ca 0.09 -0.54 -0.28 0.00 -0.42 0.00 0.00 57.16 56.02 1n5h n GLU 68 Cb 0.90 -0.60 -0.11 0.00 -0.57 0.00 0.00 31.44 31.07 1n5h n GLU 68 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1n5h s ASP 69 N -0.14 1.89 -0.06 1.62 1.11 -1.26 -5.00 116.67 114.82 1n5h s ASP 69 Ca 0.00 -2.81 -0.16 0.00 0.18 0.00 0.00 52.55 49.77 1n5h s ASP 69 Cb 0.00 -0.43 -0.11 0.00 1.07 0.00 0.00 42.92 43.45 1n5h s ASP 69 CO 0.00 -0.21 0.63 1.55 1.18 0.00 0.00 175.17 178.32 1n5h h PRO 70 N 6.05 -0.27 -0.72 8.23 0.13 -1.95 -3.32 132.00 140.15 1n5h h PRO 70 Ca 0.21 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1n5h h PRO 70 Cb 0.93 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 1n5h h PRO 70 CO 0.34 0.02 0.48 0.78 -0.23 0.00 0.00 178.00 179.39 1n5h h GLY 71 N -0.99 1.01 -1.31 1.56 0.00 -1.96 -2.92 103.07 98.46 1n5h h GLY 71 Ca -0.03 -0.36 -0.51 0.00 0.00 0.00 0.00 47.33 46.43 1n5h h GLY 71 CO 0.05 0.33 0.37 -1.59 0.00 0.00 0.00 176.54 175.71 1n5h s THR 72 N -5.79 4.00 0.34 4.70 2.01 -1.25 -4.86 115.64 114.79 1n5h s THR 72 Ca -0.10 0.65 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 1n5h s THR 72 Cb 0.18 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 1n5h s THR 72 CO 0.78 -0.85 1.22 -2.16 -0.69 0.00 0.00 174.62 172.91 1n5h s PRO 73 N -5.08 4.35 -0.41 4.92 0.04 -1.26 -4.28 135.00 133.27 1n5h s PRO 73 Ca 0.58 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.49 1n5h s PRO 73 Cb -0.14 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.44 1n5h s PRO 73 CO 0.55 -0.12 0.29 0.21 0.04 0.00 0.00 177.00 177.97 1n5h s LYS 74 N -1.84 2.93 -0.83 4.56 2.20 0.69 -4.76 119.74 122.68 1n5h s LYS 74 Ca 0.50 -1.09 -0.25 0.00 -0.36 0.00 0.00 55.97 54.77 1n5h s LYS 74 Cb -0.35 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.01 1n5h s LYS 74 CO 0.46 -0.78 1.81 -1.25 -0.36 0.00 0.00 175.35 175.23 1n5h s PRO 75 N 1.64 2.77 0.38 4.03 0.04 -1.26 -0.73 135.00 141.87 1n5h s PRO 75 Ca 0.04 -0.18 -0.08 0.00 0.04 0.00 0.00 61.00 60.82 1n5h s PRO 75 Cb -0.20 -4.88 -0.06 0.00 0.04 0.00 0.00 34.50 29.41 1n5h s PRO 75 CO 0.09 -2.96 0.71 0.08 0.04 0.00 0.00 177.00 174.95 1n5h s VAL 76 N 8.79 4.87 -0.21 -0.36 1.01 0.22 -4.60 120.40 130.13 1n5h s VAL 76 Ca 0.63 0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 1n5h s VAL 76 Cb -0.07 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1n5h s VAL 76 CO 0.04 -0.50 0.52 -0.44 0.00 0.00 0.00 175.10 174.73 1n5h s SER 77 N -3.26 -0.62 0.17 3.32 0.01 -1.26 -1.23 113.70 110.83 1n5h s SER 77 Ca 0.49 1.10 -0.23 0.00 1.31 0.00 0.00 55.95 58.61 1n5h s SER 77 Cb -0.10 1.04 0.06 0.00 0.21 0.00 0.00 66.02 67.23 1n5h s SER 77 CO 0.32 -0.20 0.68 0.72 0.41 0.00 0.00 173.24 175.17 1n5h s PHE 78 N 0.92 -0.41 -0.10 2.43 -0.12 -1.18 -0.44 117.98 119.08 1n5h s PHE 78 Ca -0.05 0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 56.93 1n5h s PHE 78 Cb -0.06 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1n5h s PHE 78 CO -0.08 -0.91 0.06 0.95 -0.05 0.00 0.00 175.22 175.19 1n5h s THR 79 N -3.70 4.83 0.04 -4.49 -4.23 0.40 -1.67 115.64 106.81 1n5h s THR 79 Ca 0.04 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1n5h s THR 79 Cb -0.02 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 1n5h s THR 79 CO -0.07 0.61 -0.10 0.68 -0.54 0.00 0.00 174.62 175.20 1n5h s VAL 80 N -0.91 0.72 0.18 2.29 -7.23 0.10 0.82 120.40 116.37 1n5h s VAL 80 Ca 0.14 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 1n5h s VAL 80 Cb -0.12 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1n5h s VAL 80 CO 0.03 -0.19 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.03 1n5h s LYS 81 N -1.25 1.15 0.26 4.82 0.00 -0.89 -0.95 119.74 122.88 1n5h s LYS 81 Ca -0.04 -1.55 -0.30 0.00 0.00 0.00 0.00 55.97 54.08 1n5h s LYS 81 Cb -0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 37.83 37.27 1n5h s LYS 81 CO 0.01 -0.10 1.33 -2.00 0.00 0.00 0.00 175.35 174.59 1n5h s GLU 82 N -3.88 4.36 0.59 1.78 2.12 -0.78 -2.36 118.70 120.53 1n5h s GLU 82 Ca 0.24 2.16 0.10 0.00 0.36 0.00 0.00 54.97 57.82 1n5h s GLU 82 Cb 0.06 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.41 1n5h s GLU 82 CO 0.04 -0.24 0.82 0.95 -0.54 0.00 0.00 175.26 176.29 1n5h s THR 83 N -0.43 2.07 -0.44 -1.70 -4.23 -0.87 -2.01 115.64 108.03 1n5h s THR 83 Ca 0.54 -0.99 0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1n5h s THR 83 Cb -0.39 -2.07 0.33 0.00 1.34 0.00 0.00 72.50 71.71 1n5h s THR 83 CO 0.45 0.00 1.69 -0.37 -0.54 0.00 0.00 174.62 175.85 1n5h h VAL 84 N 0.12 0.00 -3.24 2.29 -1.51 -1.91 -3.42 116.25 108.58 1n5h h VAL 84 Ca -0.29 -0.82 -0.58 0.00 -1.23 0.00 0.00 66.70 63.78 1n5h h VAL 84 Cb 1.29 1.81 -0.06 0.00 -2.13 0.00 0.00 31.29 32.19 1n5h h VAL 84 CO 0.40 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.62 1n5h s PRO 86 N -0.14 3.43 -0.06 0.00 0.04 -1.26 -2.53 135.00 134.48 1n5h s PRO 86 Ca 0.27 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 1n5h s PRO 86 Cb -0.17 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1n5h s PRO 86 CO 0.13 -0.71 0.21 0.50 0.04 0.00 0.00 177.00 177.18 1n5h s ARG 87 N -4.33 3.54 0.03 4.56 3.52 0.34 -3.27 118.95 123.34 1n5h s ARG 87 Ca 0.61 -0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 56.05 1n5h s ARG 87 Cb -0.14 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1n5h s ARG 87 CO 0.40 0.73 0.35 -1.25 -0.81 0.00 0.00 175.30 174.72 1n5h s PRO 88 N -1.29 3.73 0.52 5.12 0.04 -1.26 -4.73 135.00 137.13 1n5h s PRO 88 Ca 0.20 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.42 1n5h s PRO 88 Cb -0.13 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1n5h s PRO 88 CO 0.10 0.63 0.72 0.99 0.04 0.00 0.00 177.00 179.48 1n5h s THR 89 N -1.27 2.75 0.18 1.26 2.01 -1.20 -4.99 115.64 114.37 1n5h s THR 89 Ca 0.28 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1n5h s THR 89 Cb -0.14 -2.99 0.11 0.00 0.01 0.00 0.00 72.50 69.49 1n5h s THR 89 CO 0.15 0.00 1.68 0.03 -0.69 0.00 0.00 174.62 175.80 1n5h h ARG 90 N 0.21 0.09 0.00 4.92 3.08 -2.03 -3.43 114.38 117.22 1n5h h ARG 90 Ca -0.41 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 59.03 1n5h h ARG 90 Cb 1.29 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1n5h h ARG 90 CO 0.50 0.06 -0.36 1.04 -1.07 0.00 0.00 179.97 180.13 1n5h n GLN 91 N -5.24 0.74 -0.75 0.04 6.02 -1.26 -5.12 117.38 111.81 1n5h n GLN 91 Ca 0.04 -3.50 -0.29 0.00 -0.01 0.00 0.00 57.00 53.24 1n5h n GLN 91 Cb 0.25 0.65 0.21 0.00 1.02 0.00 0.00 30.24 32.36 1n5h n GLN 91 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1n5h s PRO 92 N -4.02 -0.07 0.00 -1.09 0.04 -1.26 -4.88 135.00 123.72 1n5h s PRO 92 Ca 0.16 0.94 0.17 0.00 0.04 0.00 0.00 61.00 62.31 1n5h s PRO 92 Cb -0.01 -1.65 1.02 0.00 0.04 0.00 0.00 34.50 33.90 1n5h s PRO 92 CO 0.10 -3.18 1.43 -0.35 0.04 0.00 0.00 177.00 175.04 1n5h n PRO 93 N -4.55 0.56 0.04 0.56 -0.04 -1.26 -3.17 135.00 127.14 1n5h n PRO 93 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1n5h n PRO 93 Cb 0.54 -1.48 0.50 0.00 -0.04 0.00 0.00 33.50 33.02 1n5h n PRO 93 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n5h n GLU 94 N -0.98 0.10 -0.01 0.54 2.13 -1.26 -3.31 120.64 117.84 1n5h n GLU 94 Ca 0.13 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1n5h n GLU 94 Cb 0.06 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 30.02 1n5h n GLU 94 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1n5h n LEU 95 N -1.79 0.43 -4.96 4.31 7.99 -1.19 -4.96 117.00 116.82 1n5h n LEU 95 Ca 0.06 0.19 -0.28 0.00 -0.01 0.00 0.00 56.01 55.97 1n5h n LEU 95 Cb 0.33 0.16 0.17 0.00 -0.11 0.00 0.00 43.42 43.98 1n5h n LEU 95 CO 0.25 0.19 0.77 0.00 -1.51 0.00 0.00 177.39 177.10 1n5h n ASP 97 N -3.49 -0.33 -3.57 0.00 9.92 -1.26 -4.95 116.55 112.87 1n5h n ASP 97 Ca 0.17 -0.82 -0.26 0.00 -0.53 0.00 0.00 54.79 53.35 1n5h n ASP 97 Cb 0.60 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.92 1n5h n ASP 97 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1n5h s PHE 98 N -0.98 0.18 1.15 1.24 5.36 -1.26 -3.81 117.98 119.85 1n5h s PHE 98 Ca 0.00 -0.47 -0.13 0.00 -0.96 0.00 0.00 56.93 55.38 1n5h s PHE 98 Cb 0.00 -0.73 0.28 0.00 -0.34 0.00 0.00 43.02 42.22 1n5h s PHE 98 CO 0.00 -0.64 1.04 0.15 -1.46 0.00 0.00 175.22 174.30 1n5h s LYS 99 N 2.15 -0.81 -0.19 10.12 1.02 -0.85 -4.90 119.74 126.27 1n5h s LYS 99 Ca 0.05 0.91 -0.10 0.00 0.02 0.00 0.00 55.97 56.85 1n5h s LYS 99 Cb -0.16 -1.56 -0.08 0.00 -0.52 0.00 0.00 37.83 35.51 1n5h s LYS 99 CO -0.20 -3.67 -0.25 -1.91 -0.92 0.00 0.00 175.35 168.40 1n5h n GLU 100 N -4.89 0.41 0.00 1.68 0.00 -1.26 -4.50 120.64 112.08 1n5h n GLU 100 Ca 0.04 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.51 1n5h n GLU 100 Cb 0.54 -1.19 0.72 0.00 0.00 0.00 0.00 31.44 31.52 1n5h n GLU 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1n5h n ASN 101 N -3.90 0.00 -4.55 4.31 4.13 -1.26 -4.87 115.26 109.12 1n5h n ASN 101 Ca -0.36 -0.32 -0.34 0.00 1.68 0.00 0.00 54.58 55.24 1n5h n ASN 101 Cb 0.74 -0.21 0.10 0.00 -1.54 0.00 0.00 39.78 38.88 1n5h n ASN 101 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n5h n GLY 102 N 0.94 -1.02 3.67 7.41 0.00 -1.26 -4.83 105.19 110.10 1n5h n GLY 102 Ca 0.15 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1n5h n GLY 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n5h n ARG 103 N -1.99 2.08 -4.83 1.61 3.00 -1.26 -4.42 116.66 110.86 1n5h n ARG 103 Ca 0.11 0.74 -0.32 0.00 -0.00 0.00 0.00 57.85 58.38 1n5h n ARG 103 Cb 0.51 -2.43 -0.16 0.00 0.00 0.00 0.00 32.46 30.37 1n5h n ARG 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1n5h s VAL 104 N 0.15 2.16 0.07 5.15 1.01 -1.26 -1.87 120.40 125.80 1n5h s VAL 104 Ca 0.70 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 1n5h s VAL 104 Cb -0.65 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1n5h s VAL 104 CO 0.47 0.55 0.19 -1.59 0.00 0.00 0.00 175.10 174.72 1n5h s LYS 105 N 0.65 0.77 -0.29 2.72 0.00 -0.12 -3.91 119.74 119.55 1n5h s LYS 105 Ca -0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 55.97 55.00 1n5h s LYS 105 Cb -0.16 0.31 0.02 0.00 0.00 0.00 0.00 37.83 38.00 1n5h s LYS 105 CO 0.02 -0.23 0.04 -1.14 0.00 0.00 0.00 175.35 174.04 1n5h s GLN 106 N -3.26 2.87 -0.29 1.78 0.74 -1.26 0.01 119.66 120.24 1n5h s GLN 106 Ca 0.00 -0.99 -0.14 0.00 0.05 0.00 0.00 55.36 54.28 1n5h s GLN 106 Cb 0.02 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1n5h s GLN 106 CO -0.08 -0.50 0.35 0.00 -0.55 0.00 0.00 175.29 174.51 1n5h s VAL 108 N 2.02 2.16 0.10 0.00 -7.23 0.81 -3.12 120.40 115.13 1n5h s VAL 108 Ca 0.13 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1n5h s VAL 108 Cb -0.16 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.02 1n5h s VAL 108 CO 0.11 0.58 0.18 0.61 -0.31 0.00 0.00 175.10 176.26 1n5h n GLY 109 N 2.65 2.05 3.08 2.32 0.00 -0.36 0.92 105.19 115.86 1n5h n GLY 109 Ca -0.17 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1n5h n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n5h s THR 110 N -2.71 1.25 -0.11 2.61 -4.23 -1.19 0.72 115.64 111.98 1n5h s THR 110 Ca 0.05 -0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1n5h s THR 110 Cb -0.01 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.78 1n5h s THR 110 CO 0.04 0.37 0.27 0.68 -0.54 0.00 0.00 174.62 175.43 1n5h s VAL 111 N 0.22 -0.02 0.57 2.29 -7.23 0.09 -4.47 120.40 111.85 1n5h s VAL 111 Ca -0.07 0.07 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 1n5h s VAL 111 Cb -0.12 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1n5h s VAL 111 CO 0.02 0.03 1.18 0.28 -0.31 0.00 0.00 175.10 176.30 1n5h s THR 112 N 0.73 2.86 -0.35 5.32 -1.32 -1.26 -0.22 115.64 121.39 1n5h s THR 112 Ca -0.05 0.54 0.23 0.00 -1.21 0.00 0.00 61.69 61.20 1n5h s THR 112 Cb -0.06 -3.22 -0.02 0.00 -1.51 0.00 0.00 72.50 67.69 1n5h s THR 112 CO -0.05 -0.11 1.07 -0.11 -2.21 0.00 0.00 174.62 173.22 1n5h n LEU 113 N -1.41 0.75 -0.26 9.08 7.94 -1.10 -4.12 117.00 127.88 1n5h n LEU 113 Ca 0.12 0.25 -0.07 0.00 -1.11 0.00 0.00 56.01 55.21 1n5h n LEU 113 Cb 0.50 -0.09 0.05 0.00 0.53 0.00 0.00 43.42 44.41 1n5h n LEU 113 CO 0.44 -0.12 0.99 0.44 -1.11 0.00 0.00 177.39 178.03 1n5h h ASP 114 N 0.00 1.02 -3.05 1.96 5.19 -1.91 -3.44 116.42 116.19 1n5h h ASP 114 Ca 0.00 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.11 1n5h h ASP 114 Cb 0.91 -0.27 -0.26 0.00 0.18 0.00 0.00 39.33 39.90 1n5h h ASP 114 CO 0.00 0.94 -0.29 0.00 -3.12 0.00 0.00 179.24 176.78 1n5h s GLN 115 N -5.46 0.40 -0.27 3.56 -2.07 -1.26 -5.10 119.66 109.46 1n5h s GLN 115 Ca -0.12 0.88 -0.28 0.00 -1.82 0.00 0.00 55.36 54.01 1n5h s GLN 115 Cb 0.15 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1n5h s GLN 115 CO 0.83 -0.18 2.06 0.42 -1.32 0.00 0.00 175.29 177.10 1n5h s ILE 116 N 1.68 3.19 0.22 3.63 1.01 -1.26 -4.61 121.20 125.07 1n5h s ILE 116 Ca -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 1n5h s ILE 116 Cb -0.09 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1n5h s ILE 116 CO -0.13 -0.17 0.47 -0.54 0.00 0.00 0.00 174.94 174.56 1n5h s LYS 117 N 6.14 3.62 0.04 2.79 1.02 -1.26 -5.11 119.74 126.97 1n5h s LYS 117 Ca 0.92 -0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.87 1n5h s LYS 117 Cb -0.28 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1n5h s LYS 117 CO 0.34 0.33 -0.11 0.34 -0.92 0.00 0.00 175.35 175.33 1n5h s ASP 118 N -2.91 1.33 0.95 2.83 2.15 -1.26 -4.19 116.67 115.57 1n5h s ASP 118 Ca 0.42 -0.45 -0.15 0.00 0.43 0.00 0.00 52.55 52.81 1n5h s ASP 118 Cb -0.11 -0.06 0.17 0.00 -0.30 0.00 0.00 42.92 42.62 1n5h s ASP 118 CO 0.27 -0.03 1.24 -2.16 -0.17 0.00 0.00 175.17 174.32 1n5h s PRO 119 N -1.17 0.80 -0.44 4.34 0.04 -1.26 -5.10 135.00 132.22 1n5h s PRO 119 Ca -0.01 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1n5h s PRO 119 Cb -0.08 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1n5h s PRO 119 CO 0.01 -2.35 0.48 -0.48 0.04 0.00 0.00 177.00 174.71 1n5h s LEU 120 N -5.96 4.91 -1.14 -3.56 2.34 -1.26 -4.98 118.68 109.02 1n5h s LEU 120 Ca 0.69 -0.74 -0.23 0.00 0.06 0.00 0.00 54.13 53.92 1n5h s LEU 120 Cb -0.08 -2.41 -0.09 0.00 -0.56 0.00 0.00 46.19 43.05 1n5h s LEU 120 CO 0.52 -0.66 1.95 -1.81 -1.06 0.00 0.00 176.35 175.30 1n5h s ASP 121 N 2.03 4.97 0.03 1.48 1.11 -1.26 -4.91 116.67 120.12 1n5h s ASP 121 Ca 0.13 -1.51 0.08 0.00 0.18 0.00 0.00 52.55 51.43 1n5h s ASP 121 Cb -0.18 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.20 1n5h s ASP 121 CO 0.13 -3.12 -0.25 0.27 1.18 0.00 0.00 175.17 173.39 1n5h s ILE 122 N 11.19 1.99 0.02 0.77 -5.25 -1.26 -3.19 121.20 125.47 1n5h s ILE 122 Ca 0.69 -1.26 0.07 0.00 -0.99 0.00 0.00 60.65 59.17 1n5h s ILE 122 Cb -0.02 -1.69 -0.03 0.00 2.95 0.00 0.00 42.46 43.67 1n5h s ILE 122 CO 0.12 0.39 -0.21 -0.89 -1.79 0.00 0.00 174.94 172.55 1n5h s THR 123 N -0.74 2.54 0.02 8.37 2.01 0.26 -4.83 115.64 123.27 1n5h s THR 123 Ca 0.10 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1n5h s THR 123 Cb -0.10 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1n5h s THR 123 CO 0.01 0.43 0.02 0.00 -0.69 0.00 0.00 174.62 174.39 1n5h n ASN 125 N 1.18 1.24 -0.72 0.00 6.94 -0.94 -4.95 115.26 118.00 1n5h n ASN 125 Ca -0.13 -3.07 0.00 0.00 -0.02 0.00 0.00 54.58 51.35 1n5h n ASN 125 Cb 0.52 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 1n5h n ASN 125 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1n5h n GLU 126 N 0.21 0.00 -3.40 -3.83 0.00 -1.26 -4.61 120.64 107.76 1n5h n GLU 126 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 57.03 1n5h n GLU 126 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 32.00 1n5h n GLU 126 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1n5h s VAL 127 N 0.00 5.20 -1.00 3.84 1.01 -1.25 -4.83 120.40 123.36 1n5h s VAL 127 Ca 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1n5h s VAL 127 Cb 0.00 -3.72 0.29 0.00 0.00 0.00 0.00 36.38 32.96 1n5h s VAL 127 CO 0.00 0.24 1.29 0.00 0.00 0.00 0.00 175.10 176.63 1n5h n GLN 128 N 4.63 3.97 -2.22 2.72 6.02 -1.26 -4.32 117.38 126.91 1n5h n GLN 128 Ca -0.09 -4.57 -0.06 0.00 -0.01 0.00 0.00 57.00 52.27 1n5h n GLN 128 Cb 0.51 -2.46 0.03 0.00 1.02 0.00 0.00 30.24 29.34 1n5h n GLN 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n5h n GLY 129 N 1.38 0.06 0.00 1.08 0.00 -1.26 -5.20 105.19 101.25 1n5h n GLY 129 Ca 0.26 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.44 1n5h n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87