#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hms s ASN 37 N 0.00 6.77 -0.00 2.89 0.01 -1.26 -4.96 114.94 118.39 3hms s ASN 37 Ca 0.00 2.38 0.07 0.00 -0.71 0.00 0.00 52.86 54.60 3hms s ASN 37 Cb 0.00 -2.62 0.20 0.00 0.41 0.00 0.00 41.25 39.24 3hms s ASN 37 CO 0.00 -0.50 1.17 0.35 -1.51 0.00 0.00 177.10 176.61 3hms n THR 38 N 0.48 1.00 0.30 1.60 -2.24 -1.26 -4.67 114.28 109.50 3hms n THR 38 Ca 0.02 -1.00 0.19 0.00 -2.27 0.00 0.00 64.05 60.99 3hms n THR 38 Cb 0.45 0.50 0.98 0.00 -2.10 0.00 0.00 70.33 70.16 3hms n THR 38 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hms h ILE 39 N 1.35 0.00 0.00 2.28 2.10 -1.88 -0.73 117.51 120.62 3hms h ILE 39 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3hms h ILE 39 Cb 0.66 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 3hms h ILE 39 CO 0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 3hms n HIS 40 N -2.93 0.00 1.68 2.19 8.25 -1.26 -2.21 115.22 120.94 3hms n HIS 40 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3hms n HIS 40 Cb 0.13 -0.29 0.77 0.00 1.12 0.00 0.00 29.99 31.72 3hms n HIS 40 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3hms n GLU 41 N -1.29 0.94 -4.37 -0.41 1.02 -0.28 -4.86 120.64 111.39 3hms n GLU 41 Ca 0.11 -0.21 -0.31 0.00 -0.02 0.00 0.00 57.16 56.73 3hms n GLU 41 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 3hms n GLU 41 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hms s PHE 42 N -2.20 2.75 -0.21 -0.32 0.40 -0.94 -1.47 117.98 115.98 3hms s PHE 42 Ca 0.39 -0.14 -0.19 0.00 -0.60 0.00 0.00 56.93 56.39 3hms s PHE 42 Cb 0.21 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3hms s PHE 42 CO 0.40 0.38 0.54 0.21 0.70 0.00 0.00 175.22 177.46 3hms s LYS 43 N -1.85 4.17 -0.07 0.44 2.20 0.95 -4.83 119.74 120.74 3hms s LYS 43 Ca 0.19 0.43 -0.14 0.00 -0.36 0.00 0.00 55.97 56.10 3hms s LYS 43 Cb -0.11 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 3hms s LYS 43 CO 0.11 -0.22 0.35 0.21 -0.36 0.00 0.00 175.35 175.44 3hms s LYS 44 N 1.85 3.97 -0.34 4.03 2.20 -1.26 -1.11 119.74 129.08 3hms s LYS 44 Ca 0.24 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 56.14 3hms s LYS 44 Cb -0.15 -3.29 0.10 0.00 -1.51 0.00 0.00 37.83 32.98 3hms s LYS 44 CO 0.09 0.55 0.08 -1.12 -0.36 0.00 0.00 175.35 174.59 3hms s SER 45 N -0.54 4.53 0.62 1.43 0.01 1.00 -5.00 113.70 115.75 3hms s SER 45 Ca 0.21 -2.07 -0.18 0.00 1.31 0.00 0.00 55.95 55.22 3hms s SER 45 Cb -0.15 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 3hms s SER 45 CO 0.09 -0.38 1.21 0.00 0.41 0.00 0.00 173.24 174.57 3hms s ALA 46 N 1.02 2.47 -1.47 1.44 0.00 -1.26 -1.25 121.76 122.71 3hms s ALA 46 Ca 0.11 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 3hms s ALA 46 Cb -0.19 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.51 3hms s ALA 46 CO -0.12 -1.29 0.50 1.63 0.00 0.00 0.00 175.76 176.48 3hms n LYS 47 N -1.80 -3.34 -3.88 0.00 5.02 -0.14 -4.87 118.16 109.16 3hms n LYS 47 Ca 0.14 0.40 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 3hms n LYS 47 Cb 0.50 -4.66 -0.11 0.00 -0.02 0.00 0.00 35.03 30.74 3hms n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hms s THR 48 N -3.82 0.06 0.22 -0.18 2.01 -0.59 -2.22 115.64 111.11 3hms s THR 48 Ca 0.16 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3hms s THR 48 Cb -0.09 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 3hms s THR 48 CO 0.89 -0.27 0.16 0.28 -0.69 0.00 0.00 174.62 174.99 3hms s THR 49 N -0.91 0.00 -0.07 -0.82 -1.32 -0.27 -2.47 115.64 109.78 3hms s THR 49 Ca -0.10 -1.99 0.05 0.00 -1.21 0.00 0.00 61.69 58.44 3hms s THR 49 Cb -0.06 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.42 3hms s THR 49 CO 0.01 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.44 3hms s LEU 50 N -3.18 2.27 -0.18 9.08 1.43 -1.26 -1.76 118.68 125.08 3hms s LEU 50 Ca 0.39 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3hms s LEU 50 Cb 0.06 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 3hms s LEU 50 CO 0.14 0.25 -0.04 -0.63 0.23 0.00 0.00 176.35 176.30 3hms s ILE 51 N -0.16 3.71 -0.19 -0.59 -1.09 0.12 -4.95 121.20 118.06 3hms s ILE 51 Ca -0.03 -0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 57.81 3hms s ILE 51 Cb -0.14 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3hms s ILE 51 CO 0.04 0.46 0.50 -1.59 -1.23 0.00 0.00 174.94 173.11 3hms s LYS 52 N 0.79 4.21 -0.17 2.79 -2.85 -1.26 -0.98 119.74 122.26 3hms s LYS 52 Ca -0.01 0.39 0.01 0.00 -1.00 0.00 0.00 55.97 55.36 3hms s LYS 52 Cb -0.15 -3.54 -0.22 0.00 -2.06 0.00 0.00 37.83 31.86 3hms s LYS 52 CO 0.02 -0.09 0.14 -0.89 0.10 0.00 0.00 175.35 174.63 3hms n ILE 53 N 4.38 1.61 -2.13 3.79 2.08 0.97 -4.87 119.36 125.19 3hms n ILE 53 Ca -0.06 -0.66 -0.43 0.00 0.56 0.00 0.00 62.75 62.17 3hms n ILE 53 Cb 0.51 -1.40 -0.03 0.00 -0.75 0.00 0.00 39.64 37.97 3hms n ILE 53 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3hms s ASP 54 N -6.57 6.61 0.53 4.38 -1.08 -1.02 -4.89 116.67 114.63 3hms s ASP 54 Ca -0.24 1.88 0.22 0.00 -0.52 0.00 0.00 52.55 53.89 3hms s ASP 54 Cb 0.08 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 3hms s ASP 54 CO 0.72 -1.03 2.16 -0.65 0.52 0.00 0.00 175.17 176.89 3hms h PRO 55 N 9.76 0.00 -0.01 4.34 0.11 -1.93 -2.65 132.00 141.62 3hms h PRO 55 Ca -0.34 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3hms h PRO 55 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hms h PRO 55 CO 0.98 0.04 -0.39 0.00 -0.21 0.00 0.00 178.00 178.42 3hms h ALA 56 N 1.96 1.34 -2.87 -0.75 0.00 -2.00 -3.44 119.26 113.50 3hms h ALA 56 Ca -0.00 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.03 3hms h ALA 56 Cb 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 17.88 3hms h ALA 56 CO 0.01 0.50 0.62 -0.51 0.00 0.00 0.00 179.25 179.86 3hms s LEU 57 N -8.15 4.37 0.24 0.00 1.43 -1.00 -5.03 118.68 110.54 3hms s LEU 57 Ca -0.03 2.65 0.10 0.00 -1.03 0.00 0.00 54.13 55.83 3hms s LEU 57 Cb 0.14 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3hms s LEU 57 CO 0.73 -0.60 -0.07 -1.59 0.23 0.00 0.00 176.35 175.05 3hms s LYS 58 N -1.90 2.10 0.02 1.70 -2.85 -1.26 -5.02 119.74 112.52 3hms s LYS 58 Ca 0.51 -1.44 -0.03 0.00 -1.00 0.00 0.00 55.97 54.00 3hms s LYS 58 Cb -0.39 -2.08 -0.01 0.00 -2.06 0.00 0.00 37.83 33.29 3hms s LYS 58 CO 0.51 0.38 0.05 0.42 0.10 0.00 0.00 175.35 176.81 3hms s ILE 59 N -2.16 0.11 0.03 3.79 1.01 -1.26 -4.28 121.20 118.44 3hms s ILE 59 Ca 0.29 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3hms s ILE 59 Cb -0.07 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3hms s ILE 59 CO 0.17 -0.52 -0.19 -0.75 0.00 0.00 0.00 174.94 173.66 3hms s LYS 60 N -1.85 1.27 0.05 2.79 2.47 -1.00 -5.00 119.74 118.47 3hms s LYS 60 Ca -0.12 -0.85 0.01 0.00 -1.56 0.00 0.00 55.97 53.45 3hms s LYS 60 Cb -0.06 -1.34 -0.03 0.00 -1.46 0.00 0.00 37.83 34.94 3hms s LYS 60 CO -0.02 0.34 -0.05 -0.08 0.16 0.00 0.00 175.35 175.71 3hms s THR 61 N -0.76 0.36 -0.22 3.43 -1.32 -1.26 -0.33 115.64 115.54 3hms s THR 61 Ca 0.06 -1.31 -0.27 0.00 -1.21 0.00 0.00 61.69 58.96 3hms s THR 61 Cb -0.08 -0.85 0.12 0.00 -1.51 0.00 0.00 72.50 70.17 3hms s THR 61 CO 0.01 -0.62 0.97 -0.75 -2.21 0.00 0.00 174.62 172.02 3hms s LYS 62 N -2.38 0.60 0.24 7.08 2.47 -0.82 -4.99 119.74 121.94 3hms s LYS 62 Ca -0.05 0.46 -0.23 0.00 -1.56 0.00 0.00 55.97 54.59 3hms s LYS 62 Cb -0.04 0.29 -0.09 0.00 -1.46 0.00 0.00 37.83 36.53 3hms s LYS 62 CO -0.03 -0.12 0.80 0.15 0.16 0.00 0.00 175.35 176.30 3hms s LYS 63 N -0.30 4.42 0.22 4.03 1.02 -1.26 -0.45 119.74 127.42 3hms s LYS 63 Ca 0.00 1.06 -0.00 0.00 0.02 0.00 0.00 55.97 57.06 3hms s LYS 63 Cb -0.03 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3hms s LYS 63 CO -0.02 0.40 0.17 0.14 -0.92 0.00 0.00 175.35 175.13 3hms s VAL 64 N -1.46 0.00 0.04 3.17 -7.23 0.13 -4.91 120.40 110.14 3hms s VAL 64 Ca 0.43 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3hms s VAL 64 Cb -0.19 -2.49 -0.24 0.00 0.56 0.00 0.00 36.38 34.02 3hms s VAL 64 CO 0.23 0.00 1.00 0.78 -0.31 0.00 0.00 175.10 176.80 3hms h ASN 65 N 2.52 0.17 -5.27 4.85 2.35 -1.98 -3.43 115.58 114.80 3hms h ASN 65 Ca -0.34 -0.22 -0.13 0.00 -0.55 0.00 0.00 56.30 55.06 3hms h ASN 65 Cb 1.25 -0.06 -0.15 0.00 0.05 0.00 0.00 38.32 39.41 3hms h ASN 65 CO 0.50 1.18 -0.62 0.42 -1.65 0.00 0.00 177.43 177.26 3hms s THR 66 N -2.65 0.18 0.33 2.81 -4.23 -1.26 -5.02 115.64 105.80 3hms s THR 66 Ca -0.04 -1.74 0.24 0.00 -1.18 0.00 0.00 61.69 58.98 3hms s THR 66 Cb 0.08 -1.62 0.25 0.00 1.34 0.00 0.00 72.50 72.55 3hms s THR 66 CO 0.84 -0.82 1.97 0.00 -0.54 0.00 0.00 174.62 176.07 3hms h ALA 67 N 3.02 1.22 -0.51 3.99 0.00 -1.98 -2.20 119.26 122.79 3hms h ALA 67 Ca -0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3hms h ALA 67 Cb 1.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3hms h ALA 67 CO 0.63 0.23 0.15 -0.44 0.00 0.00 0.00 179.25 179.82 3hms h ASP 68 N 0.00 0.71 -0.42 0.00 5.19 -1.99 -1.69 116.42 118.22 3hms h ASP 68 Ca -0.00 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 3hms h ASP 68 Cb 0.49 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 3hms h ASP 68 CO 0.02 0.68 0.02 1.56 -3.12 0.00 0.00 179.24 178.40 3hms h GLN 69 N 0.75 0.81 -0.43 3.56 4.20 -1.81 0.48 115.11 122.66 3hms h GLN 69 Ca 0.17 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3hms h GLN 69 Cb 0.23 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3hms h GLN 69 CO -0.01 0.80 0.15 0.00 -0.67 0.00 0.00 178.83 179.11 3hms h ALA 71 N 1.00 0.21 -0.63 0.00 0.00 -1.02 -1.94 119.26 116.88 3hms h ALA 71 Ca 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hms h ALA 71 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hms h ALA 71 CO -0.01 -0.05 0.22 -0.91 0.00 0.00 0.00 179.25 178.50 3hms h ASN 72 N 0.01 0.87 0.37 0.00 2.35 -0.86 -0.92 115.58 117.40 3hms h ASN 72 Ca 0.04 -0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 3hms h ASN 72 Cb 0.43 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3hms h ASN 72 CO 0.01 0.80 -0.60 0.03 -1.65 0.00 0.00 177.43 176.02 3hms h ARG 73 N 0.92 0.22 -0.12 0.81 3.08 -1.27 -2.21 114.38 115.82 3hms h ARG 73 Ca 0.21 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3hms h ARG 73 Cb 0.23 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hms h ARG 73 CO -0.01 0.75 -0.03 0.00 -1.07 0.00 0.00 179.97 179.61 3hms h THR 75 N -0.09 1.29 0.00 0.00 1.35 -1.19 -2.83 112.91 111.43 3hms h THR 75 Ca 0.03 -1.45 -0.14 0.00 -0.55 0.00 0.00 66.41 64.29 3hms h THR 75 Cb 0.46 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3hms h THR 75 CO 0.01 0.47 -0.67 0.03 -0.25 0.00 0.00 175.52 175.11 3hms h ARG 76 N 0.51 0.00 -0.32 4.72 3.08 -1.42 -3.46 114.38 117.49 3hms h ARG 76 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3hms h ARG 76 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3hms h ARG 76 CO 0.07 0.67 -0.04 -1.71 -1.07 0.00 0.00 179.97 177.88 3hms n ASN 77 N -3.64 -3.11 -0.27 7.04 5.15 -0.26 -4.82 115.26 115.36 3hms n ASN 77 Ca -0.01 0.06 0.04 0.00 -0.60 0.00 0.00 54.58 54.08 3hms n ASN 77 Cb 0.68 -2.24 0.18 0.00 -0.53 0.00 0.00 39.78 37.87 3hms n ASN 77 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3hms h LYS 78 N 0.00 0.54 -0.79 1.20 1.57 -1.90 -2.84 116.57 114.35 3hms h LYS 78 Ca -0.05 -0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.20 3hms h LYS 78 Cb 0.57 -0.12 -0.28 0.00 0.08 0.00 0.00 32.23 32.48 3hms h LYS 78 CO 0.07 0.36 0.25 0.41 -0.57 0.00 0.00 179.45 179.97 3hms n GLY 79 N -1.32 5.50 3.04 3.86 0.00 -1.26 -4.96 105.19 110.06 3hms n GLY 79 Ca 0.14 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 3hms n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hms s LEU 80 N -3.55 1.68 0.00 0.99 1.43 -1.07 -5.02 118.68 113.14 3hms s LEU 80 Ca 0.56 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3hms s LEU 80 Cb 0.46 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.80 3hms s LEU 80 CO 0.02 0.04 0.60 -0.81 0.23 0.00 0.00 176.35 176.43 3hms n PRO 81 N 3.81 0.65 -3.80 1.29 -0.04 -1.26 -4.76 135.00 130.89 3hms n PRO 81 Ca -0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.22 3hms n PRO 81 Cb 0.52 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 3hms n PRO 81 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hms s PHE 82 N 0.14 -0.02 -0.38 0.54 -0.12 -1.26 -5.11 117.98 111.77 3hms s PHE 82 Ca 0.00 -0.24 -0.25 0.00 -0.05 0.00 0.00 56.93 56.39 3hms s PHE 82 Cb 0.00 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 3hms s PHE 82 CO 0.00 -0.64 0.89 0.99 -0.05 0.00 0.00 175.22 176.41 3hms s THR 83 N -2.52 4.60 -0.03 -4.49 2.01 -1.26 -4.98 115.64 108.96 3hms s THR 83 Ca 0.18 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 3hms s THR 83 Cb -0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 3hms s THR 83 CO 0.01 -0.56 1.41 0.00 -0.69 0.00 0.00 174.62 174.80 3hms n LYS 85 N 5.76 1.32 -3.66 0.00 5.02 0.20 -4.83 118.16 121.96 3hms n LYS 85 Ca 0.14 -0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 3hms n LYS 85 Cb 0.44 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 3hms n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hms s ALA 86 N -2.51 -1.80 0.09 7.82 0.00 -1.15 -1.41 121.76 122.81 3hms s ALA 86 Ca -0.02 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 3hms s ALA 86 Cb 0.07 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.74 3hms s ALA 86 CO 0.44 -0.93 0.40 -0.59 0.00 0.00 0.00 175.76 175.08 3hms s PHE 87 N -3.08 -0.22 0.01 0.00 -0.12 0.00 -0.66 117.98 113.90 3hms s PHE 87 Ca 0.10 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.08 3hms s PHE 87 Cb -0.00 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 3hms s PHE 87 CO -0.02 -0.65 -0.24 0.08 -0.05 0.00 0.00 175.22 174.34 3hms s VAL 88 N -3.28 2.23 -0.19 -2.49 1.01 -0.12 -0.59 120.40 116.97 3hms s VAL 88 Ca -0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 3hms s VAL 88 Cb 0.01 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 3hms s VAL 88 CO -0.08 0.48 -0.10 0.12 0.00 0.00 0.00 175.10 175.52 3hms s PHE 89 N -0.72 2.88 -0.59 5.22 5.36 -0.36 -1.05 117.98 128.73 3hms s PHE 89 Ca 0.11 -1.02 -0.22 0.00 -0.96 0.00 0.00 56.93 54.84 3hms s PHE 89 Cb -0.10 -2.00 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3hms s PHE 89 CO 0.01 -0.52 0.88 0.34 -1.46 0.00 0.00 175.22 174.47 3hms s ASP 90 N 1.17 6.24 0.34 6.13 -1.08 0.30 -2.10 116.67 127.66 3hms s ASP 90 Ca 0.02 -0.80 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 3hms s ASP 90 Cb -0.14 -2.39 0.62 0.00 -1.46 0.00 0.00 42.92 39.54 3hms s ASP 90 CO -0.03 -1.26 1.99 0.11 0.52 0.00 0.00 175.17 176.50 3hms h LYS 91 N 9.36 0.87 -0.07 4.34 1.57 -1.18 0.42 116.57 131.87 3hms h LYS 91 Ca -0.28 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.32 3hms h LYS 91 Cb 1.08 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.20 3hms h LYS 91 CO 1.11 0.57 -0.47 0.00 -0.57 0.00 0.00 179.45 180.09 3hms h ALA 92 N 1.58 0.15 -0.01 3.86 0.00 -1.92 -3.31 119.26 119.62 3hms h ALA 92 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hms h ALA 92 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hms h ALA 92 CO -0.07 0.32 -0.42 0.54 0.00 0.00 0.00 179.25 179.63 3hms n ARG 93 N -4.28 0.63 -3.58 0.00 1.74 -1.17 -4.95 116.66 105.05 3hms n ARG 93 Ca -0.09 -0.42 -0.23 0.00 -0.77 0.00 0.00 57.85 56.35 3hms n ARG 93 Cb 0.59 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.62 3hms n ARG 93 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hms n LYS 94 N -0.82 -7.62 -4.59 5.56 4.76 0.14 -4.84 118.16 110.75 3hms n LYS 94 Ca 0.09 0.83 -0.34 0.00 -2.87 0.00 0.00 58.31 56.02 3hms n LYS 94 Cb 0.36 -5.87 -0.11 0.00 -1.84 0.00 0.00 35.03 27.58 3hms n LYS 94 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3hms s GLN 95 N -6.13 2.73 -0.20 1.97 0.74 -0.87 -0.69 119.66 117.21 3hms s GLN 95 Ca 0.46 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 55.24 3hms s GLN 95 Cb -0.21 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 3hms s GLN 95 CO 0.73 0.66 0.06 0.00 -0.55 0.00 0.00 175.29 176.19 3hms s LEU 97 N 0.66 3.81 -0.12 0.00 1.43 -0.21 -1.94 118.68 122.30 3hms s LEU 97 Ca 0.03 -1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 51.63 3hms s LEU 97 Cb -0.13 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3hms s LEU 97 CO 0.02 -0.25 0.32 0.26 0.23 0.00 0.00 176.35 176.93 3hms s TRP 98 N 1.19 3.53 0.04 0.29 0.51 0.55 -0.95 118.94 124.09 3hms s TRP 98 Ca -0.06 0.69 0.09 0.00 -2.12 0.00 0.00 56.10 54.70 3hms s TRP 98 Cb -0.20 -2.32 -0.03 0.00 -0.81 0.00 0.00 33.47 30.12 3hms s TRP 98 CO -0.03 0.35 -0.25 -0.06 -0.51 0.00 0.00 176.95 176.46 3hms s PHE 99 N 0.05 2.17 -0.45 -1.98 0.08 0.17 -2.37 117.98 115.65 3hms s PHE 99 Ca 0.19 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.91 3hms s PHE 99 Cb -0.14 -1.31 0.53 0.00 -0.57 0.00 0.00 43.02 41.53 3hms s PHE 99 CO 0.06 0.10 1.39 -0.35 -0.10 0.00 0.00 175.22 176.33 3hms n PRO 100 N 1.87 3.21 -4.02 0.24 -0.04 -1.26 -0.63 135.00 134.38 3hms n PRO 100 Ca -0.17 -2.08 -0.11 0.00 -0.04 0.00 0.00 63.50 61.11 3hms n PRO 100 Cb 0.52 -1.96 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 3hms n PRO 100 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3hms s PHE 101 N -2.18 0.58 0.00 0.54 -0.12 -1.26 -4.75 117.98 110.79 3hms s PHE 101 Ca 0.37 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 3hms s PHE 101 Cb 0.29 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 3hms s PHE 101 CO 0.10 -1.07 0.00 0.27 -0.05 0.00 0.00 175.22 174.47 3hms n ASN 102 N -0.77 0.37 0.03 1.98 0.23 -1.26 -3.93 115.26 111.91 3hms n ASN 102 Ca -0.01 -0.76 0.06 0.00 -0.53 0.00 0.00 54.58 53.34 3hms n ASN 102 Cb 0.62 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.60 3hms n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hms n SER 103 N -2.01 0.14 -1.00 0.53 3.41 -1.26 -2.22 113.62 111.21 3hms n SER 103 Ca 0.00 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3hms n SER 103 Cb 0.00 -0.57 0.18 0.00 -0.26 0.00 0.00 64.21 63.56 3hms n SER 103 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hms n MET 104 N -1.67 2.30 -2.92 4.33 2.81 -1.26 -4.93 117.12 115.78 3hms n MET 104 Ca 0.02 -2.11 -0.32 0.00 -1.81 0.00 0.00 57.70 53.48 3hms n MET 104 Cb 0.13 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 3hms n MET 104 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3hms s SER 105 N -1.37 6.79 0.47 7.83 0.01 -0.94 -5.05 113.70 121.44 3hms s SER 105 Ca 0.33 1.44 -0.22 0.00 1.31 0.00 0.00 55.95 58.81 3hms s SER 105 Cb 0.20 -2.44 -0.08 0.00 0.21 0.00 0.00 66.02 63.91 3hms s SER 105 CO 0.27 -0.32 1.09 -0.44 0.41 0.00 0.00 173.24 174.26 3hms s SER 106 N -2.41 6.27 -0.60 2.44 0.01 -1.26 -3.38 113.70 114.78 3hms s SER 106 Ca 0.57 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.93 3hms s SER 106 Cb -0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3hms s SER 106 CO 0.19 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.61 3hms n GLY 107 N 0.15 0.66 2.97 3.44 0.00 -1.26 -4.86 105.19 106.29 3hms n GLY 107 Ca 0.08 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3hms n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hms s VAL 108 N -2.24 0.60 0.06 1.61 1.01 -1.22 -0.02 120.40 120.20 3hms s VAL 108 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3hms s VAL 108 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3hms s VAL 108 CO 0.00 0.19 -0.15 -0.54 0.00 0.00 0.00 175.10 174.61 3hms s LYS 109 N 0.13 0.90 0.34 2.72 -0.14 -0.15 -4.89 119.74 118.66 3hms s LYS 109 Ca -0.02 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 53.62 3hms s LYS 109 Cb -0.06 -0.93 -0.07 0.00 -1.68 0.00 0.00 37.83 35.09 3hms s LYS 109 CO -0.00 0.22 0.71 0.15 -0.76 0.00 0.00 175.35 175.66 3hms s LYS 110 N -1.42 3.83 -0.03 1.68 1.02 -1.26 0.15 119.74 123.71 3hms s LYS 110 Ca 0.00 0.45 -0.11 0.00 0.02 0.00 0.00 55.97 56.33 3hms s LYS 110 Cb -0.09 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3hms s LYS 110 CO 0.02 0.10 0.25 -2.00 -0.92 0.00 0.00 175.35 172.80 3hms s GLU 111 N -3.42 0.53 0.21 1.68 2.56 -0.72 -4.87 118.70 114.67 3hms s GLU 111 Ca 0.51 -0.11 -0.14 0.00 0.00 0.00 0.00 54.97 55.23 3hms s GLU 111 Cb -0.10 0.24 -0.07 0.00 2.00 0.00 0.00 34.13 36.19 3hms s GLU 111 CO 0.26 -0.13 0.60 0.12 -0.56 0.00 0.00 175.26 175.55 3hms s PHE 112 N -0.98 3.52 -0.29 5.30 2.19 -1.26 -1.11 117.98 125.34 3hms s PHE 112 Ca -0.11 1.08 -0.16 0.00 0.33 0.00 0.00 56.93 58.07 3hms s PHE 112 Cb -0.05 -2.40 0.15 0.00 -1.31 0.00 0.00 43.02 39.41 3hms s PHE 112 CO 0.03 0.32 0.96 0.20 1.83 0.00 0.00 175.22 178.55 3hms s GLY 113 N -1.98 -0.09 0.45 13.12 0.00 -0.94 -4.91 107.32 112.97 3hms s GLY 113 Ca 0.44 3.07 0.10 0.00 0.00 0.00 0.00 44.72 48.34 3hms s GLY 113 CO 0.20 2.75 2.08 0.45 0.00 0.00 0.00 173.10 178.58 3hms h HIS 114 N 6.49 0.35 -0.13 1.90 3.86 -1.98 -2.80 115.15 122.84 3hms h HIS 114 Ca -0.25 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 3hms h HIS 114 Cb 1.17 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.52 3hms h HIS 114 CO 0.13 0.22 0.00 -0.85 0.86 0.00 0.00 177.93 178.29 3hms n GLU 115 N -4.49 1.82 -4.96 2.45 0.00 -1.26 -4.77 120.64 109.42 3hms n GLU 115 Ca 0.02 -1.21 -0.32 0.00 0.00 0.00 0.00 57.16 55.65 3hms n GLU 115 Cb 0.10 -1.44 -0.14 0.00 0.00 0.00 0.00 31.44 29.96 3hms n GLU 115 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3hms s PHE 116 N -1.85 2.54 -0.06 -1.84 0.08 -1.06 -0.64 117.98 115.17 3hms s PHE 116 Ca 0.34 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.15 3hms s PHE 116 Cb 0.19 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.11 3hms s PHE 116 CO 0.29 0.13 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.91 3hms s ASP 117 N -0.88 1.77 -0.16 1.36 1.01 -0.89 -0.97 116.67 117.91 3hms s ASP 117 Ca 0.12 -0.29 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 3hms s ASP 117 Cb -0.10 -0.71 -0.04 0.00 1.01 0.00 0.00 42.92 43.07 3hms s ASP 117 CO 0.01 0.06 0.12 -0.22 0.21 0.00 0.00 175.17 175.35 3hms s LEU 118 N 0.47 4.19 -0.14 1.23 2.96 -0.38 -1.22 118.68 125.78 3hms s LEU 118 Ca -0.11 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3hms s LEU 118 Cb -0.14 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3hms s LEU 118 CO 0.03 0.28 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.94 3hms s TYR 119 N -0.27 1.87 -0.19 5.38 2.02 0.25 -0.00 117.35 126.40 3hms s TYR 119 Ca 0.10 -1.06 -0.03 0.00 -0.37 0.00 0.00 57.07 55.71 3hms s TYR 119 Cb -0.12 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3hms s TYR 119 CO 0.01 -0.61 -0.07 -1.21 -1.57 0.00 0.00 175.55 172.10 3hms s GLU 120 N 1.58 3.39 0.15 -0.62 2.02 -0.26 -0.82 118.70 124.14 3hms s GLU 120 Ca 0.04 -0.64 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 3hms s GLU 120 Cb -0.13 -2.89 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 3hms s GLU 120 CO -0.09 -0.05 1.53 1.21 0.02 0.00 0.00 175.26 177.88 3hms s ASN 121 N 1.08 6.64 0.62 -0.19 3.84 -0.50 -0.04 114.94 126.40 3hms s ASN 121 Ca 0.01 2.54 0.42 0.00 0.21 0.00 0.00 52.86 56.04 3hms s ASN 121 Cb -0.15 -2.59 2.28 0.00 -0.55 0.00 0.00 41.25 40.24 3hms s ASN 121 CO -0.01 -0.79 2.28 0.11 -2.79 0.00 0.00 177.10 175.90 3hms h LYS 122 N 6.90 0.00 0.00 0.43 1.57 -1.59 -2.43 116.57 121.44 3hms h LYS 122 Ca -0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 3hms h LYS 122 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hms h LYS 122 CO 0.90 0.00 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.29 3hms h ASP 123 N 0.00 0.00 -0.09 0.86 3.32 -1.89 -2.96 116.42 115.66 3hms h ASP 123 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hms h ASP 123 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hms h ASP 123 CO 0.00 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 3hms n TYR 124 N -3.35 0.13 -3.15 4.55 4.02 -0.92 -5.00 117.16 113.44 3hms n TYR 124 Ca -0.02 -0.56 -0.39 0.00 -0.01 0.00 0.00 57.90 56.92 3hms n TYR 124 Cb 0.19 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.40 3hms n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hms s ILE 125 N -1.23 5.08 0.00 -0.72 1.01 -1.12 -5.03 121.20 119.18 3hms s ILE 125 Ca 0.09 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3hms s ILE 125 Cb 0.06 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3hms s ILE 125 CO 0.04 0.22 0.00 0.54 0.00 0.00 0.00 174.94 175.74