#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahk s ALA 41 N 0.00 2.78 1.05 0.00 0.00 -1.26 -5.01 121.76 119.32 2ahk s ALA 41 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2ahk s ALA 41 Cb 0.00 -3.35 0.22 0.00 0.00 0.00 0.00 23.12 19.99 2ahk s ALA 41 CO 0.00 -0.69 1.07 -2.14 0.00 0.00 0.00 175.76 174.00 2ahk s PRO 42 N -3.15 -0.03 0.68 0.00 0.02 -1.26 -5.00 135.00 126.27 2ahk s PRO 42 Ca 0.70 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 2ahk s PRO 42 Cb -0.24 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2ahk s PRO 42 CO 0.28 -3.15 1.06 -1.21 -0.33 0.00 0.00 177.00 173.65 2ahk s GLU 43 N -4.64 2.94 0.77 5.54 0.41 -1.26 -4.59 118.70 117.88 2ahk s GLU 43 Ca 0.67 1.01 -0.12 0.00 -0.41 0.00 0.00 54.97 56.13 2ahk s GLU 43 Cb -0.23 -1.99 0.05 0.00 -1.78 0.00 0.00 34.13 30.19 2ahk s GLU 43 CO 0.61 -1.10 1.10 -1.54 -0.49 0.00 0.00 175.26 173.85 2ahk s SER 44 N -3.60 4.83 0.10 -0.19 1.04 -1.26 -4.78 113.70 109.85 2ahk s SER 44 Ca 0.59 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 58.06 2ahk s SER 44 Cb -0.15 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.07 2ahk s SER 44 CO 0.52 -1.74 0.40 0.72 0.98 0.00 0.00 173.24 174.12 2ahk s PHE 45 N -3.26 -0.21 -0.29 5.02 -0.12 -0.51 -4.95 117.98 113.66 2ahk s PHE 45 Ca 0.60 -0.04 -0.12 0.00 -0.05 0.00 0.00 56.93 57.32 2ahk s PHE 45 Cb -0.13 0.24 0.11 0.00 -0.63 0.00 0.00 43.02 42.62 2ahk s PHE 45 CO 0.53 -0.67 0.65 0.34 -0.05 0.00 0.00 175.22 176.02 2ahk s ASP 46 N -2.62 -1.04 0.18 1.98 -1.08 -1.26 -1.23 116.67 111.60 2ahk s ASP 46 Ca 0.01 1.52 -0.24 0.00 -0.52 0.00 0.00 52.55 53.32 2ahk s ASP 46 Cb 0.01 1.97 0.05 0.00 -1.46 0.00 0.00 42.92 43.50 2ahk s ASP 46 CO -0.10 -0.23 0.89 -1.83 0.52 0.00 0.00 175.17 174.43 2ahk s GLU 47 N 2.49 1.32 -0.27 4.34 -1.05 -0.81 -5.03 118.70 119.70 2ahk s GLU 47 Ca -0.07 -0.72 -0.07 0.00 -0.15 0.00 0.00 54.97 53.96 2ahk s GLU 47 Cb -0.10 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 2ahk s GLU 47 CO -0.19 -0.60 0.08 0.08 0.95 0.00 0.00 175.26 175.57 2ahk s VAL 48 N -3.44 4.23 -0.18 1.83 1.01 -1.26 -1.04 120.40 121.54 2ahk s VAL 48 Ca 0.11 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2ahk s VAL 48 Cb -0.02 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2ahk s VAL 48 CO 0.03 0.25 -0.19 -0.47 0.00 0.00 0.00 175.10 174.71 2ahk s TYR 49 N 1.58 2.79 -1.32 5.22 5.04 0.16 -4.70 117.35 126.12 2ahk s TYR 49 Ca 0.05 -1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 53.07 2ahk s TYR 49 Cb -0.16 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.22 2ahk s TYR 49 CO 0.03 -0.79 0.64 1.63 -1.34 0.00 0.00 175.55 175.72 2ahk n LYS 50 N 4.63 -4.25 -0.80 4.97 5.02 -1.26 -1.44 118.16 125.03 2ahk n LYS 50 Ca -0.21 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2ahk n LYS 50 Cb 0.50 -4.97 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 2ahk n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ahk n GLY 51 N -1.67 0.48 3.39 0.72 0.00 -1.26 -4.98 105.19 101.87 2ahk n GLY 51 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 2ahk n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ahk s ARG 52 N -0.55 1.79 -0.23 1.61 0.52 -0.52 -5.09 118.95 116.47 2ahk s ARG 52 Ca 0.00 -1.13 -0.21 0.00 -0.52 0.00 0.00 55.73 53.87 2ahk s ARG 52 Cb 0.00 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 2ahk s ARG 52 CO 0.00 0.50 0.67 0.50 0.02 0.00 0.00 175.30 177.00 2ahk s ARG 53 N -1.51 4.16 -0.07 3.54 3.52 -1.26 0.35 118.95 127.68 2ahk s ARG 53 Ca 0.13 0.66 0.04 0.00 -0.13 0.00 0.00 55.73 56.43 2ahk s ARG 53 Cb -0.10 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2ahk s ARG 53 CO 0.04 -0.38 -0.18 0.96 -0.81 0.00 0.00 175.30 174.93 2ahk s ILE 54 N 2.37 2.67 0.03 4.11 -4.36 -0.21 -0.09 121.20 125.74 2ahk s ILE 54 Ca 0.29 -0.84 0.03 0.00 -0.26 0.00 0.00 60.65 59.86 2ahk s ILE 54 Cb -0.16 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.50 2ahk s ILE 54 CO 0.09 0.57 -0.09 -1.10 0.24 0.00 0.00 174.94 174.65 2ahk s GLN 55 N -0.29 0.59 0.01 0.37 -0.21 -0.51 -1.92 119.66 117.71 2ahk s GLN 55 Ca 0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 55.36 54.74 2ahk s GLN 55 Cb -0.13 -0.47 -0.01 0.00 1.00 0.00 0.00 33.01 33.40 2ahk s GLN 55 CO 0.03 0.10 0.00 0.20 -2.12 0.00 0.00 175.29 173.50 2ahk s GLY 56 N -1.19 0.17 -0.12 3.09 0.00 -0.37 -0.32 107.32 108.59 2ahk s GLY 56 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 2ahk s GLY 56 CO 0.01 -0.49 0.81 1.09 0.00 0.00 0.00 173.10 174.51 2ahk s ARG 57 N -1.21 0.86 0.41 2.90 1.70 0.18 -1.42 118.95 122.37 2ahk s ARG 57 Ca -0.13 0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 55.17 2ahk s ARG 57 Cb -0.08 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 2ahk s ARG 57 CO -0.00 -0.25 1.27 -1.25 -1.08 0.00 0.00 175.30 173.98 2ahk s PRO 58 N -0.96 3.93 0.00 3.89 0.04 -1.26 -0.20 135.00 140.44 2ahk s PRO 58 Ca -0.06 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2ahk s PRO 58 Cb -0.01 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2ahk s PRO 58 CO 0.06 -0.50 0.00 0.00 0.04 0.00 0.00 177.00 176.60 2ahk n ALA 59 N 0.02 0.00 1.65 8.56 0.00 -1.26 -4.79 120.51 124.69 2ahk n ALA 59 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2ahk n ALA 59 Cb 0.45 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.44 2ahk n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ahk n GLY 71 N 2.56 -0.39 3.22 0.00 0.00 -1.26 -5.09 105.19 104.21 2ahk n GLY 71 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 2ahk n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ahk s TYR 72 N -1.93 -0.34 0.01 1.61 5.04 -1.26 -4.97 117.35 115.50 2ahk s TYR 72 Ca 0.34 0.82 0.08 0.00 -2.44 0.00 0.00 57.07 55.88 2ahk s TYR 72 Cb 0.17 0.12 -0.02 0.00 0.35 0.00 0.00 41.96 42.58 2ahk s TYR 72 CO 0.27 -0.19 -0.26 -1.21 -1.34 0.00 0.00 175.55 172.83 2ahk s GLU 73 N 0.05 1.94 0.04 4.97 2.02 0.73 -4.84 118.70 123.62 2ahk s GLU 73 Ca -0.01 -1.00 0.06 0.00 0.02 0.00 0.00 54.97 54.04 2ahk s GLU 73 Cb -0.03 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 2ahk s GLU 73 CO 0.01 0.53 -0.16 0.08 0.02 0.00 0.00 175.26 175.73 2ahk s VAL 74 N -0.69 1.30 0.00 2.63 1.01 -1.26 -0.64 120.40 122.75 2ahk s VAL 74 Ca 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2ahk s VAL 74 Cb -0.10 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2ahk s VAL 74 CO 0.00 0.05 -0.07 -0.36 0.00 0.00 0.00 175.10 174.73 2ahk s PHE 75 N -0.87 0.61 -0.25 5.22 0.40 0.56 -0.11 117.98 123.55 2ahk s PHE 75 Ca 0.03 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 2ahk s PHE 75 Cb -0.08 -0.39 0.06 0.00 0.51 0.00 0.00 43.02 43.11 2ahk s PHE 75 CO 0.02 -0.01 -0.10 0.08 0.70 0.00 0.00 175.22 175.90 2ahk s VAL 76 N -0.28 2.06 -1.45 -0.44 1.01 0.12 -1.42 120.40 119.99 2ahk s VAL 76 Ca 0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 2ahk s VAL 76 Cb -0.03 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2ahk s VAL 76 CO -0.00 -0.02 0.95 0.47 0.00 0.00 0.00 175.10 176.50 2ahk n ASP 77 N 4.48 -5.61 0.00 3.32 8.00 0.88 -1.47 116.55 126.14 2ahk n ASP 77 Ca -0.14 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.80 2ahk n ASP 77 Cb 0.43 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 2ahk n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ahk n GLY 78 N -1.74 2.38 3.68 0.44 0.00 -1.26 -5.02 105.19 103.67 2ahk n GLY 78 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2ahk n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ahk s VAL 79 N -2.30 5.20 0.33 1.61 1.01 -0.54 -5.01 120.40 120.70 2ahk s VAL 79 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2ahk s VAL 79 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2ahk s VAL 79 CO 0.00 0.27 1.39 -1.58 0.00 0.00 0.00 175.10 175.18 2ahk s GLN 80 N 1.14 4.27 -0.19 2.72 0.74 -1.26 0.14 119.66 127.22 2ahk s GLN 80 Ca 0.20 2.33 -0.01 0.00 0.05 0.00 0.00 55.36 57.93 2ahk s GLN 80 Cb -0.15 -3.05 -0.00 0.00 1.10 0.00 0.00 33.01 30.91 2ahk s GLN 80 CO 0.08 -0.33 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.21 2ahk s LEU 81 N -1.58 2.61 0.08 3.68 2.96 0.85 -4.86 118.68 122.42 2ahk s LEU 81 Ca 0.52 -0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 53.66 2ahk s LEU 81 Cb -0.42 -1.63 -0.08 0.00 0.50 0.00 0.00 46.19 44.56 2ahk s LEU 81 CO 0.54 0.03 1.55 -2.28 -1.32 0.00 0.00 176.35 174.87 2ahk s HIS 82 N 1.17 2.75 0.08 5.38 5.65 -1.26 -4.13 115.29 124.92 2ahk s HIS 82 Ca 0.01 0.57 0.03 0.00 0.25 0.00 0.00 55.06 55.92 2ahk s HIS 82 Cb -0.14 -3.86 -0.03 0.00 -1.18 0.00 0.00 32.58 27.36 2ahk s HIS 82 CO -0.04 -3.29 -0.09 0.14 -0.65 0.00 0.00 174.74 170.81 2ahk s VAL 83 N 2.09 0.79 0.02 0.89 -7.23 -1.26 -1.22 120.40 114.48 2ahk s VAL 83 Ca 0.70 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2ahk s VAL 83 Cb -0.38 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2ahk s VAL 83 CO 0.31 -0.57 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.45 2ahk s MET 84 N -2.66 0.31 -0.17 4.82 -1.94 0.55 -4.98 119.30 115.23 2ahk s MET 84 Ca 0.03 -0.54 -0.08 0.00 -1.71 0.00 0.00 55.69 53.39 2ahk s MET 84 Cb -0.03 0.00 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 2ahk s MET 84 CO -0.01 -0.02 0.08 0.50 -0.01 0.00 0.00 175.02 175.56 2ahk s ARG 85 N -1.24 3.91 0.53 2.03 3.52 -1.26 -1.68 118.95 124.75 2ahk s ARG 85 Ca -0.12 -0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 2ahk s ARG 85 Cb -0.08 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2ahk s ARG 85 CO -0.01 0.36 0.86 -0.80 -0.81 0.00 0.00 175.30 174.90 2ahk s ASN 86 N 0.14 6.20 0.35 -2.12 0.01 0.50 -4.97 114.94 115.05 2ahk s ASN 86 Ca 0.06 1.04 0.08 0.00 -0.71 0.00 0.00 52.86 53.32 2ahk s ASN 86 Cb -0.12 -2.26 0.79 0.00 0.41 0.00 0.00 41.25 40.07 2ahk s ASN 86 CO 0.00 -0.69 1.89 0.00 -1.51 0.00 0.00 177.10 176.79 2ahk h ALA 87 N 0.05 1.79 0.00 0.60 0.00 -1.99 -0.63 119.26 119.08 2ahk h ALA 87 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ahk h ALA 87 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ahk h ALA 87 CO 0.62 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 2ahk n ASP 88 N -4.54 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.62 2ahk n ASP 88 Ca 0.16 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2ahk n ASP 88 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2ahk n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ahk n GLY 89 N 0.66 1.38 3.86 6.12 0.00 -0.24 -5.06 105.19 111.90 2ahk n GLY 89 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2ahk n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ahk s SER 90 N -2.48 3.40 0.14 1.61 1.04 -1.26 -4.74 113.70 111.41 2ahk s SER 90 Ca 0.00 0.60 0.04 0.00 0.48 0.00 0.00 55.95 57.07 2ahk s SER 90 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2ahk s SER 90 CO 0.00 -2.58 -0.10 0.26 0.98 0.00 0.00 173.24 171.80 2ahk s TRP 91 N -3.58 1.20 0.05 5.02 0.52 0.21 -0.37 118.94 121.98 2ahk s TRP 91 Ca 0.68 -0.78 -0.06 0.00 0.02 0.00 0.00 56.10 55.96 2ahk s TRP 91 Cb -0.09 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.60 2ahk s TRP 91 CO 0.52 0.04 0.11 0.96 0.02 0.00 0.00 176.95 178.61 2ahk s ILE 92 N -3.33 0.15 0.44 2.03 -4.36 -0.68 -0.41 121.20 115.04 2ahk s ILE 92 Ca 0.15 -1.21 0.04 0.00 -0.26 0.00 0.00 60.65 59.37 2ahk s ILE 92 Cb 0.03 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.57 2ahk s ILE 92 CO -0.00 -0.67 0.02 -0.94 0.24 0.00 0.00 174.94 173.59 2ahk s SER 93 N -2.45 3.70 0.45 4.36 1.04 -1.25 -0.33 113.70 119.23 2ahk s SER 93 Ca -0.00 -1.52 0.23 0.00 0.48 0.00 0.00 55.95 55.13 2ahk s SER 93 Cb 0.02 0.11 1.08 0.00 0.10 0.00 0.00 66.02 67.33 2ahk s SER 93 CO -0.07 -0.68 1.92 1.62 0.98 0.00 0.00 173.24 177.01 2ahk h VAL 94 N 1.64 0.74 -0.26 5.02 3.04 -1.53 -1.62 116.25 123.28 2ahk h VAL 94 Ca -0.43 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 2ahk h VAL 94 Cb 1.27 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 2ahk h VAL 94 CO 0.74 0.22 0.00 1.33 -1.01 0.00 0.00 177.57 178.86 2ahk n VAL 95 N -3.66 0.34 -2.71 1.51 0.24 -1.26 -4.12 118.33 108.67 2ahk n VAL 95 Ca -0.01 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.34 61.82 2ahk n VAL 95 Cb 0.35 0.28 0.09 0.00 -1.47 0.00 0.00 33.84 33.10 2ahk n VAL 95 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ahk n SER 96 N 0.40 -1.97 0.00 -1.34 3.41 -0.99 -4.96 113.62 108.17 2ahk n SER 96 Ca 0.14 -2.92 0.04 0.00 -0.26 0.00 0.00 58.87 55.87 2ahk n SER 96 Cb 0.30 1.48 0.25 0.00 -0.26 0.00 0.00 64.21 65.98 2ahk n SER 96 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2ahk n HIS 97 N 0.02 0.00 -0.84 7.33 -0.00 -0.64 -2.93 115.22 118.16 2ahk n HIS 97 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.72 2ahk n HIS 97 Cb 0.75 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.75 2ahk n HIS 97 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ahk n TYR 98 N -0.68 0.00 -3.73 1.57 4.02 -1.26 -4.95 117.16 112.13 2ahk n TYR 98 Ca 0.06 -0.25 -0.29 0.00 -0.01 0.00 0.00 57.90 57.41 2ahk n TYR 98 Cb 0.03 -0.04 -0.13 0.00 -0.02 0.00 0.00 39.34 39.18 2ahk n TYR 98 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2ahk s ASP 99 N -0.72 3.67 0.31 7.72 2.15 -1.15 -5.11 116.67 123.54 2ahk s ASP 99 Ca 0.03 -2.87 -0.29 0.00 0.43 0.00 0.00 52.55 49.85 2ahk s ASP 99 Cb 0.03 -1.12 -0.11 0.00 -0.30 0.00 0.00 42.92 41.42 2ahk s ASP 99 CO 0.00 -0.23 1.45 -2.16 -0.17 0.00 0.00 175.17 174.06 2ahk s PRO 100 N 0.02 4.22 0.18 4.34 0.04 -1.26 -4.78 135.00 137.76 2ahk s PRO 100 Ca 0.20 2.41 0.10 0.00 0.04 0.00 0.00 61.00 63.74 2ahk s PRO 100 Cb -0.19 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2ahk s PRO 100 CO -0.04 -0.43 -0.20 0.14 0.04 0.00 0.00 177.00 176.51 2ahk s VAL 101 N -0.61 2.01 0.36 -0.36 -7.23 0.45 -4.91 120.40 110.11 2ahk s VAL 101 Ca 0.55 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2ahk s VAL 101 Cb -0.44 -1.95 0.30 0.00 0.56 0.00 0.00 36.38 34.86 2ahk s VAL 101 CO 0.52 -0.26 1.94 1.55 -0.31 0.00 0.00 175.10 178.54 2ahk h PRO 102 N 3.20 0.72 -4.46 4.82 0.13 -1.93 0.60 132.00 135.08 2ahk h PRO 102 Ca -0.43 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 2ahk h PRO 102 Cb 1.21 -0.16 -0.15 0.00 0.13 0.00 0.00 31.00 32.03 2ahk h PRO 102 CO 0.50 0.48 -0.58 0.95 -0.23 0.00 0.00 178.00 179.12 2ahk s THR 103 N -5.67 0.03 0.26 1.56 -4.23 -1.26 -4.41 115.64 101.91 2ahk s THR 103 Ca -0.10 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 2ahk s THR 103 Cb 0.20 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.91 2ahk s THR 103 CO 0.78 -0.13 1.88 -0.65 -0.54 0.00 0.00 174.62 175.95 2ahk h PRO 104 N 2.66 1.14 -0.43 3.99 0.11 -1.94 -1.34 132.00 136.17 2ahk h PRO 104 Ca -0.35 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2ahk h PRO 104 Cb 1.24 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2ahk h PRO 104 CO 0.53 0.84 -0.03 -0.09 -0.21 0.00 0.00 178.00 179.04 2ahk h ARG 105 N 1.14 0.72 -0.56 1.05 2.43 -1.96 -0.16 114.38 117.04 2ahk h ARG 105 Ca 0.29 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2ahk h ARG 105 Cb 0.04 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2ahk h ARG 105 CO -0.04 0.76 0.12 0.00 -1.51 0.00 0.00 179.97 179.29 2ahk h ALA 106 N 1.29 1.16 -0.42 2.80 0.00 -1.79 -0.21 119.26 122.09 2ahk h ALA 106 Ca 0.13 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2ahk h ALA 106 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ahk h ALA 106 CO 0.02 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.56 2ahk h ALA 107 N 1.29 0.70 -0.53 0.00 0.00 -0.36 -0.58 119.26 119.78 2ahk h ALA 107 Ca 0.18 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2ahk h ALA 107 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ahk h ALA 107 CO 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 2ahk h ALA 108 N 0.89 0.76 -0.29 0.00 0.00 -0.68 -0.97 119.26 118.98 2ahk h ALA 108 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2ahk h ALA 108 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ahk h ALA 108 CO 0.08 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.72 2ahk h ARG 109 N 0.90 0.57 -0.40 0.00 3.08 -0.93 -1.49 114.38 116.12 2ahk h ARG 109 Ca 0.14 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 2ahk h ARG 109 Cb 0.70 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2ahk h ARG 109 CO 0.05 0.79 -0.15 0.00 -1.07 0.00 0.00 179.97 179.60 2ahk h ALA 110 N 1.20 0.99 -0.10 0.04 0.00 -0.81 -0.99 119.26 119.59 2ahk h ALA 110 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ahk h ALA 110 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ahk h ALA 110 CO 0.06 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.92 2ahk h ALA 111 N 1.18 0.14 -0.97 0.00 0.00 -0.76 -0.71 119.26 118.14 2ahk h ALA 111 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ahk h ALA 111 Cb 0.62 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2ahk h ALA 111 CO 0.04 -0.21 0.64 0.28 0.00 0.00 0.00 179.25 180.00 2ahk h VAL 112 N -0.06 1.22 0.21 0.00 2.07 -1.15 0.16 116.25 118.70 2ahk h VAL 112 Ca 0.03 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2ahk h VAL 112 Cb 0.29 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2ahk h VAL 112 CO 0.00 0.23 -0.11 0.44 0.02 0.00 0.00 177.57 178.16 2ahk h ASP 113 N 1.28 -0.25 -0.73 0.57 3.32 -0.93 -2.79 116.42 116.88 2ahk h ASP 113 Ca 0.37 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 2ahk h ASP 113 Cb -0.09 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2ahk h ASP 113 CO -0.09 -0.18 0.42 -0.08 -1.72 0.00 0.00 179.24 177.59 2ahk h GLU 114 N -0.29 1.00 0.00 3.56 4.22 -0.56 -3.04 114.58 119.46 2ahk h GLU 114 Ca -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.28 2ahk h GLU 114 Cb 0.23 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ahk h GLU 114 CO 0.04 0.73 -0.16 -0.07 -2.18 0.00 0.00 179.01 177.37 2ahk h LEU 115 N 1.00 0.00 -1.97 1.64 3.38 -0.60 -3.47 115.31 115.29 2ahk h LEU 115 Ca 0.26 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.70 2ahk h LEU 115 Cb -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 2ahk h LEU 115 CO -0.05 0.16 -0.91 0.00 0.09 0.00 0.00 178.44 177.74 2ahk n GLN 116 N -3.70 -2.75 0.00 1.13 6.02 -1.06 -0.97 117.38 116.04 2ahk n GLN 116 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2ahk n GLN 116 Cb 0.28 -4.31 0.00 0.00 1.02 0.00 0.00 30.24 27.23 2ahk n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ahk n GLY 117 N -2.11 2.30 3.74 1.08 0.00 -1.26 -5.03 105.19 103.91 2ahk n GLY 117 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2ahk n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ahk s ALA 118 N -2.31 3.44 0.37 4.61 0.00 -0.14 -4.99 121.76 122.73 2ahk s ALA 118 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 2ahk s ALA 118 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2ahk s ALA 118 CO 0.00 -0.35 1.37 -2.14 0.00 0.00 0.00 175.76 174.64 2ahk s PRO 119 N -0.52 4.15 0.38 0.00 0.02 -1.26 -4.89 135.00 132.89 2ahk s PRO 119 Ca 0.51 2.33 -0.24 0.00 0.02 0.00 0.00 61.00 63.62 2ahk s PRO 119 Cb -0.33 -2.95 -0.09 0.00 0.02 0.00 0.00 34.50 31.15 2ahk s PRO 119 CO 0.38 -0.40 1.03 -0.51 -0.33 0.00 0.00 177.00 177.17 2ahk s LEU 120 N -2.08 4.18 -0.12 -5.54 1.43 -1.26 -5.03 118.68 110.25 2ahk s LEU 120 Ca 0.52 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 2ahk s LEU 120 Cb -0.42 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 2ahk s LEU 120 CO 0.56 -0.40 0.32 -0.76 0.23 0.00 0.00 176.35 176.29 2ahk s LEU 121 N -2.53 4.31 0.00 1.79 1.43 -1.26 -4.99 118.68 117.43 2ahk s LEU 121 Ca 0.56 0.63 0.14 0.00 -1.03 0.00 0.00 54.13 54.43 2ahk s LEU 121 Cb -0.21 -2.41 0.84 0.00 0.03 0.00 0.00 46.19 44.44 2ahk s LEU 121 CO 0.26 0.17 1.26 -0.81 0.23 0.00 0.00 176.35 177.47