#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0h n ALA 2 N 0.00 2.96 -2.67 -5.12 0.00 -1.26 -5.07 120.51 109.35 1k0h n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1k0h n ALA 2 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1k0h n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k0h n ASP 3 N -3.30 -1.44 -4.89 0.00 2.03 -1.26 -5.17 116.55 102.53 1k0h n ASP 3 Ca 0.00 -1.47 -0.23 0.00 0.52 0.00 0.00 54.79 53.61 1k0h n ASP 3 Cb 0.00 0.77 0.06 0.00 -0.72 0.00 0.00 41.12 41.23 1k0h n ASP 3 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1k0h s PHE 4 N 0.52 2.57 -0.29 -0.67 -0.12 -1.26 -5.08 117.98 113.64 1k0h s PHE 4 Ca 0.25 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.18 1k0h s PHE 4 Cb 0.17 -2.92 0.07 0.00 -0.63 0.00 0.00 43.02 39.71 1k0h s PHE 4 CO -0.10 -1.20 -0.04 0.34 -0.05 0.00 0.00 175.22 174.17 1k0h s ASP 5 N -4.52 4.62 -0.22 1.98 2.15 -1.26 -5.09 116.67 114.34 1k0h s ASP 5 Ca 0.60 -1.61 -0.04 0.00 0.43 0.00 0.00 52.55 51.94 1k0h s ASP 5 Cb -0.09 -1.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.92 1k0h s ASP 5 CO 0.41 -0.26 -0.05 0.21 -0.17 0.00 0.00 175.17 175.31 1k0h s ASN 6 N 1.10 4.29 -0.07 -0.34 2.47 -1.26 -4.97 114.94 116.15 1k0h s ASN 6 Ca -0.03 -0.39 -0.07 0.00 0.42 0.00 0.00 52.86 52.80 1k0h s ASN 6 Cb -0.20 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 37.83 1k0h s ASN 6 CO -0.05 -0.01 -0.15 0.18 -3.72 0.00 0.00 177.10 173.34 1k0h n LEU 7 N 4.73 1.17 -3.72 3.21 4.32 -1.26 -5.05 117.00 120.41 1k0h n LEU 7 Ca -0.18 0.19 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1k0h n LEU 7 Cb 0.51 -0.44 -0.14 0.00 -1.62 0.00 0.00 43.42 41.73 1k0h n LEU 7 CO 0.29 -0.16 -0.21 0.72 -1.22 0.00 0.00 177.39 176.81 1k0h s PHE 8 N -2.31 -0.21 0.06 -1.77 -0.71 -1.26 -4.92 117.98 106.86 1k0h s PHE 8 Ca -0.15 0.59 -0.27 0.00 -1.04 0.00 0.00 56.93 56.06 1k0h s PHE 8 Cb 0.04 -0.11 -0.13 0.00 -1.21 0.00 0.00 43.02 41.61 1k0h s PHE 8 CO 0.20 -0.22 1.42 -0.44 -1.34 0.00 0.00 175.22 174.84 1k0h h ASP 9 N 7.59 -1.03 0.00 1.98 3.32 -1.95 -3.48 116.42 122.85 1k0h h ASP 9 Ca -0.33 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1k0h h ASP 9 Cb 1.13 0.33 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1k0h h ASP 9 CO 0.33 -0.52 0.00 0.00 -1.72 0.00 0.00 179.24 177.33 1k0h n ALA 10 N -2.66 0.00 -1.95 3.45 0.00 -1.26 -4.97 120.51 113.13 1k0h n ALA 10 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1k0h n ALA 10 Cb 0.35 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.92 1k0h n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0h n ALA 11 N 0.00 3.77 -3.00 0.00 0.00 -1.26 -5.04 120.51 114.98 1k0h n ALA 11 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1k0h n ALA 11 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1k0h n ALA 11 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1k0h n ILE 12 N -0.73 0.00 -3.88 0.00 0.13 -1.26 -4.97 119.36 108.64 1k0h n ILE 12 Ca 0.23 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.63 1k0h n ILE 12 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.64 1k0h n ILE 12 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1k0h n ALA 13 N -3.00 -2.06 -1.26 1.51 0.00 -1.26 -4.73 120.51 109.71 1k0h n ALA 13 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1k0h n ALA 13 Cb 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 19.45 17.75 1k0h n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k0h n ARG 14 N -4.36 2.55 -2.35 0.00 1.74 -1.26 -4.94 116.66 108.04 1k0h n ARG 14 Ca -0.29 -3.02 -0.04 0.00 -0.77 0.00 0.00 57.85 53.73 1k0h n ARG 14 Cb 0.68 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k0h n ALA 15 N -0.74 -3.18 -1.25 7.54 0.00 -1.26 -4.45 120.51 117.16 1k0h n ALA 15 Ca 0.58 1.61 0.12 0.00 0.00 0.00 0.00 53.44 55.75 1k0h n ALA 15 Cb 0.68 -3.28 -0.03 0.00 0.00 0.00 0.00 19.45 16.82 1k0h n ALA 15 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k0h n ASP 16 N 1.49 -7.43 -3.54 0.00 -0.08 -1.26 -3.75 116.55 101.97 1k0h n ASP 16 Ca -0.26 0.94 -0.39 0.00 -1.51 0.00 0.00 54.79 53.57 1k0h n ASP 16 Cb 0.40 -2.65 -0.04 0.00 2.34 0.00 0.00 41.12 41.17 1k0h n ASP 16 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k0h n GLU 17 N -3.33 1.81 -3.06 -0.67 4.71 -1.26 -4.53 120.64 114.31 1k0h n GLU 17 Ca 0.01 -1.86 -0.09 0.00 -0.01 0.00 0.00 57.16 55.21 1k0h n GLU 17 Cb 0.40 -2.87 0.01 0.00 -1.01 0.00 0.00 31.44 27.97 1k0h n GLU 17 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1k0h n THR 18 N 5.50 -6.71 -1.54 2.62 -2.24 -1.25 -4.62 114.28 106.04 1k0h n THR 18 Ca 0.49 0.88 -0.27 0.00 -2.27 0.00 0.00 64.05 62.88 1k0h n THR 18 Cb 0.35 -4.92 -0.09 0.00 -2.10 0.00 0.00 70.33 63.57 1k0h n THR 18 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1k0h n ILE 19 N 0.60 -0.04 -4.34 2.28 5.41 -1.25 -4.86 119.36 117.17 1k0h n ILE 19 Ca 0.00 -0.55 -0.16 0.00 1.00 0.00 0.00 62.75 63.04 1k0h n ILE 19 Cb 0.38 -1.86 -0.04 0.00 -0.71 0.00 0.00 39.64 37.41 1k0h n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1k0h n ARG 20 N 8.44 0.87 0.00 0.38 5.12 -1.26 -5.13 116.66 125.07 1k0h n ARG 20 Ca 0.48 -2.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.30 1k0h n ARG 20 Cb 0.38 0.98 0.00 0.00 -1.16 0.00 0.00 32.46 32.67 1k0h n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k0h n GLY 21 N 0.70 0.16 3.81 -0.13 0.00 -1.26 -5.12 105.19 103.36 1k0h n GLY 21 Ca -0.06 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1k0h n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k0h n TYR 22 N 7.62 -1.88 0.00 1.61 4.02 -1.26 -4.77 117.16 122.50 1k0h n TYR 22 Ca 0.00 -2.13 0.00 0.00 -0.01 0.00 0.00 57.90 55.76 1k0h n TYR 22 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1k0h n TYR 22 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1k0h n MET 23 N -2.12 0.00 -3.93 -0.72 2.81 -1.26 -4.77 117.12 107.13 1k0h n MET 23 Ca 0.12 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.74 1k0h n MET 23 Cb 0.59 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.10 1k0h n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k0h n GLY 24 N 0.00 -0.31 3.82 3.03 0.00 -1.26 -4.93 105.19 105.54 1k0h n GLY 24 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1k0h n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k0h s THR 25 N -3.70 4.97 -0.07 2.61 -1.32 -1.26 -5.04 115.64 111.83 1k0h s THR 25 Ca 0.21 0.94 -0.00 0.00 -1.21 0.00 0.00 61.69 61.63 1k0h s THR 25 Cb -0.11 -3.77 0.02 0.00 -1.51 0.00 0.00 72.50 67.14 1k0h s THR 25 CO 0.87 0.55 -0.04 -0.44 -2.21 0.00 0.00 174.62 173.34 1k0h s SER 26 N -0.91 1.55 0.13 8.08 0.01 -1.26 -3.02 113.70 118.27 1k0h s SER 26 Ca 0.25 -0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.42 1k0h s SER 26 Cb -0.17 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1k0h s SER 26 CO 0.14 -0.11 -0.19 0.00 0.41 0.00 0.00 173.24 173.49 1k0h s ALA 27 N 1.45 1.82 -0.06 1.44 0.00 0.28 -1.73 121.76 124.96 1k0h s ALA 27 Ca -0.02 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1k0h s ALA 27 Cb -0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 1k0h s ALA 27 CO -0.03 0.28 -0.19 0.99 0.00 0.00 0.00 175.76 176.80 1k0h s THR 28 N -1.60 1.62 -0.25 0.00 2.01 0.46 0.17 115.64 118.05 1k0h s THR 28 Ca 0.10 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 1k0h s THR 28 Cb -0.08 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1k0h s THR 28 CO 0.05 0.46 0.16 -0.63 -0.69 0.00 0.00 174.62 173.97 1k0h s ILE 29 N 0.20 5.21 -0.34 1.82 -1.09 0.42 0.12 121.20 127.55 1k0h s ILE 29 Ca -0.09 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 1k0h s ILE 29 Cb -0.14 -3.45 0.10 0.00 -1.58 0.00 0.00 42.46 37.40 1k0h s ILE 29 CO 0.04 0.32 0.10 0.28 -1.23 0.00 0.00 174.94 174.44 1k0h s THR 30 N 1.33 1.61 0.28 2.92 -1.32 0.29 -1.44 115.64 119.32 1k0h s THR 30 Ca 0.07 -1.99 0.12 0.00 -1.21 0.00 0.00 61.69 58.67 1k0h s THR 30 Cb -0.15 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 1k0h s THR 30 CO 0.07 -0.67 -0.19 -0.94 -2.21 0.00 0.00 174.62 170.68 1k0h s SER 31 N 1.12 3.59 0.59 8.08 1.04 -1.26 -2.87 113.70 123.99 1k0h s SER 31 Ca 0.11 -1.04 0.29 0.00 0.48 0.00 0.00 55.95 55.79 1k0h s SER 31 Cb -0.19 -0.30 1.72 0.00 0.10 0.00 0.00 66.02 67.35 1k0h s SER 31 CO -0.15 0.02 2.18 1.23 0.98 0.00 0.00 173.24 177.50 1k0h h GLY 32 N 2.25 0.00 0.00 7.32 0.00 -1.98 -0.98 103.07 109.68 1k0h h GLY 32 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1k0h h GLY 32 CO 0.61 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.94 1k0h n GLU 33 N -3.86 0.00 -2.98 4.80 2.13 -1.26 -4.70 120.64 114.77 1k0h n GLU 33 Ca -0.01 0.24 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 1k0h n GLU 33 Cb 0.19 -1.11 0.01 0.00 0.27 0.00 0.00 31.44 30.80 1k0h n GLU 33 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1k0h n GLN 34 N -1.21 1.03 -1.66 5.31 7.27 -1.22 -5.10 117.38 121.81 1k0h n GLN 34 Ca 0.00 -3.09 -0.55 0.00 0.07 0.00 0.00 57.00 53.42 1k0h n GLN 34 Cb 0.00 -1.43 -0.07 0.00 2.41 0.00 0.00 30.24 31.15 1k0h n GLN 34 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1k0h n SER 35 N 0.16 2.47 0.00 1.69 3.41 -0.38 -4.47 113.62 116.51 1k0h n SER 35 Ca 0.17 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1k0h n SER 35 Cb 0.71 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1k0h n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k0h n GLY 36 N 4.67 0.00 2.78 5.00 0.00 -0.52 -4.84 105.19 112.27 1k0h n GLY 36 Ca 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 1k0h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0h s ALA 37 N 0.00 0.37 -0.18 4.61 0.00 -1.07 -4.99 121.76 120.49 1k0h s ALA 37 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 1k0h s ALA 37 Cb 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1k0h s ALA 37 CO 0.00 -0.23 0.15 0.54 0.00 0.00 0.00 175.76 176.23 1k0h s VAL 38 N 1.42 5.41 0.18 0.00 0.11 -1.26 0.16 120.40 126.42 1k0h s VAL 38 Ca -0.04 0.24 0.11 0.00 -2.93 0.00 0.00 61.98 59.36 1k0h s VAL 38 Cb -0.13 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1k0h s VAL 38 CO -0.03 0.48 -0.23 0.27 -3.33 0.00 0.00 175.10 172.26 1k0h s ILE 39 N 0.05 2.21 -0.02 7.04 -5.25 0.44 -4.95 121.20 120.71 1k0h s ILE 39 Ca 0.11 -1.96 0.02 0.00 -0.99 0.00 0.00 60.65 57.83 1k0h s ILE 39 Cb -0.12 -2.03 -0.03 0.00 2.95 0.00 0.00 42.46 43.23 1k0h s ILE 39 CO 0.00 -0.13 -0.05 -0.60 -1.79 0.00 0.00 174.94 172.37 1k0h s ARG 40 N -2.59 2.68 0.00 0.37 3.52 -1.26 1.00 118.95 122.66 1k0h s ARG 40 Ca 0.18 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1k0h s ARG 40 Cb -0.08 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 1k0h s ARG 40 CO 0.09 0.63 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 1k0h n GLY 41 N 1.74 3.49 0.00 8.12 0.00 -1.17 -1.51 105.19 115.87 1k0h n GLY 41 Ca -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1k0h n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k0h n VAL 42 N -0.98 0.00 -4.24 1.61 0.31 -1.20 -4.62 118.33 109.21 1k0h n VAL 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1k0h n VAL 42 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1k0h n VAL 42 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1k0h s PHE 43 N 3.06 0.67 -0.16 3.52 -0.12 -1.26 0.84 117.98 124.53 1k0h s PHE 43 Ca 0.00 -0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 56.65 1k0h s PHE 43 Cb 0.00 -0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1k0h s PHE 43 CO 0.00 -0.02 -0.00 0.34 -0.05 0.00 0.00 175.22 175.49 1k0h s ASP 44 N -0.42 5.07 -0.41 1.98 2.15 0.15 -4.87 116.67 120.33 1k0h s ASP 44 Ca 0.01 -0.06 -0.14 0.00 0.43 0.00 0.00 52.55 52.79 1k0h s ASP 44 Cb -0.04 -1.84 0.03 0.00 -0.30 0.00 0.00 42.92 40.76 1k0h s ASP 44 CO -0.00 0.17 0.29 -1.81 -0.17 0.00 0.00 175.17 173.65 1k0h s ASP 45 N 0.36 6.04 0.20 -0.34 1.11 -1.26 -1.40 116.67 121.39 1k0h s ASP 45 Ca -0.02 -0.95 -0.05 0.00 0.18 0.00 0.00 52.55 51.70 1k0h s ASP 45 Cb -0.14 -2.14 0.15 0.00 1.07 0.00 0.00 42.92 41.87 1k0h s ASP 45 CO 0.02 -0.45 1.61 -0.65 1.18 0.00 0.00 175.17 176.88 1k0h h PRO 46 N 8.60 0.82 -1.50 8.23 0.11 -1.97 -3.11 132.00 143.18 1k0h h PRO 46 Ca -0.27 -0.33 -0.39 0.00 0.11 0.00 0.00 66.00 65.12 1k0h h PRO 46 Cb 1.12 -0.04 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 1k0h h PRO 46 CO 0.73 0.96 0.48 0.39 -0.21 0.00 0.00 178.00 180.35 1k0h n GLU 47 N -4.11 1.97 -1.19 1.05 4.71 -1.26 -4.41 120.64 117.40 1k0h n GLU 47 Ca 0.00 -1.86 -0.22 0.00 -0.01 0.00 0.00 57.16 55.07 1k0h n GLU 47 Cb 0.44 -1.75 0.16 0.00 -1.01 0.00 0.00 31.44 29.28 1k0h n GLU 47 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1k0h n ASN 48 N 0.22 4.24 -3.89 1.62 6.94 -1.18 -4.81 115.26 118.41 1k0h n ASN 48 Ca 0.36 -3.69 -0.30 0.00 -0.02 0.00 0.00 54.58 50.93 1k0h n ASN 48 Cb 0.58 -0.81 -0.14 0.00 -2.36 0.00 0.00 39.78 37.06 1k0h n ASN 48 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1k0h s ILE 49 N -3.61 2.14 -0.28 1.53 -4.36 -1.26 -4.92 121.20 110.44 1k0h s ILE 49 Ca 0.56 -2.89 0.09 0.00 -0.26 0.00 0.00 60.65 58.15 1k0h s ILE 49 Cb 0.47 -2.51 0.50 0.00 1.25 0.00 0.00 42.46 42.17 1k0h s ILE 49 CO 0.06 -0.79 1.45 -1.54 0.24 0.00 0.00 174.94 174.36 1k0h n SER 50 N 3.47 2.47 0.04 4.36 3.41 -1.26 -4.74 113.62 121.36 1k0h n SER 50 Ca 0.05 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 1k0h n SER 50 Cb 0.35 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1k0h n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k0h n TYR 51 N -1.10 -0.63 -0.05 7.33 9.36 -1.26 -5.12 117.16 125.68 1k0h n TYR 51 Ca 0.32 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1k0h n TYR 51 Cb 1.01 0.39 0.00 0.00 -0.63 0.00 0.00 39.34 40.11 1k0h n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k0h n ALA 52 N -2.82 0.00 -1.28 2.98 0.00 -1.26 -4.94 120.51 113.18 1k0h n ALA 52 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1k0h n ALA 52 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1k0h n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k0h n GLY 53 N 2.59 -1.87 2.65 0.00 0.00 -1.26 -4.97 105.19 102.34 1k0h n GLY 53 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1k0h n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k0h n GLN 54 N -0.21 1.10 -3.04 1.61 -0.00 -1.26 -4.91 117.38 110.67 1k0h n GLN 54 Ca 0.09 -2.23 -0.29 0.00 -0.00 0.00 0.00 57.00 54.57 1k0h n GLN 54 Cb 0.49 -0.74 -0.04 0.00 -0.00 0.00 0.00 30.24 29.95 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k0h n GLY 55 N -0.09 5.44 0.00 2.61 0.00 -1.26 -4.78 105.19 107.11 1k0h n GLY 55 Ca 0.05 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.31 1k0h n GLY 55 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k0h n VAL 56 N 0.15 0.00 0.01 1.61 0.24 -1.26 -5.04 118.33 114.04 1k0h n VAL 56 Ca 0.32 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.62 1k0h n VAL 56 Cb 0.38 -0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1k0h n VAL 56 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1k0h h ARG 57 N 0.00 -0.02 -2.58 7.34 -0.00 -1.94 -3.46 114.38 113.72 1k0h h ARG 57 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.32 1k0h h ARG 57 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 1k0h h ARG 57 CO 0.00 -0.01 -0.17 1.55 0.00 0.00 0.00 179.97 181.34 1k0h n VAL 58 N -2.10 -0.14 0.00 2.04 3.14 -1.26 -4.30 118.33 115.71 1k0h n VAL 58 Ca -0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1k0h n VAL 58 Cb 0.01 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 1k0h n VAL 58 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1k0h n GLU 59 N -1.97 0.00 -2.70 1.45 -0.00 -1.26 -5.06 120.64 111.11 1k0h n GLU 59 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.01 1k0h n GLU 59 Cb 0.38 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 31.91 1k0h n GLU 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k0h n GLY 60 N 0.00 0.41 3.68 -1.84 0.00 -1.26 -5.13 105.19 101.04 1k0h n GLY 60 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1k0h n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k0h s SER 61 N -0.95 7.18 -0.24 1.61 0.15 -1.26 -4.92 113.70 115.28 1k0h s SER 61 Ca 0.19 1.48 -0.26 0.00 0.70 0.00 0.00 55.95 58.06 1k0h s SER 61 Cb 0.30 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 1k0h s SER 61 CO -0.08 -0.54 0.73 -0.44 1.20 0.00 0.00 173.24 174.11 1k0h s SER 62 N 1.15 -0.72 0.08 5.45 0.01 -1.26 -5.04 113.70 113.37 1k0h s SER 62 Ca 0.47 1.30 -0.00 0.00 1.31 0.00 0.00 55.95 59.03 1k0h s SER 62 Cb -0.17 1.29 -0.04 0.00 0.21 0.00 0.00 66.02 67.31 1k0h s SER 62 CO 0.13 -0.30 0.24 -2.16 0.41 0.00 0.00 173.24 171.57 1k0h s PRO 63 N 0.12 3.46 0.39 12.44 0.04 -1.26 -4.09 135.00 146.11 1k0h s PRO 63 Ca -0.02 -0.42 0.08 0.00 0.04 0.00 0.00 61.00 60.68 1k0h s PRO 63 Cb -0.04 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 1k0h s PRO 63 CO 0.02 0.58 -0.01 0.45 0.04 0.00 0.00 177.00 178.08 1k0h s SER 64 N -2.61 3.86 -0.06 6.66 0.15 -0.49 -3.13 113.70 118.08 1k0h s SER 64 Ca 0.36 -1.32 0.02 0.00 0.70 0.00 0.00 55.95 55.70 1k0h s SER 64 Cb -0.13 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1k0h s SER 64 CO 0.28 -0.39 -0.09 -0.22 1.20 0.00 0.00 173.24 174.01 1k0h s LEU 65 N -3.69 3.02 -0.08 3.45 0.20 0.44 0.32 118.68 122.34 1k0h s LEU 65 Ca 0.35 -0.08 -0.14 0.00 0.69 0.00 0.00 54.13 54.94 1k0h s LEU 65 Cb 0.08 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 44.15 1k0h s LEU 65 CO 0.18 0.36 0.36 0.12 -0.29 0.00 0.00 176.35 177.07 1k0h s PHE 66 N -0.79 3.60 0.02 5.38 5.36 0.25 -4.71 117.98 127.08 1k0h s PHE 66 Ca 0.12 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 1k0h s PHE 66 Cb -0.11 -2.31 -0.01 0.00 -0.34 0.00 0.00 43.02 40.25 1k0h s PHE 66 CO 0.01 0.45 -0.10 0.54 -1.46 0.00 0.00 175.22 174.67 1k0h s VAL 67 N -0.32 0.76 -0.56 3.12 0.11 -1.25 -3.26 120.40 118.98 1k0h s VAL 67 Ca 0.21 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 1k0h s VAL 67 Cb -0.15 -0.69 0.50 0.00 -1.53 0.00 0.00 36.38 34.52 1k0h s VAL 67 CO 0.09 0.03 1.90 0.54 -3.33 0.00 0.00 175.10 174.33 1k0h n ARG 68 N 2.35 2.64 0.00 1.54 5.12 -0.57 -4.86 116.66 122.88 1k0h n ARG 68 Ca -0.16 -3.31 0.00 0.00 -1.93 0.00 0.00 57.85 52.44 1k0h n ARG 68 Cb 0.56 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 1k0h n ARG 68 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1k0h n THR 69 N -0.96 0.00 0.00 0.55 -1.04 -1.26 -4.94 114.28 106.63 1k0h n THR 69 Ca 0.59 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 1k0h n THR 69 Cb 0.93 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 1k0h n THR 69 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1k0h n ASP 70 N 0.00 0.00 -0.13 8.00 2.03 -1.26 -5.03 116.55 120.17 1k0h n ASP 70 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1k0h n ASP 70 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0h n GLU 71 N 0.00 0.61 -0.23 -0.67 1.02 -1.26 -4.33 120.64 115.78 1k0h n GLU 71 Ca 0.00 0.27 0.18 0.00 -0.02 0.00 0.00 57.16 57.59 1k0h n GLU 71 Cb 0.00 -1.54 0.49 0.00 -0.02 0.00 0.00 31.44 30.37 1k0h n GLU 71 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1k0h h VAL 72 N -0.70 0.72 -0.59 2.62 -1.51 -1.95 1.22 116.25 116.06 1k0h h VAL 72 Ca -0.62 -0.15 0.16 0.00 -1.23 0.00 0.00 66.70 64.86 1k0h h VAL 72 Cb 1.67 0.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.04 1k0h h VAL 72 CO -0.29 0.08 0.42 -0.09 -1.23 0.00 0.00 177.57 176.46 1k0h h ARG 73 N 0.45 0.06 0.00 5.19 1.12 -1.98 0.36 114.38 119.58 1k0h h ARG 73 Ca 0.45 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.32 1k0h h ARG 73 Cb 1.06 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.00 1k0h h ARG 73 CO -0.17 0.04 -0.94 1.96 -3.11 0.00 0.00 179.97 177.75 1k0h h GLN 74 N 0.06 0.00 -4.45 0.20 4.20 0.13 -3.42 115.11 111.82 1k0h h GLN 74 Ca 0.28 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.47 1k0h h GLN 74 Cb 1.04 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.89 1k0h h GLN 74 CO -0.02 0.00 1.90 1.28 -0.67 0.00 0.00 178.83 181.32 1k0h n LEU 75 N -2.59 2.74 -4.73 1.46 4.32 0.13 -4.90 117.00 113.43 1k0h n LEU 75 Ca 0.01 -2.23 -0.36 0.00 -0.02 0.00 0.00 56.01 53.41 1k0h n LEU 75 Cb 0.53 -0.84 0.07 0.00 -1.62 0.00 0.00 43.42 41.56 1k0h n LEU 75 CO 0.39 -0.86 0.84 -0.13 -1.22 0.00 0.00 177.39 176.42 1k0h s ARG 76 N 5.44 2.48 0.19 3.23 1.81 -1.26 -4.88 118.95 125.96 1k0h s ARG 76 Ca 0.52 1.87 -0.31 0.00 -1.72 0.00 0.00 55.73 56.10 1k0h s ARG 76 Cb 0.12 -1.86 -0.16 0.00 -0.45 0.00 0.00 34.95 32.60 1k0h s ARG 76 CO 0.16 -1.60 0.84 -2.13 -0.68 0.00 0.00 175.30 171.89 1k0h n ARG 77 N -2.17 0.54 0.00 3.54 0.63 -1.26 -3.84 116.66 114.09 1k0h n ARG 77 Ca 0.14 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1k0h n ARG 77 Cb 0.49 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1k0h n ARG 77 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k0h n GLY 78 N 1.77 1.53 2.97 5.14 0.00 -1.26 -5.06 105.19 110.27 1k0h n GLY 78 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1k0h n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k0h s ASP 79 N -2.00 0.16 0.10 1.61 1.01 -1.25 -4.73 116.67 111.58 1k0h s ASP 79 Ca 0.00 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.97 1k0h s ASP 79 Cb 0.00 0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.99 1k0h s ASP 79 CO 0.00 -0.24 -0.05 -0.89 0.21 0.00 0.00 175.17 174.20 1k0h s THR 80 N -1.13 3.65 0.02 -1.27 2.01 -1.14 -2.82 115.64 114.96 1k0h s THR 80 Ca -0.12 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 60.63 1k0h s THR 80 Cb -0.08 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1k0h s THR 80 CO -0.01 0.09 0.14 -0.76 -0.69 0.00 0.00 174.62 173.40 1k0h s LEU 81 N -2.31 1.56 -0.21 4.42 1.43 0.11 -0.55 118.68 123.14 1k0h s LEU 81 Ca 0.24 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1k0h s LEU 81 Cb -0.11 0.74 -0.00 0.00 0.03 0.00 0.00 46.19 46.84 1k0h s LEU 81 CO 0.16 -0.46 -0.07 0.42 0.23 0.00 0.00 176.35 176.63 1k0h s THR 82 N -2.01 3.16 -0.03 5.49 -4.23 0.34 0.18 115.64 118.54 1k0h s THR 82 Ca -0.10 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1k0h s THR 82 Cb -0.04 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1k0h s THR 82 CO -0.01 0.45 -0.12 -0.51 -0.54 0.00 0.00 174.62 173.89 1k0h s ILE 83 N 1.37 0.98 0.00 2.99 2.07 -1.26 0.17 121.20 127.53 1k0h s ILE 83 Ca 0.05 -0.48 0.00 0.00 -1.41 0.00 0.00 60.65 58.80 1k0h s ILE 83 Cb -0.14 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1k0h s ILE 83 CO -0.04 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.89 1k0h n GLY 84 N 3.12 0.50 0.40 1.50 0.00 -0.70 0.16 105.19 110.17 1k0h n GLY 84 Ca -0.17 0.25 0.19 0.00 0.00 0.00 0.00 46.02 46.28 1k0h n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k0h h GLU 85 N 0.00 0.30 0.00 1.61 4.39 -1.95 -3.45 114.58 115.48 1k0h h GLU 85 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1k0h h GLU 85 Cb 0.00 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1k0h h GLU 85 CO 0.00 0.20 0.00 0.39 -1.16 0.00 0.00 179.01 178.44 1k0h n GLU 86 N -4.45 0.00 -3.68 2.33 -0.58 0.43 -4.61 120.64 110.08 1k0h n GLU 86 Ca 0.16 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.75 1k0h n GLU 86 Cb 0.65 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.37 1k0h n GLU 86 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1k0h s ASN 87 N -2.00 0.53 -0.17 1.62 3.84 -1.12 -4.19 114.94 113.46 1k0h s ASN 87 Ca 0.00 0.39 -0.04 0.00 0.21 0.00 0.00 52.86 53.42 1k0h s ASN 87 Cb 0.00 0.35 0.07 0.00 -0.55 0.00 0.00 41.25 41.13 1k0h s ASN 87 CO 0.00 -0.23 0.16 -0.36 -2.79 0.00 0.00 177.10 173.88 1k0h s PHE 88 N 2.14 -0.09 -0.07 0.43 0.40 0.48 -4.26 117.98 117.01 1k0h s PHE 88 Ca 0.01 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1k0h s PHE 88 Cb -0.12 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1k0h s PHE 88 CO -0.06 -0.50 0.07 -0.46 0.70 0.00 0.00 175.22 174.97 1k0h s TRP 89 N 2.25 3.33 -0.48 0.36 -0.00 0.40 0.09 118.94 124.89 1k0h s TRP 89 Ca 0.04 0.30 -0.26 0.00 -0.00 0.00 0.00 56.10 56.18 1k0h s TRP 89 Cb -0.15 -1.82 0.03 0.00 -0.00 0.00 0.00 33.47 31.53 1k0h s TRP 89 CO -0.10 0.57 0.97 0.54 -0.00 0.00 0.00 176.95 178.94 1k0h s VAL 90 N -1.03 4.40 -1.77 5.86 0.11 -1.13 0.50 120.40 127.35 1k0h s VAL 90 Ca 0.17 0.75 0.28 0.00 -2.93 0.00 0.00 61.98 60.25 1k0h s VAL 90 Cb -0.12 -4.48 0.41 0.00 -1.53 0.00 0.00 36.38 30.66 1k0h s VAL 90 CO 0.07 -0.92 1.76 -0.67 -3.33 0.00 0.00 175.10 172.00 1k0h n ASP 91 N 7.35 0.74 -3.54 3.54 -0.08 0.22 -4.51 116.55 120.28 1k0h n ASP 91 Ca 0.06 -0.77 -0.32 0.00 -1.51 0.00 0.00 54.79 52.25 1k0h n ASP 91 Cb 0.48 0.01 0.03 0.00 2.34 0.00 0.00 41.12 43.99 1k0h n ASP 91 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1k0h n ARG 92 N -0.75 0.00 -4.24 -0.67 1.74 -0.21 -4.79 116.66 107.73 1k0h n ARG 92 Ca 0.14 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1k0h n ARG 92 Cb 0.30 -0.89 -0.10 0.00 -1.02 0.00 0.00 32.46 30.76 1k0h n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k0h s VAL 93 N -1.77 0.59 -0.13 1.55 1.01 -1.26 -4.75 120.40 115.64 1k0h s VAL 93 Ca 0.35 -1.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 1k0h s VAL 93 Cb -0.13 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1k0h s VAL 93 CO 0.72 -0.39 0.18 -1.20 0.00 0.00 0.00 175.10 174.41 1k0h n SER 94 N -0.26 -2.76 0.23 3.32 7.64 -1.26 -4.85 113.62 115.67 1k0h n SER 94 Ca -0.05 1.47 0.08 0.00 1.01 0.00 0.00 58.87 61.38 1k0h n SER 94 Cb 0.64 -5.12 0.55 0.00 -1.01 0.00 0.00 64.21 59.27 1k0h n SER 94 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1k0h h PRO 95 N 4.22 0.00 -0.08 1.43 0.13 -1.97 -3.41 132.00 132.32 1k0h h PRO 95 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1k0h h PRO 95 Cb 0.94 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.93 1k0h h PRO 95 CO 0.01 0.21 -0.07 -3.47 -0.23 0.00 0.00 178.00 174.45 1k0h n ASP 96 N -3.93 -1.25 -1.30 1.44 2.03 -1.26 -4.99 116.55 107.29 1k0h n ASP 96 Ca -0.02 -1.03 -0.01 0.00 0.52 0.00 0.00 54.79 54.25 1k0h n ASP 96 Cb 0.30 0.64 0.01 0.00 -0.72 0.00 0.00 41.12 41.35 1k0h n ASP 96 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k0h n ASP 97 N 2.26 -0.38 -0.57 1.67 2.03 -1.26 -5.16 116.55 115.14 1k0h n ASP 97 Ca 0.08 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1k0h n ASP 97 Cb 0.67 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1k0h n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0h n GLY 98 N -0.25 3.28 0.00 0.27 0.00 -1.26 -5.06 105.19 102.17 1k0h n GLY 98 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1k0h n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k0h n GLY 99 N 0.00 1.36 0.00 -0.02 0.00 -1.26 -5.12 105.19 100.15 1k0h n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k0h n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k0h n SER 100 N 0.00 0.00 -3.73 1.61 7.64 -1.26 -5.03 113.62 112.85 1k0h n SER 100 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1k0h n SER 100 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1k0h n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k0h n HIS 102 N -4.60 1.41 -1.52 0.00 -0.00 -1.26 -5.01 115.22 104.24 1k0h n HIS 102 Ca -0.09 -1.87 -0.20 0.00 -0.00 0.00 0.00 57.72 55.56 1k0h n HIS 102 Cb 0.59 -0.42 -0.17 0.00 -0.00 0.00 0.00 29.99 29.99 1k0h n HIS 102 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1k0h n LEU 103 N -0.97 -0.30 -4.65 2.41 7.99 -1.26 -4.78 117.00 115.45 1k0h n LEU 103 Ca 0.34 -0.81 -0.38 0.00 -0.01 0.00 0.00 56.01 55.15 1k0h n LEU 103 Cb 0.87 -0.92 -0.09 0.00 -0.11 0.00 0.00 43.42 43.17 1k0h n LEU 103 CO 0.22 -1.79 -0.03 0.86 -1.51 0.00 0.00 177.39 175.14 1k0h s TRP 104 N 5.28 3.31 0.31 -1.77 -0.00 -1.26 0.17 118.94 124.98 1k0h s TRP 104 Ca 1.19 0.39 0.07 0.00 -0.00 0.00 0.00 56.10 57.76 1k0h s TRP 104 Cb -0.63 -2.43 -0.03 0.00 -0.00 0.00 0.00 33.47 30.38 1k0h s TRP 104 CO 0.41 -0.04 0.29 -0.51 -0.00 0.00 0.00 176.95 177.10 1k0h s LEU 105 N 1.42 3.75 -0.11 5.86 1.43 -1.18 0.72 118.68 130.56 1k0h s LEU 105 Ca 0.13 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1k0h s LEU 105 Cb -0.15 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.77 1k0h s LEU 105 CO 0.07 -0.25 0.23 -0.83 0.23 0.00 0.00 176.35 175.80 1k0h s GLY 106 N -3.97 -0.07 0.23 -3.19 0.00 0.18 -4.56 107.32 95.93 1k0h s GLY 106 Ca 0.39 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1k0h s GLY 106 CO 0.27 1.81 0.38 0.50 0.00 0.00 0.00 173.10 176.06 1k0h s ARG 107 N 2.27 3.47 -0.27 2.90 1.81 -1.26 0.15 118.95 128.01 1k0h s ARG 107 Ca 0.01 -0.55 0.20 0.00 -1.72 0.00 0.00 55.73 53.66 1k0h s ARG 107 Cb -0.12 -2.85 0.47 0.00 -0.45 0.00 0.00 34.95 31.99 1k0h s ARG 107 CO -0.08 0.39 1.25 0.41 -0.68 0.00 0.00 175.30 176.59 1k0h n GLY 108 N -1.11 1.82 1.99 -3.53 0.00 -1.26 -4.92 105.19 98.19 1k0h n GLY 108 Ca -0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1k0h n GLY 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0h n VAL 109 N -0.85 0.00 -2.52 1.61 3.14 -1.26 -4.86 118.33 113.58 1k0h n VAL 109 Ca -0.01 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.14 1k0h n VAL 109 Cb 0.84 -0.29 0.05 0.00 -1.06 0.00 0.00 33.84 33.38 1k0h n VAL 109 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1k0h s PRO 110 N 4.64 2.34 1.01 1.45 0.04 -1.26 -5.07 135.00 138.15 1k0h s PRO 110 Ca 0.76 -0.70 -0.16 0.00 0.04 0.00 0.00 61.00 60.95 1k0h s PRO 110 Cb -0.79 -2.39 0.20 0.00 0.04 0.00 0.00 34.50 31.57 1k0h s PRO 110 CO 0.32 -0.94 1.20 -2.14 0.04 0.00 0.00 177.00 175.48 1k0h s PRO 111 N -4.93 0.30 -0.12 0.56 0.02 -1.26 -4.75 135.00 124.82 1k0h s PRO 111 Ca 0.59 -0.07 -0.05 0.00 0.02 0.00 0.00 61.00 61.49 1k0h s PRO 111 Cb -0.10 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.67 1k0h s PRO 111 CO 0.41 -2.70 0.11 0.00 -0.33 0.00 0.00 177.00 174.49 1k0h n ALA 112 N -4.04 -2.62 -3.51 -1.55 0.00 -1.26 -5.03 120.51 102.50 1k0h n ALA 112 Ca 0.12 1.13 -0.19 0.00 0.00 0.00 0.00 53.44 54.49 1k0h n ALA 112 Cb 0.59 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 1k0h n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k0h s VAL 113 N -0.63 0.53 -0.27 0.00 0.11 -1.26 -5.02 120.40 113.85 1k0h s VAL 113 Ca -0.13 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.49 1k0h s VAL 113 Cb 0.01 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1k0h s VAL 113 CO 0.45 0.21 1.64 0.21 -3.33 0.00 0.00 175.10 174.28 1k0h s ASN 114 N 0.75 6.24 0.14 3.54 3.84 -1.26 -4.99 114.94 123.20 1k0h s ASN 114 Ca -0.10 1.44 0.11 0.00 0.21 0.00 0.00 52.86 54.52 1k0h s ASN 114 Cb -0.13 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.00 1k0h s ASN 114 CO 0.00 -1.40 -0.25 -0.13 -2.79 0.00 0.00 177.10 172.53 1k0h s ARG 115 N 4.97 1.39 0.06 0.43 0.52 -1.26 -5.03 118.95 120.03 1k0h s ARG 115 Ca 0.72 -1.38 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 1k0h s ARG 115 Cb -0.23 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 1k0h s ARG 115 CO 0.31 0.42 -0.15 -0.98 0.02 0.00 0.00 175.30 174.92 1k0h s ARG 116 N -2.22 2.11 0.00 3.54 1.04 -1.26 -5.30 118.95 116.86 1k0h s ARG 116 Ca 0.15 -0.98 0.00 0.00 -1.04 0.00 0.00 55.73 53.86 1k0h s ARG 116 Cb -0.09 -2.25 0.00 0.00 -2.04 0.00 0.00 34.95 30.57 1k0h s ARG 116 CO 0.07 0.53 0.00 -2.13 -0.04 0.00 0.00 175.30 173.73