#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0h s ALA 2 N 0.00 2.22 0.00 -5.12 0.00 -1.26 -4.55 121.76 113.04 1k0h s ALA 2 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1k0h s ALA 2 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1k0h s ALA 2 CO 0.00 -4.04 0.00 -3.47 0.00 0.00 0.00 175.76 168.25 1k0h n ASP 3 N 11.75 0.64 0.06 0.00 2.03 -1.26 -4.83 116.55 124.94 1k0h n ASP 3 Ca 0.27 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.57 1k0h n ASP 3 Cb 0.50 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 1k0h n ASP 3 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1k0h h PHE 4 N 0.00 0.00 -3.95 -0.67 -0.00 -2.10 -3.45 116.94 106.77 1k0h h PHE 4 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.97 57.30 1k0h h PHE 4 Cb 0.61 0.00 -0.32 0.00 -0.00 0.00 0.00 35.95 36.24 1k0h h PHE 4 CO 0.00 0.62 -0.88 0.34 -0.00 0.00 0.00 178.31 178.40 1k0h s ASP 5 N -6.09 2.94 -0.49 -0.68 2.15 -1.26 -5.06 116.67 108.18 1k0h s ASP 5 Ca -0.01 -0.49 0.08 0.00 0.43 0.00 0.00 52.55 52.56 1k0h s ASP 5 Cb 0.08 -0.85 0.32 0.00 -0.30 0.00 0.00 42.92 42.17 1k0h s ASP 5 CO 0.79 0.23 0.78 -0.46 -0.17 0.00 0.00 175.17 176.34 1k0h n ASN 6 N 3.02 2.48 -4.49 -0.34 0.23 -1.26 -4.73 115.26 110.17 1k0h n ASN 6 Ca -0.18 -3.27 -0.43 0.00 -0.53 0.00 0.00 54.58 50.17 1k0h n ASN 6 Cb 0.52 -0.61 -0.02 0.00 -2.08 0.00 0.00 39.78 37.59 1k0h n ASN 6 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1k0h s LEU 7 N -2.64 4.51 0.98 -4.53 2.01 -1.26 -5.01 118.68 112.74 1k0h s LEU 7 Ca 0.43 -1.94 -0.15 0.00 0.01 0.00 0.00 54.13 52.48 1k0h s LEU 7 Cb 0.27 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 44.01 1k0h s LEU 7 CO -0.10 -1.19 0.06 2.22 1.01 0.00 0.00 176.35 178.36 1k0h n PHE 8 N 7.31 -2.18 -3.79 0.29 1.16 -1.26 -5.00 117.46 113.98 1k0h n PHE 8 Ca 0.29 0.18 -0.26 0.00 -1.87 0.00 0.00 57.45 55.79 1k0h n PHE 8 Cb 0.49 -1.68 -0.17 0.00 -1.61 0.00 0.00 39.48 36.52 1k0h n PHE 8 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1k0h s ASP 9 N -1.77 2.50 0.16 5.98 1.47 -1.26 -4.93 116.67 118.83 1k0h s ASP 9 Ca 0.53 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.70 1k0h s ASP 9 Cb -0.18 -0.64 0.00 0.00 -0.34 0.00 0.00 42.92 41.75 1k0h s ASP 9 CO 0.70 -0.24 0.00 0.00 0.68 0.00 0.00 175.17 176.32 1k0h n ALA 10 N 5.03 0.00 -1.78 2.11 0.00 -1.26 -4.95 120.51 119.65 1k0h n ALA 10 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1k0h n ALA 10 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.80 5.60 0.00 0.00 0.00 -1.26 -4.58 120.51 117.46 1k0h n ALA 11 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1k0h n ALA 11 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.77 0.00 -2.36 0.00 3.06 -1.26 -4.96 119.36 113.07 1k0h n ILE 12 Ca 0.51 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.35 1k0h n ILE 12 Cb 0.80 -0.11 0.01 0.00 0.54 0.00 0.00 39.64 40.87 1k0h n ILE 12 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1k0h n ALA 13 N -1.95 6.14 -2.63 1.51 0.00 -1.26 -4.80 120.51 117.52 1k0h n ALA 13 Ca 0.00 -4.36 -0.38 0.00 0.00 0.00 0.00 53.44 48.70 1k0h n ALA 13 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 16.85 1k0h n ALA 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k0h n ARG 14 N 1.61 4.82 -2.72 0.00 3.00 -1.26 -4.68 116.66 117.44 1k0h n ARG 14 Ca 0.49 -4.60 -0.07 0.00 -0.00 0.00 0.00 57.85 53.67 1k0h n ARG 14 Cb 0.28 -2.41 0.06 0.00 0.00 0.00 0.00 32.46 30.39 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0h n ALA 15 N -0.14 -2.27 -2.08 5.13 0.00 -1.26 -5.10 120.51 114.79 1k0h n ALA 15 Ca 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1k0h n ALA 15 Cb 0.29 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.57 -8.20 -3.65 0.00 2.03 -1.26 -5.08 116.55 101.96 1k0h n ASP 16 Ca 0.06 1.50 -0.05 0.00 0.52 0.00 0.00 54.79 56.81 1k0h n ASP 16 Cb 0.66 -4.45 -0.06 0.00 -0.72 0.00 0.00 41.12 36.54 1k0h n ASP 16 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1k0h s GLU 17 N -0.89 0.61 0.47 -0.67 2.56 -1.26 -5.13 118.70 114.39 1k0h s GLU 17 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 54.97 56.22 1k0h s GLU 17 Cb 0.00 0.39 0.00 0.00 2.00 0.00 0.00 34.13 36.52 1k0h s GLU 17 CO 0.00 -0.18 0.00 2.41 -0.56 0.00 0.00 175.26 176.93 1k0h n THR 18 N 4.78 -0.47 -3.02 -1.70 -1.04 -1.26 -4.96 114.28 106.61 1k0h n THR 18 Ca -0.17 0.63 -0.05 0.00 -2.04 0.00 0.00 64.05 62.43 1k0h n THR 18 Cb 0.54 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1k0h n THR 18 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1k0h n ILE 19 N -3.95-10.12 0.00 12.58 5.41 -1.26 -4.90 119.36 117.11 1k0h n ILE 19 Ca -0.06 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1k0h n ILE 19 Cb 0.56 -6.84 0.00 0.00 -0.71 0.00 0.00 39.64 32.65 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 -1.20 0.00 0.00 0.38 5.12 -1.26 -5.17 116.66 114.53 1k0h n ARG 20 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1k0h n ARG 20 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 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 -0.86 4.34 2.78 -0.13 0.00 -1.26 -5.09 105.19 104.97 1k0h n GLY 21 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 1k0h n GLY 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k0h s TYR 22 N -2.00 -0.46 0.67 1.61 5.04 -1.26 -5.04 117.35 115.91 1k0h s TYR 22 Ca 0.00 -0.83 -0.17 0.00 -2.44 0.00 0.00 57.07 53.63 1k0h s TYR 22 Cb 0.00 -0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.02 1k0h s TYR 22 CO 0.00 -1.01 1.24 0.00 -1.34 0.00 0.00 175.55 174.44 1k0h s MET 23 N 1.27 2.45 0.00 4.97 0.23 -1.26 -4.92 119.30 122.03 1k0h s MET 23 Ca 0.20 1.89 0.00 0.00 -1.03 0.00 0.00 55.69 56.75 1k0h s MET 23 Cb -0.11 -1.85 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 1k0h s MET 23 CO -0.05 -1.63 0.00 0.41 -2.03 0.00 0.00 175.02 171.72 1k0h n GLY 24 N 0.62 0.00 3.76 3.16 0.00 -1.26 -5.15 105.19 106.31 1k0h n GLY 24 Ca 0.14 0.00 -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 0.00 5.14 -0.18 2.61 -1.32 -1.26 -5.04 115.64 115.59 1k0h s THR 25 Ca 0.00 0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 61.35 1k0h s THR 25 Cb 0.00 -3.77 -0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1k0h s THR 25 CO 0.00 0.41 -0.13 -0.44 -2.21 0.00 0.00 174.62 172.26 1k0h s SER 26 N 0.06 3.79 0.07 8.08 0.01 -1.26 -3.16 113.70 121.30 1k0h s SER 26 Ca 0.24 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.13 1k0h s SER 26 Cb -0.15 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1k0h s SER 26 CO 0.11 0.05 -0.23 0.00 0.41 0.00 0.00 173.24 173.57 1k0h s ALA 27 N 1.05 2.01 -0.06 1.44 0.00 0.18 -2.64 121.76 123.73 1k0h s ALA 27 Ca -0.01 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1k0h s ALA 27 Cb -0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1k0h s ALA 27 CO -0.03 0.45 -0.24 0.99 0.00 0.00 0.00 175.76 176.93 1k0h s THR 28 N -0.93 1.98 -0.21 0.00 2.01 0.50 0.19 115.64 119.16 1k0h s THR 28 Ca 0.10 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1k0h s THR 28 Cb -0.10 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1k0h s THR 28 CO 0.03 0.55 0.07 -0.63 -0.69 0.00 0.00 174.62 173.95 1k0h s ILE 29 N -0.03 4.61 -0.33 1.82 -1.09 0.12 0.64 121.20 126.93 1k0h s ILE 29 Ca -0.07 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1k0h s ILE 29 Cb -0.14 -3.11 0.10 0.00 -1.58 0.00 0.00 42.46 37.73 1k0h s ILE 29 CO 0.05 0.40 0.10 0.28 -1.23 0.00 0.00 174.94 174.54 1k0h s THR 30 N 0.95 1.16 0.01 2.92 -1.32 0.59 -2.10 115.64 117.85 1k0h s THR 30 Ca 0.04 -1.67 0.07 0.00 -1.21 0.00 0.00 61.69 58.92 1k0h s THR 30 Cb -0.14 -1.87 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1k0h s THR 30 CO 0.03 -0.69 -0.23 -0.94 -2.21 0.00 0.00 174.62 170.59 1k0h s SER 31 N 1.37 3.41 0.55 8.08 1.04 -1.26 -2.68 113.70 124.21 1k0h s SER 31 Ca 0.11 -0.45 0.45 0.00 0.48 0.00 0.00 55.95 56.53 1k0h s SER 31 Cb -0.18 -0.46 1.66 0.00 0.10 0.00 0.00 66.02 67.14 1k0h s SER 31 CO -0.20 0.29 1.67 1.23 0.98 0.00 0.00 173.24 177.21 1k0h h GLY 32 N 5.04 0.01 0.00 7.32 0.00 -1.97 0.55 103.07 114.02 1k0h h GLY 32 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1k0h h GLY 32 CO 0.47 -0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.79 1k0h n GLU 33 N -4.04 0.00 -3.18 4.80 2.13 -1.26 -4.67 120.64 114.42 1k0h n GLU 33 Ca 0.37 0.20 -0.25 0.00 0.66 0.00 0.00 57.16 58.14 1k0h n GLU 33 Cb 1.70 -0.89 -0.06 0.00 0.27 0.00 0.00 31.44 32.46 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 -1.11 2.24 -2.57 5.31 7.27 -0.99 -5.08 117.38 122.45 1k0h n GLN 34 Ca 0.00 -4.30 -0.42 0.00 0.07 0.00 0.00 57.00 52.35 1k0h n GLN 34 Cb 0.00 -2.00 -0.03 0.00 2.41 0.00 0.00 30.24 30.63 1k0h n GLN 34 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1k0h s SER 35 N -2.62 7.18 0.00 1.69 1.04 0.15 -4.49 113.70 116.65 1k0h s SER 35 Ca 0.42 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.62 1k0h s SER 35 Cb 0.23 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1k0h s SER 35 CO -0.08 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1k0h n GLY 36 N 3.15 0.20 3.08 7.32 0.00 -0.89 -4.84 105.19 113.21 1k0h n GLY 36 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.05 -0.59 -0.25 4.61 0.00 -1.15 -5.04 121.76 119.29 1k0h s ALA 37 Ca 0.00 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1k0h s ALA 37 Cb 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1k0h s ALA 37 CO 0.00 -0.18 0.18 0.54 0.00 0.00 0.00 175.76 176.30 1k0h s VAL 38 N 1.00 5.34 0.25 0.00 0.11 -1.26 0.11 120.40 125.94 1k0h s VAL 38 Ca -0.07 0.20 0.12 0.00 -2.93 0.00 0.00 61.98 59.30 1k0h s VAL 38 Cb -0.08 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.20 1k0h s VAL 38 CO -0.07 0.31 -0.20 0.27 -3.33 0.00 0.00 175.10 172.09 1k0h s ILE 39 N 1.30 2.53 0.06 7.04 -5.25 0.49 -4.96 121.20 122.40 1k0h s ILE 39 Ca 0.08 -2.23 -0.00 0.00 -0.99 0.00 0.00 60.65 57.51 1k0h s ILE 39 Cb -0.14 -2.29 -0.04 0.00 2.95 0.00 0.00 42.46 42.94 1k0h s ILE 39 CO 0.07 -0.30 0.21 -0.60 -1.79 0.00 0.00 174.94 172.53 1k0h s ARG 40 N -3.22 3.44 0.00 0.37 3.52 -1.26 0.49 118.95 122.28 1k0h s ARG 40 Ca 0.27 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 1k0h s ARG 40 Cb -0.06 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1k0h s ARG 40 CO 0.14 0.61 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 1k0h n GLY 41 N 0.33 4.36 3.74 8.12 0.00 -1.19 -3.45 105.19 117.10 1k0h n GLY 41 Ca -0.05 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1k0h n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k0h s VAL 42 N -2.00 1.16 -0.05 1.61 0.11 -0.89 -4.54 120.40 115.79 1k0h s VAL 42 Ca 0.00 -2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 56.89 1k0h s VAL 42 Cb 0.00 -2.20 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 1k0h s VAL 42 CO 0.00 0.00 0.41 0.12 -3.33 0.00 0.00 175.10 172.30 1k0h s PHE 43 N -2.89 3.64 -0.09 1.54 2.19 -1.26 -1.20 117.98 119.89 1k0h s PHE 43 Ca 0.08 0.91 0.04 0.00 0.33 0.00 0.00 56.93 58.29 1k0h s PHE 43 Cb 0.02 -2.37 0.00 0.00 -1.31 0.00 0.00 43.02 39.36 1k0h s PHE 43 CO 0.04 0.46 -0.22 0.34 1.83 0.00 0.00 175.22 177.67 1k0h s ASP 44 N -0.41 2.90 -0.31 6.13 -1.08 0.43 -4.94 116.67 119.39 1k0h s ASP 44 Ca 0.23 -0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 51.74 1k0h s ASP 44 Cb -0.16 -1.30 0.07 0.00 -1.46 0.00 0.00 42.92 40.07 1k0h s ASP 44 CO 0.11 0.15 0.01 -0.62 0.52 0.00 0.00 175.17 175.34 1k0h s ASP 45 N 0.36 4.83 0.43 -0.34 -1.08 -1.26 -0.98 116.67 118.63 1k0h s ASP 45 Ca -0.18 -1.54 0.09 0.00 -0.52 0.00 0.00 52.55 50.40 1k0h s ASP 45 Cb -0.17 -1.68 0.94 0.00 -1.46 0.00 0.00 42.92 40.54 1k0h s ASP 45 CO 0.08 -0.30 2.08 -0.65 0.52 0.00 0.00 175.17 176.89 1k0h h PRO 46 N 7.90 0.42 0.00 4.34 0.11 -1.83 -3.27 132.00 139.68 1k0h h PRO 46 Ca -0.17 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.46 1k0h h PRO 46 Cb 1.05 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1k0h h PRO 46 CO 0.54 0.29 -2.52 0.39 -0.21 0.00 0.00 178.00 176.49 1k0h n GLU 47 N -4.48 0.58 -1.29 1.05 -0.58 -1.26 -5.12 120.64 109.54 1k0h n GLU 47 Ca 0.02 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1k0h n GLU 47 Cb 0.07 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1k0h n GLU 47 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1k0h n ASN 48 N -4.15 -5.02 -4.81 1.62 4.05 -1.24 -4.87 115.26 100.85 1k0h n ASN 48 Ca -0.53 0.64 -0.35 0.00 0.45 0.00 0.00 54.58 54.80 1k0h n ASN 48 Cb 0.89 -2.74 -0.06 0.00 1.23 0.00 0.00 39.78 39.09 1k0h n ASN 48 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1k0h s ILE 49 N -0.23 4.41 -1.70 -1.44 2.07 -1.26 -3.72 121.20 119.33 1k0h s ILE 49 Ca 0.00 1.47 -0.01 0.00 -1.41 0.00 0.00 60.65 60.71 1k0h s ILE 49 Cb 0.00 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.80 1k0h s ILE 49 CO 0.00 -0.03 0.07 -0.24 -1.91 0.00 0.00 174.94 172.83 1k0h n SER 50 N 0.09 -5.79 -0.13 4.50 2.88 -1.26 -4.86 113.62 109.05 1k0h n SER 50 Ca 0.03 -0.03 0.04 0.00 -1.33 0.00 0.00 58.87 57.57 1k0h n SER 50 Cb 0.52 -4.80 0.34 0.00 -0.75 0.00 0.00 64.21 59.52 1k0h n SER 50 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1k0h h TYR 51 N -0.17 0.74 -0.69 0.66 3.20 -1.90 -3.39 116.97 115.42 1k0h h TYR 51 Ca -0.49 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.34 1k0h h TYR 51 Cb 1.36 -0.25 -0.16 0.00 1.54 0.00 0.00 36.73 39.22 1k0h h TYR 51 CO 0.57 0.44 -0.34 0.00 -1.64 0.00 0.00 178.16 177.18 1k0h s ALA 52 N -5.67 -3.06 -1.82 1.82 0.00 -1.26 -4.94 121.76 106.83 1k0h s ALA 52 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1k0h s ALA 52 Cb 0.18 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1k0h s ALA 52 CO 0.76 -2.35 0.00 0.41 0.00 0.00 0.00 175.76 174.59 1k0h n GLY 53 N 3.09 1.32 0.00 0.00 0.00 -1.26 -4.93 105.19 103.41 1k0h n GLY 53 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1k0h n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k0h n GLN 54 N -2.53 0.00 0.00 1.61 6.02 -1.26 -4.86 117.38 116.36 1k0h n GLN 54 Ca -0.19 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1k0h n GLN 54 Cb 0.60 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.88 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k0h n GLY 55 N 0.30 1.66 3.68 1.08 0.00 -1.26 -4.94 105.19 105.71 1k0h n GLY 55 Ca 0.00 -0.09 -0.56 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.35 -3.10 1.61 0.24 -1.26 -4.85 118.33 111.31 1k0h n VAL 56 Ca 0.00 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.34 61.78 1k0h n VAL 56 Cb 0.00 -1.36 -0.05 0.00 -1.47 0.00 0.00 33.84 30.95 1k0h n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k0h s ARG 57 N 3.89 3.11 -0.29 7.34 1.70 -1.26 -4.86 118.95 128.58 1k0h s ARG 57 Ca 0.99 -1.00 0.09 0.00 -0.47 0.00 0.00 55.73 55.34 1k0h s ARG 57 Cb -1.00 -4.16 0.52 0.00 -0.57 0.00 0.00 34.95 29.74 1k0h s ARG 57 CO 0.62 -1.40 1.50 1.55 -1.08 0.00 0.00 175.30 176.50 1k0h n VAL 58 N 5.65 2.59 -1.04 4.99 3.14 -1.26 -4.90 118.33 127.49 1k0h n VAL 58 Ca -0.07 -2.59 -0.01 0.00 -2.96 0.00 0.00 64.34 58.71 1k0h n VAL 58 Cb 0.44 -0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 32.89 1k0h n VAL 58 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1k0h n GLU 59 N -1.06 -0.95 -2.87 1.45 1.02 -1.26 -3.52 120.64 113.45 1k0h n GLU 59 Ca 0.34 0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1k0h n GLU 59 Cb 1.08 -4.09 -0.01 0.00 -0.02 0.00 0.00 31.44 28.40 1k0h n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k0h n GLY 60 N -1.12 -0.49 5.15 0.62 0.00 -1.26 -3.60 105.19 104.49 1k0h n GLY 60 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1k0h n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k0h n SER 61 N -1.83 0.00 0.00 1.61 7.64 -1.23 -4.22 113.62 115.59 1k0h n SER 61 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1k0h n SER 61 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1k0h n SER 61 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1k0h n SER 62 N 1.71 0.00 -4.69 6.43 3.41 -1.24 -5.14 113.62 114.10 1k0h n SER 62 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1k0h n SER 62 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1k0h n SER 62 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1k0h s PRO 63 N -0.11 3.21 0.33 4.33 0.04 -1.26 -4.30 135.00 137.24 1k0h s PRO 63 Ca 0.00 -0.37 0.08 0.00 0.04 0.00 0.00 61.00 60.75 1k0h s PRO 63 Cb 0.00 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 1k0h s PRO 63 CO 0.00 0.63 0.21 -1.54 0.04 0.00 0.00 177.00 176.34 1k0h s SER 64 N -0.67 5.04 -0.05 6.66 1.04 -0.15 -0.08 113.70 125.48 1k0h s SER 64 Ca 0.11 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1k0h s SER 64 Cb -0.12 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.07 1k0h s SER 64 CO 0.02 -0.28 -0.15 -0.22 0.98 0.00 0.00 173.24 173.59 1k0h s LEU 65 N -3.91 2.70 -0.38 2.42 0.20 0.31 0.16 118.68 120.18 1k0h s LEU 65 Ca 0.38 -0.21 -0.17 0.00 0.69 0.00 0.00 54.13 54.82 1k0h s LEU 65 Cb -0.05 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1k0h s LEU 65 CO 0.25 0.34 0.42 -0.36 -0.29 0.00 0.00 176.35 176.71 1k0h s PHE 66 N -0.69 3.18 0.31 5.38 0.40 -0.35 -4.68 117.98 121.55 1k0h s PHE 66 Ca 0.11 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.36 1k0h s PHE 66 Cb -0.11 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 1k0h s PHE 66 CO 0.01 -0.58 0.16 0.54 0.70 0.00 0.00 175.22 176.05 1k0h s VAL 67 N 2.14 3.44 -0.12 -0.44 0.11 -1.26 -2.10 120.40 122.18 1k0h s VAL 67 Ca 0.13 -1.61 -0.09 0.00 -2.93 0.00 0.00 61.98 57.48 1k0h s VAL 67 Cb -0.17 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.58 1k0h s VAL 67 CO 0.13 -0.24 -0.18 0.54 -3.33 0.00 0.00 175.10 172.02 1k0h n ARG 68 N -1.16 0.37 0.00 1.54 3.00 -1.22 -4.98 116.66 114.20 1k0h n ARG 68 Ca -0.04 0.37 0.00 0.00 -0.01 0.00 0.00 57.85 58.17 1k0h n ARG 68 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.66 1k0h n ARG 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1k0h n THR 69 N -4.06 0.00 -1.82 0.55 -1.04 -1.26 -5.05 114.28 101.60 1k0h n THR 69 Ca -0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1k0h n THR 69 Cb 0.26 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.75 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 -0.38 0.05 8.00 2.03 -1.26 -4.95 116.55 120.04 1k0h n ASP 70 Ca 0.00 -1.13 -0.11 0.00 0.52 0.00 0.00 54.79 54.07 1k0h n ASP 70 Cb 0.00 0.11 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1k0h h GLU 71 N 0.00 0.43 -0.74 -0.67 4.81 -2.00 -3.11 114.58 113.31 1k0h h GLU 71 Ca -0.21 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 1k0h h GLU 71 Cb 0.97 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1k0h h GLU 71 CO -0.11 1.01 0.29 -0.39 -0.73 0.00 0.00 179.01 179.08 1k0h h VAL 72 N 0.29 1.25 -0.89 0.32 -1.51 -1.95 -1.45 116.25 112.31 1k0h h VAL 72 Ca -0.04 -0.79 0.22 0.00 -1.23 0.00 0.00 66.70 64.86 1k0h h VAL 72 Cb 1.35 0.38 -0.06 0.00 -2.13 0.00 0.00 31.29 30.83 1k0h h VAL 72 CO 0.13 0.32 0.61 -0.09 -1.23 0.00 0.00 177.57 177.31 1k0h h ARG 73 N 1.07 0.24 0.00 5.19 1.12 -1.92 0.85 114.38 120.92 1k0h h ARG 73 Ca 0.25 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 1k0h h ARG 73 Cb 0.21 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1k0h h ARG 73 CO -0.02 0.16 -0.55 1.96 -3.11 0.00 0.00 179.97 178.41 1k0h h GLN 74 N 0.25 0.00 -5.03 0.20 4.20 -1.35 -3.41 115.11 109.97 1k0h h GLN 74 Ca 0.45 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.80 1k0h h GLN 74 Cb 1.37 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.20 1k0h h GLN 74 CO -0.12 0.34 1.00 -0.11 -0.67 0.00 0.00 178.83 179.27 1k0h n LEU 75 N -3.12 1.93 -4.78 1.46 0.00 0.29 -4.90 117.00 107.89 1k0h n LEU 75 Ca 0.01 -2.33 -0.33 0.00 0.00 0.00 0.00 56.01 53.36 1k0h n LEU 75 Cb 0.69 -1.22 0.04 0.00 0.00 0.00 0.00 43.42 42.93 1k0h n LEU 75 CO 0.39 -2.30 0.73 -0.13 0.00 0.00 0.00 177.39 176.08 1k0h s ARG 76 N 7.14 2.92 0.49 1.96 1.81 -1.26 -4.94 118.95 127.06 1k0h s ARG 76 Ca 0.72 1.32 -0.19 0.00 -1.72 0.00 0.00 55.73 55.86 1k0h s ARG 76 Cb 0.05 -1.97 -0.14 0.00 -0.45 0.00 0.00 34.95 32.44 1k0h s ARG 76 CO 0.22 -1.14 0.06 -2.13 -0.68 0.00 0.00 175.30 171.63 1k0h n ARG 77 N -2.38 0.11 -1.31 3.54 0.63 -1.26 -3.83 116.66 112.17 1k0h n ARG 77 Ca 0.10 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1k0h n ARG 77 Cb 0.52 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.29 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 2.31 1.02 3.01 5.14 0.00 -1.26 -5.09 105.19 110.31 1k0h n GLY 78 Ca 0.09 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.58 0.23 0.08 1.61 1.01 -1.25 -4.73 116.67 111.04 1k0h s ASP 79 Ca 0.00 -0.50 0.08 0.00 0.71 0.00 0.00 52.55 52.84 1k0h s ASP 79 Cb 0.00 0.12 -0.04 0.00 1.01 0.00 0.00 42.92 44.02 1k0h s ASP 79 CO 0.00 -0.34 -0.20 -0.89 0.21 0.00 0.00 175.17 173.96 1k0h s THR 80 N -1.66 2.71 0.06 -1.27 2.01 -1.09 -2.81 115.64 113.59 1k0h s THR 80 Ca -0.14 -1.38 -0.00 0.00 0.31 0.00 0.00 61.69 60.48 1k0h s THR 80 Cb -0.08 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1k0h s THR 80 CO -0.01 0.23 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.63 1k0h s LEU 81 N -1.75 2.47 -0.06 4.42 2.34 0.29 -0.30 118.68 126.08 1k0h s LEU 81 Ca 0.16 -0.95 0.04 0.00 0.06 0.00 0.00 54.13 53.43 1k0h s LEU 81 Cb -0.10 0.14 0.00 0.00 -0.56 0.00 0.00 46.19 45.67 1k0h s LEU 81 CO 0.07 -0.54 -0.18 0.42 -1.06 0.00 0.00 176.35 175.06 1k0h s THR 82 N -3.61 1.53 -0.12 5.48 -4.23 0.21 0.19 115.64 115.08 1k0h s THR 82 Ca 0.05 -0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 1k0h s THR 82 Cb 0.06 -1.34 0.04 0.00 1.34 0.00 0.00 72.50 72.60 1k0h s THR 82 CO -0.08 0.44 0.43 -0.51 -0.54 0.00 0.00 174.62 174.36 1k0h s ILE 83 N 0.29 0.01 0.00 2.99 2.07 -1.26 0.19 121.20 125.49 1k0h s ILE 83 Ca -0.11 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1k0h s ILE 83 Cb -0.15 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.80 1k0h s ILE 83 CO 0.04 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1k0h n GLY 84 N 2.32 0.47 0.39 1.50 0.00 -1.08 0.22 105.19 109.01 1k0h n GLY 84 Ca -0.16 0.51 0.18 0.00 0.00 0.00 0.00 46.02 46.55 1k0h n GLY 84 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k0h h GLU 85 N 0.00 0.33 0.00 1.61 -0.00 -1.93 -3.45 114.58 111.14 1k0h h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1k0h h GLU 85 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1k0h h GLU 85 CO 0.00 0.22 0.00 -0.85 -0.00 0.00 0.00 179.01 178.38 1k0h n GLU 86 N -4.46 0.00 -3.56 1.06 0.28 0.59 -5.05 120.64 109.50 1k0h n GLU 86 Ca 0.16 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.93 1k0h n GLU 86 Cb 0.62 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.34 1k0h n GLU 86 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1k0h s ASN 87 N -2.00 1.87 -0.01 -1.84 -0.87 -1.16 -4.08 114.94 106.84 1k0h s ASN 87 Ca 0.00 -0.42 0.01 0.00 -1.57 0.00 0.00 52.86 50.89 1k0h s ASN 87 Cb 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.29 1k0h s ASN 87 CO 0.00 -0.34 -0.04 -0.36 -2.57 0.00 0.00 177.10 173.79 1k0h s PHE 88 N 2.23 0.41 0.02 2.20 0.40 0.49 -4.25 117.98 119.48 1k0h s PHE 88 Ca 0.04 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1k0h s PHE 88 Cb -0.16 -0.29 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 1k0h s PHE 88 CO -0.10 -0.03 -0.10 -0.46 0.70 0.00 0.00 175.22 175.23 1k0h s TRP 89 N 0.06 0.89 -0.52 0.36 -0.11 0.05 0.10 118.94 119.77 1k0h s TRP 89 Ca -0.00 -0.30 -0.25 0.00 1.22 0.00 0.00 56.10 56.77 1k0h s TRP 89 Cb -0.04 -0.54 0.03 0.00 -1.50 0.00 0.00 33.47 31.42 1k0h s TRP 89 CO -0.00 -0.01 0.97 0.08 -4.62 0.00 0.00 176.95 173.37 1k0h s VAL 90 N -0.70 4.37 -2.11 5.86 1.01 -1.12 -1.32 120.40 126.38 1k0h s VAL 90 Ca -0.00 0.55 0.24 0.00 0.00 0.00 0.00 61.98 62.76 1k0h s VAL 90 Cb -0.06 -4.53 0.13 0.00 0.00 0.00 0.00 36.38 31.92 1k0h s VAL 90 CO 0.00 -1.04 1.28 -0.67 0.00 0.00 0.00 175.10 174.68 1k0h n ASP 91 N 7.49 1.85 -2.08 3.32 2.03 0.49 -4.49 116.55 125.17 1k0h n ASP 91 Ca 0.04 -1.41 -0.19 0.00 0.52 0.00 0.00 54.79 53.75 1k0h n ASP 91 Cb 0.48 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1k0h n ASP 91 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k0h n ARG 92 N -0.01 0.00 -0.03 -0.67 1.74 -1.06 -4.74 116.66 111.90 1k0h n ARG 92 Ca 0.11 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1k0h n ARG 92 Cb 0.45 -0.49 -0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1k0h n ARG 92 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k0h h VAL 93 N 0.02 0.00 -1.36 1.55 2.07 -1.94 -3.47 116.25 113.13 1k0h h VAL 93 Ca -0.20 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1k0h h VAL 93 Cb 0.71 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.19 1k0h h VAL 93 CO 0.21 0.00 0.66 -0.55 0.02 0.00 0.00 177.57 177.91 1k0h s SER 94 N -4.29 -0.26 -1.20 0.57 0.15 -1.26 -5.03 113.70 102.37 1k0h s SER 94 Ca -0.04 0.48 -0.21 0.00 0.70 0.00 0.00 55.95 56.89 1k0h s SER 94 Cb 0.00 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1k0h s SER 94 CO 0.05 -0.11 1.80 -2.16 1.20 0.00 0.00 173.24 174.03 1k0h s PRO 95 N -0.04 3.28 0.19 5.44 0.04 -1.26 -4.52 135.00 138.12 1k0h s PRO 95 Ca 0.05 -1.49 0.04 0.00 0.04 0.00 0.00 61.00 59.64 1k0h s PRO 95 Cb -0.04 -5.38 -0.01 0.00 0.04 0.00 0.00 34.50 29.10 1k0h s PRO 95 CO -0.09 -3.00 0.17 -0.25 0.04 0.00 0.00 177.00 173.87 1k0h n ASP 96 N 11.12 -0.44 -4.57 6.66 9.92 -1.26 -5.01 116.55 132.97 1k0h n ASP 96 Ca 0.45 -2.20 -0.41 0.00 -0.53 0.00 0.00 54.79 52.11 1k0h n ASP 96 Cb 0.47 0.99 -0.03 0.00 -0.64 0.00 0.00 41.12 41.91 1k0h n ASP 96 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1k0h s ASP 97 N -2.28 5.91 0.00 -2.24 -4.77 -1.26 -3.07 116.67 108.96 1k0h s ASP 97 Ca 0.21 0.43 0.00 0.00 -3.30 0.00 0.00 52.55 49.90 1k0h s ASP 97 Cb 0.01 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1k0h s ASP 97 CO 0.15 -1.85 0.00 0.61 0.70 0.00 0.00 175.17 174.78 1k0h n GLY 98 N 5.38 4.10 1.41 2.12 0.00 -1.26 -4.93 105.19 112.00 1k0h n GLY 98 Ca 0.15 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 5.74 3.76 -0.02 0.00 -1.20 -5.02 105.19 108.45 1k0h n GLY 99 Ca 0.00 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1k0h n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k0h s SER 100 N -3.26 6.53 -0.62 1.61 0.01 -1.17 -4.34 113.70 112.45 1k0h s SER 100 Ca 0.46 0.62 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 1k0h s SER 100 Cb 0.40 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 1k0h s SER 100 CO -0.01 0.16 0.52 0.00 0.41 0.00 0.00 173.24 174.32 1k0h n HIS 102 N -2.62 0.00 -2.87 0.00 -0.00 -1.26 -5.08 115.22 103.39 1k0h n HIS 102 Ca -0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.55 1k0h n HIS 102 Cb 0.59 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 30.53 1k0h n HIS 102 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1k0h n LEU 103 N -2.57 -5.50 -4.83 0.27 0.00 -1.26 -2.91 117.00 100.20 1k0h n LEU 103 Ca -0.02 1.50 -0.37 0.00 0.00 0.00 0.00 56.01 57.13 1k0h n LEU 103 Cb 0.52 -2.44 -0.06 0.00 0.00 0.00 0.00 43.42 41.44 1k0h n LEU 103 CO 0.01 -3.23 -0.10 0.26 0.00 0.00 0.00 177.39 174.33 1k0h s TRP 104 N -0.54 3.57 0.28 1.96 0.51 -1.26 0.11 118.94 123.57 1k0h s TRP 104 Ca -0.12 0.58 0.08 0.00 -2.12 0.00 0.00 56.10 54.53 1k0h s TRP 104 Cb 0.01 -2.09 -0.04 0.00 -0.81 0.00 0.00 33.47 30.54 1k0h s TRP 104 CO 0.40 0.58 0.10 -0.51 -0.51 0.00 0.00 176.95 177.01 1k0h s LEU 105 N -0.59 3.43 -0.22 2.99 1.02 0.88 0.19 118.68 126.39 1k0h s LEU 105 Ca 0.15 -0.53 -0.03 0.00 0.02 0.00 0.00 54.13 53.74 1k0h s LEU 105 Cb -0.13 -1.96 0.11 0.00 0.02 0.00 0.00 46.19 44.24 1k0h s LEU 105 CO 0.05 -0.08 0.29 -0.83 0.02 0.00 0.00 176.35 175.80 1k0h s GLY 106 N -3.78 -0.19 -0.18 -3.19 0.00 -0.44 -4.59 107.32 94.96 1k0h s GLY 106 Ca 0.33 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 1k0h s GLY 106 CO 0.22 2.37 0.22 0.50 0.00 0.00 0.00 173.10 176.41 1k0h s ARG 107 N 2.43 4.20 0.50 2.90 0.52 -1.26 -0.77 118.95 127.47 1k0h s ARG 107 Ca 0.09 -0.05 0.32 0.00 -0.52 0.00 0.00 55.73 55.57 1k0h s ARG 107 Cb -0.15 -3.42 1.29 0.00 0.52 0.00 0.00 34.95 33.19 1k0h s ARG 107 CO -0.14 0.28 1.94 0.78 0.02 0.00 0.00 175.30 178.19 1k0h h GLY 108 N 6.61 0.00 -4.92 -3.53 0.00 -1.93 -3.43 103.07 95.88 1k0h h GLY 108 Ca -0.42 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.30 1k0h h GLY 108 CO 0.75 0.00 -0.86 0.14 0.00 0.00 0.00 176.54 176.57 1k0h s VAL 109 N -3.60 1.69 1.05 4.60 1.01 -1.26 -5.09 120.40 118.79 1k0h s VAL 109 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1k0h s VAL 109 Cb 0.09 -1.42 0.22 0.00 0.00 0.00 0.00 36.38 35.27 1k0h s VAL 109 CO 0.52 0.48 1.07 -2.16 0.00 0.00 0.00 175.10 175.01 1k0h s PRO 110 N -0.32 -0.02 0.00 2.72 0.04 -1.26 -4.86 135.00 131.30 1k0h s PRO 110 Ca 0.03 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1k0h s PRO 110 Cb -0.10 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1k0h s PRO 110 CO 0.01 -3.18 0.00 -2.30 0.04 0.00 0.00 177.00 171.57 1k0h n PRO 111 N -4.56 1.98 -2.91 0.56 -0.02 -1.26 -4.80 135.00 123.99 1k0h n PRO 111 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 1k0h n PRO 111 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.05 1k0h n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k0h n ALA 112 N -3.00 -2.27 -0.00 3.55 0.00 -1.26 -4.98 120.51 112.55 1k0h n ALA 112 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1k0h n ALA 112 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 19.45 16.25 1k0h n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k0h n VAL 113 N -2.32 0.02 0.22 0.00 0.31 -1.26 -4.74 118.33 110.55 1k0h n VAL 113 Ca -0.03 -0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1k0h n VAL 113 Cb 0.55 0.26 -0.08 0.00 -0.91 0.00 0.00 33.84 33.66 1k0h n VAL 113 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1k0h h ASN 114 N 0.00 -0.54 -0.46 4.52 2.35 -1.97 -3.48 115.58 116.01 1k0h h ASN 114 Ca -0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1k0h h ASN 114 Cb 0.24 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1k0h h ASN 114 CO 0.00 -0.34 0.00 0.54 -1.65 0.00 0.00 177.43 175.98 1k0h n ARG 115 N -5.34 0.00 -0.65 0.81 5.12 -1.26 -4.05 116.66 111.29 1k0h n ARG 115 Ca -0.10 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.89 1k0h n ARG 115 Cb 0.25 0.00 0.31 0.00 -1.16 0.00 0.00 32.46 31.86 1k0h n ARG 115 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1k0h n ARG 116 N -0.91 3.63 0.00 5.56 5.12 -1.26 -5.24 116.66 123.55 1k0h n ARG 116 Ca 0.00 -2.99 0.14 0.00 -1.93 0.00 0.00 57.85 53.08 1k0h n ARG 116 Cb 0.00 -2.02 0.54 0.00 -1.16 0.00 0.00 32.46 29.83 1k0h n ARG 116 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24