#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 -0.82 -2.12 3.17 0.00 -1.26 -4.07 120.51 115.42 1k0h n ALA 2 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 1k0h n ALA 2 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.18 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 -2.06 -5.08 -4.07 0.00 -0.08 -1.26 -5.00 116.55 99.00 1k0h n ASP 3 Ca -0.14 0.73 -0.35 0.00 -1.51 0.00 0.00 54.79 53.52 1k0h n ASP 3 Cb 0.63 -3.22 -0.11 0.00 2.34 0.00 0.00 41.12 40.76 1k0h n ASP 3 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1k0h s PHE 4 N -0.85 3.39 -0.31 -0.67 0.40 -1.26 -4.86 117.98 113.83 1k0h s PHE 4 Ca 0.00 -2.79 0.18 0.00 -0.60 0.00 0.00 56.93 53.73 1k0h s PHE 4 Cb -0.00 -3.13 0.46 0.00 0.51 0.00 0.00 43.02 40.86 1k0h s PHE 4 CO 0.40 -0.83 1.21 -3.47 0.70 0.00 0.00 175.22 173.23 1k0h n ASP 5 N 3.50 0.44 -0.72 1.36 -0.08 -1.26 -4.91 116.55 114.89 1k0h n ASP 5 Ca 0.07 -2.25 0.09 0.00 -1.51 0.00 0.00 54.79 51.19 1k0h n ASP 5 Cb 0.37 -0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.75 1k0h n ASP 5 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1k0h n ASN 6 N -0.73 -4.31 -1.54 1.67 5.15 -1.26 -5.06 115.26 109.19 1k0h n ASN 6 Ca 0.00 0.48 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1k0h n ASN 6 Cb 0.83 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.78 1k0h n ASN 6 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1k0h n LEU 7 N -3.30 -5.42 -4.26 1.20 4.77 -1.26 -4.99 117.00 103.74 1k0h n LEU 7 Ca -0.02 2.57 -0.33 0.00 -0.03 0.00 0.00 56.01 58.20 1k0h n LEU 7 Cb 0.33 -2.38 -0.16 0.00 -2.33 0.00 0.00 43.42 38.89 1k0h n LEU 7 CO 0.01 -0.76 -0.50 0.12 -1.33 0.00 0.00 177.39 174.94 1k0h s PHE 8 N -1.39 2.72 0.00 -1.77 5.36 -1.26 -4.85 117.98 116.79 1k0h s PHE 8 Ca 0.00 -1.01 0.00 0.00 -0.96 0.00 0.00 56.93 54.96 1k0h s PHE 8 Cb 0.00 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 1k0h s PHE 8 CO 0.00 -0.43 0.00 -3.47 -1.46 0.00 0.00 175.22 169.86 1k0h n ASP 9 N 3.84 0.00 -0.14 6.13 2.03 -1.26 -4.50 116.55 122.66 1k0h n ASP 9 Ca -0.19 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.10 1k0h n ASP 9 Cb 0.52 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1k0h n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0h n ALA 10 N 0.00 -0.03 -1.44 -1.67 0.00 -1.26 -4.87 120.51 111.24 1k0h n ALA 10 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1k0h n ALA 10 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.03 1.40 0.00 0.00 0.00 -1.26 -4.89 120.51 116.79 1k0h n ALA 11 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1k0h n ALA 11 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 0.00 0.00 -2.62 0.00 0.13 -1.26 -5.02 119.36 110.59 1k0h n ILE 12 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.22 1k0h n ILE 12 Cb 0.57 -0.46 -0.02 0.00 -0.84 0.00 0.00 39.64 38.89 1k0h n ILE 12 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1k0h s ALA 13 N -1.78 3.66 -0.10 1.51 0.00 -1.26 -4.89 121.76 118.90 1k0h s ALA 13 Ca 0.00 0.25 0.20 0.00 0.00 0.00 0.00 51.96 52.41 1k0h s ALA 13 Cb 0.00 -3.55 0.43 0.00 0.00 0.00 0.00 23.12 20.00 1k0h s ALA 13 CO 0.00 -1.03 1.18 2.89 0.00 0.00 0.00 175.76 178.81 1k0h n ARG 14 N 6.23 0.76 0.00 0.00 1.85 -1.26 -4.96 116.66 119.28 1k0h n ARG 14 Ca 0.12 -2.60 0.00 0.00 -1.00 0.00 0.00 57.85 54.37 1k0h n ARG 14 Cb 0.46 -0.71 0.00 0.00 -1.05 0.00 0.00 32.46 31.16 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k0h n ALA 15 N -0.13 0.00 0.00 2.89 0.00 -1.26 -5.06 120.51 116.95 1k0h n ALA 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1k0h n ALA 15 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 0.00 0.00 -1.59 0.00 -0.08 -1.26 -5.14 116.55 108.48 1k0h n ASP 16 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1k0h n ASP 16 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1k0h n ASP 16 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1k0h n GLU 17 N 0.00 -4.10 -0.96 -0.67 2.13 -1.26 -4.99 120.64 110.79 1k0h n GLU 17 Ca 0.00 3.01 0.05 0.00 0.66 0.00 0.00 57.16 60.87 1k0h n GLU 17 Cb 0.00 -3.16 -0.03 0.00 0.27 0.00 0.00 31.44 28.53 1k0h n GLU 17 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1k0h n THR 18 N 1.08 -1.33 -3.82 6.31 -1.04 -1.26 -5.04 114.28 109.18 1k0h n THR 18 Ca 0.00 0.79 -0.12 0.00 -2.04 0.00 0.00 64.05 62.68 1k0h n THR 18 Cb 0.00 -1.28 -0.11 0.00 -1.82 0.00 0.00 70.33 67.12 1k0h n THR 18 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k0h s ILE 19 N -4.46 0.04 -0.12 12.58 2.07 -1.26 -5.09 121.20 124.96 1k0h s ILE 19 Ca 0.00 -0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 58.83 1k0h s ILE 19 Cb 0.00 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 1k0h s ILE 19 CO 0.00 -0.17 -0.21 0.54 -1.91 0.00 0.00 174.94 173.19 1k0h n ARG 20 N 2.23 0.37 -1.61 3.50 1.74 -1.26 -4.88 116.66 116.76 1k0h n ARG 20 Ca -0.17 0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 1k0h n ARG 20 Cb 0.57 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1k0h n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k0h s GLY 21 N -4.17 0.51 0.03 -0.13 0.00 -1.26 -4.88 107.32 97.41 1k0h s GLY 21 Ca -0.17 0.78 -0.33 0.00 0.00 0.00 0.00 44.72 44.99 1k0h s GLY 21 CO 0.26 3.80 1.83 -1.72 0.00 0.00 0.00 173.10 177.27 1k0h n TYR 22 N 11.70 2.42 -3.22 1.90 4.01 -1.26 -4.93 117.16 127.78 1k0h n TYR 22 Ca 0.30 -0.05 -0.45 0.00 -0.16 0.00 0.00 57.90 57.54 1k0h n TYR 22 Cb 0.45 -2.68 -0.06 0.00 -0.31 0.00 0.00 39.34 36.74 1k0h n TYR 22 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1k0h s MET 23 N 3.22 3.05 -0.24 -0.72 -1.94 -1.26 -4.88 119.30 116.53 1k0h s MET 23 Ca 0.87 -1.25 0.20 0.00 -1.71 0.00 0.00 55.69 53.80 1k0h s MET 23 Cb -0.60 -4.19 0.49 0.00 2.01 0.00 0.00 34.83 32.54 1k0h s MET 23 CO 0.44 -1.29 1.14 0.41 -0.01 0.00 0.00 175.02 175.70 1k0h n GLY 24 N 5.22 2.76 3.81 -0.03 0.00 -1.26 -5.09 105.19 110.61 1k0h n GLY 24 Ca -0.10 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.52 4.98 -0.16 2.61 -1.32 -1.26 -5.07 115.64 111.89 1k0h s THR 25 Ca 0.33 0.97 0.01 0.00 -1.21 0.00 0.00 61.69 61.79 1k0h s THR 25 Cb 0.35 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.56 1k0h s THR 25 CO -0.04 0.52 -0.17 -0.44 -2.21 0.00 0.00 174.62 172.29 1k0h s SER 26 N -0.77 3.47 -0.00 8.08 0.01 -1.26 -3.17 113.70 120.06 1k0h s SER 26 Ca 0.26 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.04 1k0h s SER 26 Cb -0.17 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.51 1k0h s SER 26 CO 0.14 0.06 -0.18 0.00 0.41 0.00 0.00 173.24 173.67 1k0h s ALA 27 N 0.97 1.54 -0.09 1.44 0.00 0.80 -3.34 121.76 123.07 1k0h s ALA 27 Ca -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1k0h s ALA 27 Cb -0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1k0h s ALA 27 CO -0.03 0.37 -0.21 0.99 0.00 0.00 0.00 175.76 176.87 1k0h s THR 28 N -0.52 2.37 -0.21 0.00 2.01 0.55 0.19 115.64 120.03 1k0h s THR 28 Ca 0.07 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 1k0h s THR 28 Cb -0.07 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1k0h s THR 28 CO -0.00 0.56 0.08 -0.63 -0.69 0.00 0.00 174.62 173.94 1k0h s ILE 29 N 0.13 4.79 -0.31 1.82 -1.09 0.20 0.60 121.20 127.34 1k0h s ILE 29 Ca -0.11 -0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1k0h s ILE 29 Cb -0.16 -3.19 0.10 0.00 -1.58 0.00 0.00 42.46 37.63 1k0h s ILE 29 CO 0.06 0.41 0.11 0.28 -1.23 0.00 0.00 174.94 174.58 1k0h s THR 30 N 0.77 0.71 0.21 2.92 -1.32 0.01 -1.61 115.64 117.33 1k0h s THR 30 Ca 0.04 -1.35 0.10 0.00 -1.21 0.00 0.00 61.69 59.27 1k0h s THR 30 Cb -0.13 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 1k0h s THR 30 CO 0.02 -0.71 -0.10 -0.94 -2.21 0.00 0.00 174.62 170.68 1k0h s SER 31 N 1.63 4.16 0.57 8.08 1.04 -1.26 -3.31 113.70 124.60 1k0h s SER 31 Ca 0.10 -0.67 0.33 0.00 0.48 0.00 0.00 55.95 56.19 1k0h s SER 31 Cb -0.18 -0.65 1.79 0.00 0.10 0.00 0.00 66.02 67.08 1k0h s SER 31 CO -0.25 0.08 2.00 1.23 0.98 0.00 0.00 173.24 177.27 1k0h h GLY 32 N 2.64 0.00 0.00 7.32 0.00 -1.98 -1.97 103.07 109.08 1k0h h GLY 32 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1k0h h GLY 32 CO 0.56 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.28 1k0h n GLU 33 N -2.77 0.00 -3.36 4.80 1.02 -1.26 -4.81 120.64 114.26 1k0h n GLU 33 Ca -0.02 0.32 -0.26 0.00 -0.02 0.00 0.00 57.16 57.19 1k0h n GLU 33 Cb 0.19 -0.82 -0.08 0.00 -0.02 0.00 0.00 31.44 30.71 1k0h n GLU 33 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1k0h n GLN 34 N -2.10 1.46 -2.80 3.49 7.27 -1.20 -5.10 117.38 118.41 1k0h n GLN 34 Ca 0.00 -3.88 -0.41 0.00 0.07 0.00 0.00 57.00 52.78 1k0h n GLN 34 Cb 0.00 -1.75 -0.05 0.00 2.41 0.00 0.00 30.24 30.86 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 -1.60 7.41 0.00 1.69 1.04 -0.75 -4.42 113.70 117.08 1k0h s SER 35 Ca 0.36 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1k0h s SER 35 Cb 0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1k0h s SER 35 CO -0.08 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1k0h n GLY 36 N 2.30 0.65 2.97 7.32 0.00 -0.63 -4.85 105.19 112.95 1k0h n GLY 36 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.03 -0.40 -0.26 4.61 0.00 -1.07 -5.02 121.76 119.59 1k0h s ALA 37 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1k0h s ALA 37 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1k0h s ALA 37 CO 0.00 -0.28 0.20 0.54 0.00 0.00 0.00 175.76 176.22 1k0h s VAL 38 N 1.48 5.32 0.23 0.00 0.11 -1.26 0.62 120.40 126.90 1k0h s VAL 38 Ca -0.07 0.22 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1k0h s VAL 38 Cb -0.11 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1k0h s VAL 38 CO -0.07 0.29 0.00 0.27 -3.33 0.00 0.00 175.10 172.26 1k0h s ILE 39 N 1.43 3.57 -0.17 7.04 -5.25 0.50 -4.95 121.20 123.37 1k0h s ILE 39 Ca 0.08 -1.71 -0.09 0.00 -0.99 0.00 0.00 60.65 57.94 1k0h s ILE 39 Cb -0.15 -2.86 -0.05 0.00 2.95 0.00 0.00 42.46 42.35 1k0h s ILE 39 CO 0.08 -0.27 0.12 -0.60 -1.79 0.00 0.00 174.94 172.48 1k0h s ARG 40 N -3.39 3.92 0.00 0.37 3.52 -1.26 -0.14 118.95 121.96 1k0h s ARG 40 Ca 0.30 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1k0h s ARG 40 Cb -0.08 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1k0h s ARG 40 CO 0.19 0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 1k0h n GLY 41 N 3.04 3.39 3.40 8.12 0.00 -1.19 -2.08 105.19 119.87 1k0h n GLY 41 Ca -0.17 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1k0h n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k0h s VAL 42 N -2.00 1.18 -0.24 1.61 1.01 -1.17 -4.52 120.40 116.26 1k0h s VAL 42 Ca 0.00 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.74 1k0h s VAL 42 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1k0h s VAL 42 CO 0.00 -0.17 0.64 0.12 0.00 0.00 0.00 175.10 175.70 1k0h s PHE 43 N -3.32 3.30 -0.11 5.22 2.19 -1.26 -1.73 117.98 122.28 1k0h s PHE 43 Ca 0.33 0.86 -0.03 0.00 0.33 0.00 0.00 56.93 58.42 1k0h s PHE 43 Cb 0.07 -2.85 -0.03 0.00 -1.31 0.00 0.00 43.02 38.90 1k0h s PHE 43 CO 0.12 -0.30 0.01 -0.51 1.83 0.00 0.00 175.22 176.37 1k0h s ASP 44 N 1.40 5.27 -0.26 6.13 1.11 0.47 -4.94 116.67 125.85 1k0h s ASP 44 Ca 0.27 0.11 0.01 0.00 0.18 0.00 0.00 52.55 53.13 1k0h s ASP 44 Cb -0.16 -1.60 0.07 0.00 1.07 0.00 0.00 42.92 42.30 1k0h s ASP 44 CO 0.09 0.33 -0.03 -0.62 1.18 0.00 0.00 175.17 176.12 1k0h s ASP 45 N -0.56 4.11 0.14 0.27 -1.08 -1.26 -0.02 116.67 118.26 1k0h s ASP 45 Ca 0.10 -1.43 -0.17 0.00 -0.52 0.00 0.00 52.55 50.53 1k0h s ASP 45 Cb -0.12 -1.27 -0.01 0.00 -1.46 0.00 0.00 42.92 40.06 1k0h s ASP 45 CO 0.02 -0.28 1.73 -0.65 0.52 0.00 0.00 175.17 176.52 1k0h h PRO 46 N 7.89 0.52 -1.76 4.34 0.11 -1.97 -3.04 132.00 138.08 1k0h h PRO 46 Ca -0.15 -0.07 -0.70 0.00 0.11 0.00 0.00 66.00 65.19 1k0h h PRO 46 Cb 1.05 -0.10 -0.32 0.00 0.11 0.00 0.00 31.00 31.74 1k0h h PRO 46 CO 0.44 0.44 0.42 0.39 -0.21 0.00 0.00 178.00 179.48 1k0h n GLU 47 N -4.75 2.99 -1.69 1.05 1.02 -1.26 -4.84 120.64 113.17 1k0h n GLU 47 Ca -0.00 -3.85 -0.59 0.00 -0.02 0.00 0.00 57.16 52.70 1k0h n GLU 47 Cb 0.09 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.17 1k0h n GLU 47 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1k0h n ASN 48 N -0.54 1.90 -1.76 1.62 2.85 -1.15 -4.84 115.26 113.33 1k0h n ASN 48 Ca 0.49 1.11 -0.07 0.00 -0.11 0.00 0.00 54.58 56.00 1k0h n ASN 48 Cb 0.41 -1.09 0.26 0.00 1.24 0.00 0.00 39.78 40.60 1k0h n ASN 48 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1k0h n ILE 49 N 3.94 2.85 -1.33 -1.44 -5.35 -1.26 -4.40 119.36 112.37 1k0h n ILE 49 Ca 0.26 -1.93 -0.03 0.00 -0.27 0.00 0.00 62.75 60.78 1k0h n ILE 49 Cb 0.10 -0.36 0.21 0.00 -1.74 0.00 0.00 39.64 37.85 1k0h n ILE 49 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1k0h n SER 50 N -0.57 2.91 -4.62 7.28 7.64 -1.26 -5.00 113.62 120.00 1k0h n SER 50 Ca 0.41 -3.59 -0.28 0.00 1.01 0.00 0.00 58.87 56.41 1k0h n SER 50 Cb 1.33 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 63.79 1k0h n SER 50 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1k0h s TYR 51 N -3.16 2.26 -0.86 1.43 1.51 -1.26 -5.08 117.35 112.19 1k0h s TYR 51 Ca 0.45 -0.80 -0.23 0.00 -1.01 0.00 0.00 57.07 55.48 1k0h s TYR 51 Cb 0.40 -1.65 0.07 0.00 -0.11 0.00 0.00 41.96 40.66 1k0h s TYR 51 CO 0.03 0.31 1.23 0.00 -1.11 0.00 0.00 175.55 176.01 1k0h s ALA 52 N -2.84 2.96 0.00 3.71 0.00 -1.26 -4.40 121.76 119.93 1k0h s ALA 52 Ca 0.27 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1k0h s ALA 52 Cb 0.07 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1k0h s ALA 52 CO 0.14 -3.21 0.00 0.41 0.00 0.00 0.00 175.76 173.09 1k0h n GLY 53 N 5.88 -0.93 2.53 0.00 0.00 -1.26 -4.92 105.19 106.49 1k0h n GLY 53 Ca 0.16 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1k0h n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1k0h n GLN 54 N -0.26 3.53 -1.92 1.61 7.27 -1.26 -4.74 117.38 121.59 1k0h n GLN 54 Ca 0.00 -2.62 -0.37 0.00 0.07 0.00 0.00 57.00 54.08 1k0h n GLN 54 Cb 0.00 -2.95 0.01 0.00 2.41 0.00 0.00 30.24 29.71 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k0h n GLY 55 N 3.44 5.33 2.88 1.69 0.00 -1.26 -4.91 105.19 112.36 1k0h n GLY 55 Ca 0.64 -2.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 1k0h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k0h s VAL 56 N -4.16 -0.02 -0.25 1.61 0.11 -1.26 -5.13 120.40 111.30 1k0h s VAL 56 Ca 0.52 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.65 1k0h s VAL 56 Cb 0.38 -0.08 0.07 0.00 -1.53 0.00 0.00 36.38 35.21 1k0h s VAL 56 CO -0.32 0.03 -0.03 0.00 -3.33 0.00 0.00 175.10 171.45 1k0h s ARG 57 N 0.41 1.53 -0.37 1.54 1.70 -1.26 -4.97 118.95 117.53 1k0h s ARG 57 Ca -0.03 -1.09 0.07 0.00 -0.47 0.00 0.00 55.73 54.21 1k0h s ARG 57 Cb -0.05 -2.60 0.61 0.00 -0.57 0.00 0.00 34.95 32.35 1k0h s ARG 57 CO -0.01 -0.67 1.73 1.55 -1.08 0.00 0.00 175.30 176.82 1k0h n VAL 58 N 4.64 2.91 -1.81 4.99 3.14 -1.26 -4.88 118.33 126.07 1k0h n VAL 58 Ca -0.10 -2.21 -0.13 0.00 -2.96 0.00 0.00 64.34 58.94 1k0h n VAL 58 Cb 0.44 -0.40 -0.03 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.03 -1.00 -4.09 1.45 1.02 -1.26 -5.00 120.64 110.72 1k0h n GLU 59 Ca 0.47 0.82 -0.26 0.00 -0.02 0.00 0.00 57.16 58.17 1k0h n GLU 59 Cb 1.39 -4.98 -0.06 0.00 -0.02 0.00 0.00 31.44 27.78 1k0h n GLU 59 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1k0h s GLY 60 N -2.63 1.70 -0.12 0.62 0.00 -1.26 -5.02 107.32 100.60 1k0h s GLY 60 Ca 0.00 -1.24 0.07 0.00 0.00 0.00 0.00 44.72 43.55 1k0h s GLY 60 CO 0.00 -1.25 1.19 -1.14 0.00 0.00 0.00 173.10 171.91 1k0h n SER 61 N -0.38 -0.94 0.00 1.64 3.41 -1.26 -4.74 113.62 111.34 1k0h n SER 61 Ca -0.08 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1k0h n SER 61 Cb 0.55 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1k0h n SER 61 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1k0h n SER 62 N -0.50 0.00 -4.92 4.04 7.64 -1.26 -5.08 113.62 113.53 1k0h n SER 62 Ca -0.21 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.36 1k0h n SER 62 Cb 0.79 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.95 1k0h n SER 62 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1k0h s PRO 63 N -2.00 3.47 0.23 1.43 0.04 -1.26 -4.15 135.00 132.77 1k0h s PRO 63 Ca 0.00 -0.40 0.04 0.00 0.04 0.00 0.00 61.00 60.68 1k0h s PRO 63 Cb 0.00 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1k0h s PRO 63 CO 0.00 0.56 -0.03 -1.54 0.04 0.00 0.00 177.00 176.04 1k0h s SER 64 N -2.63 2.01 -0.04 6.66 1.04 0.97 -3.03 113.70 118.68 1k0h s SER 64 Ca 0.36 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1k0h s SER 64 Cb -0.12 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1k0h s SER 64 CO 0.28 -0.45 -0.13 -0.22 0.98 0.00 0.00 173.24 173.69 1k0h s LEU 65 N -3.31 2.80 -0.31 2.42 2.96 0.47 0.18 118.68 123.88 1k0h s LEU 65 Ca 0.27 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1k0h s LEU 65 Cb 0.05 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.17 1k0h s LEU 65 CO 0.08 0.33 0.10 -0.36 -1.32 0.00 0.00 176.35 175.18 1k0h s PHE 66 N -0.78 3.19 0.08 5.38 0.40 -0.70 -4.52 117.98 121.01 1k0h s PHE 66 Ca 0.12 -1.12 -0.02 0.00 -0.60 0.00 0.00 56.93 55.32 1k0h s PHE 66 Cb -0.11 -2.27 -0.05 0.00 0.51 0.00 0.00 43.02 41.11 1k0h s PHE 66 CO 0.02 -0.63 0.26 0.54 0.70 0.00 0.00 175.22 176.11 1k0h s VAL 67 N 1.47 5.32 -0.37 -0.44 0.11 -1.26 -3.04 120.40 122.18 1k0h s VAL 67 Ca 0.01 -0.22 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1k0h s VAL 67 Cb -0.18 -3.62 0.63 0.00 -1.53 0.00 0.00 36.38 31.68 1k0h s VAL 67 CO 0.03 0.13 1.62 0.54 -3.33 0.00 0.00 175.10 174.08 1k0h n ARG 68 N 0.30 3.43 0.00 1.54 5.12 -0.88 -4.88 116.66 121.28 1k0h n ARG 68 Ca -0.05 -2.56 0.00 0.00 -1.93 0.00 0.00 57.85 53.31 1k0h n ARG 68 Cb 0.51 -2.08 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 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 0.01 0.00 -1.95 0.55 -1.04 -1.26 -5.03 114.28 105.57 1k0h n THR 69 Ca 0.33 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.30 1k0h n THR 69 Cb 1.20 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.67 1k0h n THR 69 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k0h n ASP 70 N 0.00 -0.58 0.06 8.00 9.92 -1.26 -4.96 116.55 127.73 1k0h n ASP 70 Ca 0.00 -1.50 -0.21 0.00 -0.53 0.00 0.00 54.79 52.55 1k0h n ASP 70 Cb 0.00 0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.51 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1k0h h GLU 71 N 0.00 0.34 -0.92 -1.24 5.08 -1.98 -3.30 114.58 112.56 1k0h h GLU 71 Ca -0.33 -0.58 0.14 0.00 -1.00 0.00 0.00 59.36 57.59 1k0h h GLU 71 Cb 1.18 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 1k0h h GLU 71 CO -0.17 1.28 0.59 -0.39 -1.00 0.00 0.00 179.01 179.32 1k0h h VAL 72 N -0.24 0.85 -0.91 3.13 -1.51 -1.94 0.43 116.25 116.07 1k0h h VAL 72 Ca -0.20 -0.26 0.17 0.00 -1.23 0.00 0.00 66.70 65.18 1k0h h VAL 72 Cb 1.79 0.02 -0.07 0.00 -2.13 0.00 0.00 31.29 30.89 1k0h h VAL 72 CO 0.16 0.14 0.59 -0.09 -1.23 0.00 0.00 177.57 177.14 1k0h h ARG 73 N 0.77 0.56 0.00 5.19 1.12 -1.95 0.64 114.38 120.71 1k0h h ARG 73 Ca 0.46 -0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 59.20 1k0h h ARG 73 Cb 0.67 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1k0h h ARG 73 CO -0.23 0.37 -0.48 1.96 -3.11 0.00 0.00 179.97 178.49 1k0h h GLN 74 N 0.58 0.00 -3.93 0.20 4.20 -0.30 -3.37 115.11 112.49 1k0h h GLN 74 Ca 0.47 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.83 1k0h h GLN 74 Cb 0.92 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.74 1k0h h GLN 74 CO -0.22 0.48 2.02 -0.11 -0.67 0.00 0.00 178.83 180.34 1k0h n LEU 75 N -3.31 3.14 -4.57 1.46 0.00 0.22 -4.90 117.00 109.04 1k0h n LEU 75 Ca 0.01 -2.28 -0.32 0.00 0.00 0.00 0.00 56.01 53.42 1k0h n LEU 75 Cb 0.68 -0.89 0.14 0.00 0.00 0.00 0.00 43.42 43.34 1k0h n LEU 75 CO 0.39 -0.29 0.39 0.54 0.00 0.00 0.00 177.39 178.42 1k0h n ARG 76 N 5.30 -0.24 -1.48 1.96 5.12 -1.26 -4.89 116.66 121.17 1k0h n ARG 76 Ca 0.34 -0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.87 1k0h n ARG 76 Cb 0.18 -2.17 0.04 0.00 -1.16 0.00 0.00 32.46 29.34 1k0h n ARG 76 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1k0h n ARG 77 N -2.96 0.55 -1.30 5.56 0.00 -1.26 -3.86 116.66 113.40 1k0h n ARG 77 Ca 0.10 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 1k0h n ARG 77 Cb 0.52 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.25 1k0h n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0h n GLY 78 N 1.74 1.01 3.04 5.14 0.00 -1.25 -5.09 105.19 109.79 1k0h n GLY 78 Ca 0.12 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.55 0.81 -0.09 1.61 1.11 -1.25 -4.82 116.67 111.49 1k0h s ASP 79 Ca 0.00 -0.48 0.01 0.00 0.18 0.00 0.00 52.55 52.27 1k0h s ASP 79 Cb 0.00 0.02 -0.02 0.00 1.07 0.00 0.00 42.92 43.99 1k0h s ASP 79 CO 0.00 -0.16 -0.13 -0.89 1.18 0.00 0.00 175.17 175.17 1k0h s THR 80 N -1.18 3.15 0.12 -1.27 2.01 -1.21 -2.34 115.64 114.93 1k0h s THR 80 Ca -0.08 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1k0h s THR 80 Cb -0.09 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1k0h s THR 80 CO 0.00 0.56 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.93 1k0h s LEU 81 N -0.21 2.51 -0.09 4.42 2.34 0.32 -0.81 118.68 127.16 1k0h s LEU 81 Ca 0.01 -1.01 0.03 0.00 0.06 0.00 0.00 54.13 53.22 1k0h s LEU 81 Cb -0.13 -0.20 0.01 0.00 -0.56 0.00 0.00 46.19 45.31 1k0h s LEU 81 CO 0.03 -0.41 -0.20 0.42 -1.06 0.00 0.00 176.35 175.14 1k0h s THR 82 N -3.49 1.74 0.00 5.48 -4.23 0.20 0.19 115.64 115.53 1k0h s THR 82 Ca 0.14 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1k0h s THR 82 Cb 0.04 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1k0h s THR 82 CO -0.02 0.49 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 1k0h n ILE 83 N 3.73 0.00 -0.25 2.99 3.06 -1.26 0.20 119.36 127.84 1k0h n ILE 83 Ca -0.20 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.09 1k0h n ILE 83 Cb 0.52 0.00 0.17 0.00 0.54 0.00 0.00 39.64 40.88 1k0h n ILE 83 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1k0h h GLY 84 N 0.00 1.09 -3.60 4.50 0.00 -1.90 1.29 103.07 104.44 1k0h h GLY 84 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 47.33 46.81 1k0h h GLY 84 CO 0.00 -0.09 0.49 -1.84 0.00 0.00 0.00 176.54 175.10 1k0h n GLU 85 N -5.01 2.26 -2.57 4.80 0.00 -1.26 -4.88 120.64 113.98 1k0h n GLU 85 Ca 0.13 -2.51 -0.11 0.00 0.00 0.00 0.00 57.16 54.68 1k0h n GLU 85 Cb 0.40 -1.99 -0.02 0.00 0.00 0.00 0.00 31.44 29.82 1k0h n GLU 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1k0h n GLU 86 N -0.73 -1.87 -3.57 3.44 0.28 0.44 -4.80 120.64 113.84 1k0h n GLU 86 Ca 0.47 0.04 -0.23 0.00 -0.16 0.00 0.00 57.16 57.27 1k0h n GLU 86 Cb 1.43 -3.33 -0.15 0.00 1.43 0.00 0.00 31.44 30.82 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 -1.87 2.01 -0.01 -1.84 -0.87 -1.26 -4.13 114.94 106.98 1k0h s ASN 87 Ca 0.21 -0.48 -0.01 0.00 -1.57 0.00 0.00 52.86 51.01 1k0h s ASN 87 Cb -0.12 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.25 41.09 1k0h s ASN 87 CO 0.26 -0.34 0.03 -0.36 -2.57 0.00 0.00 177.10 174.12 1k0h s PHE 88 N 2.21 0.02 0.01 2.20 0.40 0.51 -4.31 117.98 119.01 1k0h s PHE 88 Ca 0.04 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1k0h s PHE 88 Cb -0.16 -0.02 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1k0h s PHE 88 CO -0.10 -0.06 -0.07 -0.46 0.70 0.00 0.00 175.22 175.22 1k0h s TRP 89 N -0.30 0.66 -0.52 0.36 -0.11 0.04 0.12 118.94 119.18 1k0h s TRP 89 Ca -0.03 -0.21 -0.25 0.00 1.22 0.00 0.00 56.10 56.82 1k0h s TRP 89 Cb -0.02 -0.41 0.04 0.00 -1.50 0.00 0.00 33.47 31.57 1k0h s TRP 89 CO -0.00 -0.02 0.95 0.08 -4.62 0.00 0.00 176.95 173.33 1k0h s VAL 90 N -0.47 4.40 -0.16 5.86 1.01 -0.99 -0.83 120.40 129.22 1k0h s VAL 90 Ca -0.00 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1k0h s VAL 90 Cb -0.05 -4.51 -0.08 0.00 0.00 0.00 0.00 36.38 31.75 1k0h s VAL 90 CO 0.00 -1.02 -0.06 -0.67 0.00 0.00 0.00 175.10 173.35 1k0h n ASP 91 N 7.40 1.83 -0.20 3.32 -0.08 0.41 -3.95 116.55 125.28 1k0h n ASP 91 Ca 0.04 0.57 0.02 0.00 -1.51 0.00 0.00 54.79 53.90 1k0h n ASP 91 Cb 0.48 -0.90 -0.01 0.00 2.34 0.00 0.00 41.12 43.03 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 -4.55 -0.31 -0.61 -0.67 5.12 0.12 -4.79 116.66 110.97 1k0h n ARG 92 Ca -0.16 0.20 -0.29 0.00 -1.93 0.00 0.00 57.85 55.68 1k0h n ARG 92 Cb 0.40 -0.37 0.26 0.00 -1.16 0.00 0.00 32.46 31.59 1k0h n ARG 92 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k0h s VAL 93 N -0.83 1.70 0.63 1.55 -7.23 -1.26 -4.77 120.40 110.20 1k0h s VAL 93 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1k0h s VAL 93 Cb 0.00 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 1k0h s VAL 93 CO 0.00 0.00 1.19 -0.44 -0.31 0.00 0.00 175.10 175.54 1k0h s SER 94 N -2.97 4.95 0.46 4.85 0.01 -1.26 -4.88 113.70 114.87 1k0h s SER 94 Ca 0.68 2.32 0.28 0.00 1.31 0.00 0.00 55.95 60.55 1k0h s SER 94 Cb -0.19 -2.59 1.35 0.00 0.21 0.00 0.00 66.02 64.80 1k0h s SER 94 CO 0.61 -1.75 1.75 -0.65 0.41 0.00 0.00 173.24 173.61 1k0h h PRO 95 N 0.49 0.18 -2.58 12.44 0.11 -1.94 -2.91 132.00 137.78 1k0h h PRO 95 Ca -0.49 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.00 1k0h h PRO 95 Cb 1.29 -0.04 -0.41 0.00 0.11 0.00 0.00 31.00 31.95 1k0h h PRO 95 CO 0.54 0.12 -0.72 -3.47 -0.21 0.00 0.00 178.00 174.26 1k0h n ASP 96 N -4.44 2.24 -3.79 -2.05 -0.08 -1.26 -5.07 116.55 102.10 1k0h n ASP 96 Ca 0.28 -3.06 -0.10 0.00 -1.51 0.00 0.00 54.79 50.41 1k0h n ASP 96 Cb 1.15 -0.68 -0.07 0.00 2.34 0.00 0.00 41.12 43.86 1k0h n ASP 96 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k0h s ASP 97 N -1.43 0.00 -0.38 1.67 -1.08 -1.10 -5.14 116.67 109.21 1k0h s ASP 97 Ca 0.32 -0.49 -0.09 0.00 -0.52 0.00 0.00 52.55 51.76 1k0h s ASP 97 Cb 0.05 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.92 1k0h s ASP 97 CO -0.13 -0.73 0.19 -0.83 0.52 0.00 0.00 175.17 174.20 1k0h s GLY 98 N -2.69 1.92 0.21 2.66 0.00 -1.26 -4.84 107.32 103.32 1k0h s GLY 98 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1k0h s GLY 98 CO -0.10 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1k0h n GLY 99 N 4.94 -0.68 1.39 0.20 0.00 -1.26 -5.14 105.19 104.64 1k0h n GLY 99 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1k0h n GLY 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k0h n SER 100 N -3.10 -7.58 -3.24 1.61 3.41 -1.26 -4.80 113.62 98.67 1k0h n SER 100 Ca 0.00 1.01 -0.18 0.00 -0.26 0.00 0.00 58.87 59.44 1k0h n SER 100 Cb 0.00 -3.55 0.08 0.00 -0.26 0.00 0.00 64.21 60.48 1k0h n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k0h n HIS 102 N -4.19 2.30 -1.52 0.00 -0.00 -1.26 -5.05 115.22 105.50 1k0h n HIS 102 Ca -0.16 -2.53 -0.27 0.00 -0.00 0.00 0.00 57.72 54.76 1k0h n HIS 102 Cb 0.62 -0.25 -0.15 0.00 -0.00 0.00 0.00 29.99 30.20 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 -0.51 0.15 -4.71 2.41 7.99 -1.26 -4.33 117.00 116.73 1k0h n LEU 103 Ca 0.28 -0.56 -0.36 0.00 -0.01 0.00 0.00 56.01 55.36 1k0h n LEU 103 Cb 0.82 -1.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.05 1k0h n LEU 103 CO 0.28 -1.53 -0.12 0.86 -1.51 0.00 0.00 177.39 175.38 1k0h s TRP 104 N 6.99 3.40 0.26 -1.77 -0.00 -1.26 0.18 118.94 126.74 1k0h s TRP 104 Ca 1.20 0.40 0.06 0.00 -0.00 0.00 0.00 56.10 57.76 1k0h s TRP 104 Cb -0.71 -2.25 -0.03 0.00 -0.00 0.00 0.00 33.47 30.47 1k0h s TRP 104 CO 0.41 0.21 0.29 -0.51 -0.00 0.00 0.00 176.95 177.35 1k0h s LEU 105 N 0.59 4.02 -0.25 5.86 1.02 -1.17 0.15 118.68 128.90 1k0h s LEU 105 Ca 0.11 -0.13 -0.04 0.00 0.02 0.00 0.00 54.13 54.09 1k0h s LEU 105 Cb -0.12 -2.57 0.08 0.00 0.02 0.00 0.00 46.19 43.60 1k0h s LEU 105 CO 0.01 -0.10 0.11 -0.83 0.02 0.00 0.00 176.35 175.56 1k0h s GLY 106 N -3.93 0.50 -0.03 -3.19 0.00 -0.01 -4.70 107.32 95.96 1k0h s GLY 106 Ca 0.35 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1k0h s GLY 106 CO 0.27 1.89 0.26 0.50 0.00 0.00 0.00 173.10 176.02 1k0h s ARG 107 N 2.06 3.60 0.21 2.90 0.52 -1.26 -0.78 118.95 126.19 1k0h s ARG 107 Ca 0.06 -0.01 0.24 0.00 -0.52 0.00 0.00 55.73 55.50 1k0h s ARG 107 Cb -0.16 -3.13 0.38 0.00 0.52 0.00 0.00 34.95 32.56 1k0h s ARG 107 CO -0.25 0.69 1.42 0.78 0.02 0.00 0.00 175.30 177.95 1k0h h GLY 108 N 4.35 0.00 -6.30 -3.53 0.00 -1.94 -3.39 103.07 92.25 1k0h h GLY 108 Ca -0.52 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.23 1k0h h GLY 108 CO 0.63 0.00 -0.93 -0.62 0.00 0.00 0.00 176.54 175.62 1k0h n VAL 109 N -2.41 -0.29 -0.28 4.60 0.31 -1.26 -4.99 118.33 114.01 1k0h n VAL 109 Ca 0.03 -4.01 0.10 0.00 -0.01 0.00 0.00 64.34 60.45 1k0h n VAL 109 Cb 0.47 -1.88 0.25 0.00 -0.91 0.00 0.00 33.84 31.78 1k0h n VAL 109 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1k0h h PRO 110 N 4.85 0.30 0.00 5.55 0.11 -1.94 -3.42 132.00 137.45 1k0h h PRO 110 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1k0h h PRO 110 Cb 0.85 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1k0h h PRO 110 CO 0.50 0.20 0.00 -2.30 -0.21 0.00 0.00 178.00 176.19 1k0h n PRO 111 N -5.12 2.14 -2.88 1.05 -0.02 -1.26 -4.88 135.00 124.02 1k0h n PRO 111 Ca 0.19 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 1k0h n PRO 111 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.04 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 -2.37 -3.64 3.55 0.00 -1.26 -4.84 120.51 108.95 1k0h n ALA 112 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.42 1k0h n ALA 112 Cb 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 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 -0.50 -0.01 -0.12 0.00 0.11 -1.26 -4.31 120.40 114.31 1k0h s VAL 113 Ca -0.11 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 1k0h s VAL 113 Cb 0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1k0h s VAL 113 CO 0.38 0.00 1.23 0.20 -3.33 0.00 0.00 175.10 173.58 1k0h s ASN 114 N 1.30 6.99 -0.29 3.54 0.01 -1.26 -5.01 114.94 120.22 1k0h s ASN 114 Ca -0.09 1.75 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1k0h s ASN 114 Cb -0.03 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.12 1k0h s ASN 114 CO -0.14 -0.68 -0.02 -0.13 -1.51 0.00 0.00 177.10 174.62 1k0h s ARG 115 N 2.92 2.51 0.68 -0.60 3.00 -1.26 -5.11 118.95 121.09 1k0h s ARG 115 Ca 0.55 -1.21 -0.07 0.00 0.00 0.00 0.00 55.73 55.00 1k0h s ARG 115 Cb -0.23 -3.13 0.04 0.00 0.00 0.00 0.00 34.95 31.64 1k0h s ARG 115 CO 0.18 -0.57 1.00 1.03 0.00 0.00 0.00 175.30 176.94 1k0h s ARG 116 N 1.26 2.44 0.00 3.54 1.81 -1.26 -5.32 118.95 121.42 1k0h s ARG 116 Ca -0.04 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 1k0h s ARG 116 Cb -0.19 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 1k0h s ARG 116 CO -0.02 -1.10 0.00 2.89 -0.68 0.00 0.00 175.30 176.39