#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 0.81 -0.11 -5.12 0.00 -1.26 -5.03 121.76 111.05 1k0h s ALA 2 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1k0h s ALA 2 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1k0h s ALA 2 CO 0.00 -0.94 -0.22 -0.25 0.00 0.00 0.00 175.76 174.35 1k0h n ASP 3 N 5.12 1.30 -4.76 0.00 9.92 -1.26 -4.98 116.55 121.89 1k0h n ASP 3 Ca -0.08 0.22 -0.40 0.00 -0.53 0.00 0.00 54.79 54.00 1k0h n ASP 3 Cb 0.48 -0.63 -0.05 0.00 -0.64 0.00 0.00 41.12 40.29 1k0h n ASP 3 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1k0h s PHE 4 N -2.28 3.67 -0.30 1.24 5.36 -1.26 -5.03 117.98 119.39 1k0h s PHE 4 Ca -0.18 1.76 -0.18 0.00 -0.96 0.00 0.00 56.93 57.36 1k0h s PHE 4 Cb 0.03 -3.19 0.20 0.00 -0.34 0.00 0.00 43.02 39.72 1k0h s PHE 4 CO 0.27 -0.27 1.26 0.16 -1.46 0.00 0.00 175.22 175.19 1k0h s ASP 5 N -1.02 -0.09 -0.12 6.13 -4.77 -1.26 -5.07 116.67 110.46 1k0h s ASP 5 Ca 0.45 0.13 -0.12 0.00 -3.30 0.00 0.00 52.55 49.71 1k0h s ASP 5 Cb -0.29 1.09 -0.04 0.00 -1.09 0.00 0.00 42.92 42.59 1k0h s ASP 5 CO 0.37 -0.02 -0.24 0.59 0.70 0.00 0.00 175.17 176.57 1k0h n ASN 6 N 4.17 1.33 -2.38 2.11 5.03 -1.26 -4.76 115.26 119.49 1k0h n ASN 6 Ca -0.10 0.23 -0.27 0.00 0.87 0.00 0.00 54.58 55.31 1k0h n ASN 6 Cb 0.56 -0.66 0.01 0.00 -1.02 0.00 0.00 39.78 38.66 1k0h n ASN 6 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1k0h n LEU 7 N -3.84 5.02 0.00 3.41 4.32 -1.26 -5.00 117.00 119.65 1k0h n LEU 7 Ca -0.10 -5.05 0.00 0.00 -0.02 0.00 0.00 56.01 50.84 1k0h n LEU 7 Cb 0.36 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 1k0h n LEU 7 CO 0.14 2.16 0.00 0.33 -1.22 0.00 0.00 177.39 178.80 1k0h n PHE 8 N -0.56 0.00 0.00 -1.77 -0.00 -1.26 -1.57 117.46 112.30 1k0h n PHE 8 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 1k0h n PHE 8 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.19 1k0h n PHE 8 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1k0h n ASP 9 N 1.36 0.00 -3.10 -2.13 9.92 -1.26 -4.92 116.55 116.41 1k0h n ASP 9 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 1k0h n ASP 9 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1k0h n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0h n ALA 10 N -1.71 7.09 -1.63 2.24 0.00 -1.13 -4.59 120.51 120.78 1k0h n ALA 10 Ca 0.00 -3.41 -0.16 0.00 0.00 0.00 0.00 53.44 49.87 1k0h n ALA 10 Cb 0.00 -2.94 -0.06 0.00 0.00 0.00 0.00 19.45 16.45 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 2.64 -0.32 0.00 0.00 0.00 -1.22 -3.97 120.51 117.63 1k0h n ALA 11 Ca 0.66 0.24 0.00 0.00 0.00 0.00 0.00 53.44 54.34 1k0h n ALA 11 Cb 0.36 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.33 0.00 0.00 0.00 0.00 -0.61 -4.98 119.36 111.44 1k0h n ILE 12 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.59 1k0h n ILE 12 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.19 1k0h n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k0h n ALA 13 N -0.83 0.00 0.00 1.51 0.00 -1.25 -4.68 120.51 115.26 1k0h n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1k0h n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.50 0.00 -1.38 0.00 0.63 -1.26 -2.83 116.66 111.32 1k0h n ARG 14 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1k0h n ARG 14 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k0h n ALA 15 N 0.00 0.18 -2.51 5.13 0.00 -1.26 -4.99 120.51 117.06 1k0h n ALA 15 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 1k0h n ALA 15 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 1k0h n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k0h s ASP 16 N -1.55 2.86 0.35 0.00 1.01 -1.26 -5.17 116.67 112.92 1k0h s ASP 16 Ca 0.09 -1.75 0.07 0.00 0.71 0.00 0.00 52.55 51.66 1k0h s ASP 16 Cb -0.01 0.63 -0.01 0.00 1.01 0.00 0.00 42.92 44.54 1k0h s ASP 16 CO 0.06 -1.01 0.49 -1.61 0.21 0.00 0.00 175.17 173.30 1k0h s GLU 17 N -3.62 3.05 -1.42 8.23 2.02 -1.26 -4.44 118.70 121.26 1k0h s GLU 17 Ca 0.23 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1k0h s GLU 17 Cb 0.01 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1k0h s GLU 17 CO 0.16 -0.01 0.00 2.41 0.02 0.00 0.00 175.26 177.84 1k0h n THR 18 N -1.68 -0.32 -2.68 3.63 -1.04 -1.26 -4.87 114.28 106.06 1k0h n THR 18 Ca 0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.97 1k0h n THR 18 Cb 0.58 -1.86 0.07 0.00 -1.82 0.00 0.00 70.33 67.31 1k0h n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k0h n ILE 19 N -3.23 0.00 0.06 12.58 3.06 -1.26 -5.06 119.36 125.51 1k0h n ILE 19 Ca -0.16 -0.83 0.00 0.00 -2.50 0.00 0.00 62.75 59.26 1k0h n ILE 19 Cb 0.55 1.17 0.00 0.00 0.54 0.00 0.00 39.64 41.90 1k0h n ILE 19 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1k0h n ARG 20 N 1.46 0.00 -4.82 9.51 0.63 -1.26 -4.76 116.66 117.41 1k0h n ARG 20 Ca 0.02 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.63 1k0h n ARG 20 Cb 0.69 -0.25 -0.15 0.00 0.45 0.00 0.00 32.46 33.20 1k0h n ARG 20 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1k0h s GLY 21 N -3.99 1.51 0.41 5.14 0.00 -1.26 -5.12 107.32 104.01 1k0h s GLY 21 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.88 1k0h s GLY 21 CO 0.00 -0.20 0.02 -0.19 0.00 0.00 0.00 173.10 172.74 1k0h s TYR 22 N 0.38 2.52 -1.14 1.90 2.02 -1.26 -5.07 117.35 116.71 1k0h s TYR 22 Ca -0.12 -0.66 -0.06 0.00 -0.37 0.00 0.00 57.07 55.86 1k0h s TYR 22 Cb -0.16 -1.79 0.27 0.00 -0.40 0.00 0.00 41.96 39.88 1k0h s TYR 22 CO 0.06 0.43 1.54 -1.33 -1.57 0.00 0.00 175.55 174.68 1k0h n MET 23 N -0.99 4.13 -2.02 -0.62 2.81 -1.26 -4.76 117.12 114.41 1k0h n MET 23 Ca -0.05 -4.27 -0.26 0.00 -1.81 0.00 0.00 57.70 51.31 1k0h n MET 23 Cb 0.67 -2.64 0.02 0.00 -0.71 0.00 0.00 33.22 30.56 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 1.95 6.26 3.82 3.03 0.00 -1.26 -5.04 105.19 113.95 1k0h n GLY 24 Ca 0.30 -2.64 -0.38 0.00 0.00 0.00 0.00 46.02 43.29 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 -4.80 5.01 -0.10 2.61 -1.32 -1.26 -5.07 115.64 110.70 1k0h s THR 25 Ca 0.52 0.90 0.04 0.00 -1.21 0.00 0.00 61.69 61.94 1k0h s THR 25 Cb 0.42 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1k0h s THR 25 CO -0.02 0.54 -0.24 -0.44 -2.21 0.00 0.00 174.62 172.26 1k0h s SER 26 N -0.87 3.11 0.03 8.08 0.01 -1.26 -3.12 113.70 119.67 1k0h s SER 26 Ca 0.25 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 57.02 1k0h s SER 26 Cb -0.17 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 1k0h s SER 26 CO 0.14 0.16 -0.21 0.00 0.41 0.00 0.00 173.24 173.73 1k0h s ALA 27 N 0.36 1.81 -0.07 1.44 0.00 0.35 -3.49 121.76 122.17 1k0h s ALA 27 Ca -0.18 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1k0h s ALA 27 Cb -0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1k0h s ALA 27 CO 0.08 0.42 -0.24 0.99 0.00 0.00 0.00 175.76 177.01 1k0h s THR 28 N -0.72 2.11 -0.21 0.00 2.01 0.49 0.20 115.64 119.52 1k0h s THR 28 Ca 0.08 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 1k0h s THR 28 Cb -0.09 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1k0h s THR 28 CO 0.01 0.57 0.13 -0.63 -0.69 0.00 0.00 174.62 174.01 1k0h s ILE 29 N -0.02 5.29 -0.32 1.82 -1.09 0.39 0.58 121.20 127.86 1k0h s ILE 29 Ca -0.08 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1k0h s ILE 29 Cb -0.15 -3.43 0.10 0.00 -1.58 0.00 0.00 42.46 37.41 1k0h s ILE 29 CO 0.05 0.41 0.12 0.28 -1.23 0.00 0.00 174.94 174.57 1k0h s THR 30 N 0.60 0.74 0.13 2.92 -1.32 0.11 -1.92 115.64 116.89 1k0h s THR 30 Ca 0.07 -1.40 0.06 0.00 -1.21 0.00 0.00 61.69 59.21 1k0h s THR 30 Cb -0.12 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.27 1k0h s THR 30 CO 0.00 -0.72 -0.01 -0.94 -2.21 0.00 0.00 174.62 170.75 1k0h s SER 31 N 1.57 4.88 0.31 8.08 1.04 -1.26 -2.99 113.70 125.33 1k0h s SER 31 Ca 0.11 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1k0h s SER 31 Cb -0.18 -1.10 0.79 0.00 0.10 0.00 0.00 66.02 65.63 1k0h s SER 31 CO -0.24 0.14 1.77 1.23 0.98 0.00 0.00 173.24 177.12 1k0h h GLY 32 N 3.13 1.79 0.00 7.32 0.00 -1.97 -0.17 103.07 113.16 1k0h h GLY 32 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1k0h h GLY 32 CO 0.58 -0.11 0.00 1.18 0.00 0.00 0.00 176.54 178.20 1k0h n GLU 33 N -4.78 0.00 -3.20 4.80 1.02 -1.26 -4.57 120.64 112.65 1k0h n GLU 33 Ca 0.24 0.31 -0.23 0.00 -0.02 0.00 0.00 57.16 57.46 1k0h n GLU 33 Cb 0.62 -1.24 -0.06 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.31 0.82 -1.96 3.49 7.27 -1.17 -5.11 117.38 119.41 1k0h n GLN 34 Ca 0.00 -3.30 -0.42 0.00 0.07 0.00 0.00 57.00 53.35 1k0h n GLN 34 Cb 0.00 -1.32 -0.03 0.00 2.41 0.00 0.00 30.24 31.30 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 -1.42 6.62 0.00 1.69 1.04 -0.09 -4.62 113.70 116.92 1k0h s SER 35 Ca 0.36 2.55 0.00 0.00 0.48 0.00 0.00 55.95 59.34 1k0h s SER 35 Cb 0.20 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1k0h s SER 35 CO -0.10 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1k0h n GLY 36 N 3.79 -0.42 2.83 7.32 0.00 -0.81 -4.84 105.19 113.06 1k0h n GLY 36 Ca 0.14 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 -0.31 4.61 0.00 -1.00 -5.01 121.76 119.94 1k0h s ALA 37 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 1k0h s ALA 37 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1k0h s ALA 37 CO 0.00 -0.42 0.23 0.54 0.00 0.00 0.00 175.76 176.11 1k0h s VAL 38 N 1.91 5.29 0.27 0.00 0.11 -1.26 0.15 120.40 126.86 1k0h s VAL 38 Ca -0.01 -0.01 0.12 0.00 -2.93 0.00 0.00 61.98 59.16 1k0h s VAL 38 Cb -0.12 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 1k0h s VAL 38 CO -0.05 0.10 -0.18 0.27 -3.33 0.00 0.00 175.10 171.91 1k0h s ILE 39 N 1.77 2.57 0.07 7.04 -5.25 0.54 -4.97 121.20 122.97 1k0h s ILE 39 Ca 0.07 -2.35 0.02 0.00 -0.99 0.00 0.00 60.65 57.41 1k0h s ILE 39 Cb -0.17 -2.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.86 1k0h s ILE 39 CO 0.11 -0.39 0.11 -0.60 -1.79 0.00 0.00 174.94 172.38 1k0h s ARG 40 N -3.49 3.03 0.00 0.37 3.52 -1.26 0.13 118.95 121.25 1k0h s ARG 40 Ca 0.30 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1k0h s ARG 40 Cb -0.05 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1k0h s ARG 40 CO 0.15 0.58 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 1k0h n GLY 41 N 0.46 4.36 0.00 8.12 0.00 -1.18 -3.57 105.19 113.37 1k0h n GLY 41 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1k0h n GLY 41 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0h n VAL 42 N -1.59 0.00 -4.45 1.61 3.14 -1.03 -4.53 118.33 111.48 1k0h n VAL 42 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1k0h n VAL 42 Cb 0.00 -0.38 -0.15 0.00 -1.06 0.00 0.00 33.84 32.25 1k0h n VAL 42 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1k0h s PHE 43 N 0.00 2.81 -0.07 1.45 2.19 -1.26 -2.55 117.98 120.56 1k0h s PHE 43 Ca 0.00 -1.00 0.03 0.00 0.33 0.00 0.00 56.93 56.29 1k0h s PHE 43 Cb 0.00 -1.92 -0.02 0.00 -1.31 0.00 0.00 43.02 39.77 1k0h s PHE 43 CO 0.00 -0.46 -0.14 0.34 1.83 0.00 0.00 175.22 176.79 1k0h s ASP 44 N 0.86 4.00 -0.32 6.13 2.15 0.40 -4.97 116.67 124.93 1k0h s ASP 44 Ca -0.04 -0.23 -0.01 0.00 0.43 0.00 0.00 52.55 52.71 1k0h s ASP 44 Cb -0.15 -1.01 0.07 0.00 -0.30 0.00 0.00 42.92 41.53 1k0h s ASP 44 CO -0.00 0.30 0.03 1.51 -0.17 0.00 0.00 175.17 176.84 1k0h s ASP 45 N -0.49 4.88 0.28 -0.34 1.47 -1.26 -0.44 116.67 120.78 1k0h s ASP 45 Ca 0.06 -1.55 -0.01 0.00 1.18 0.00 0.00 52.55 52.23 1k0h s ASP 45 Cb -0.12 -1.70 0.40 0.00 -0.34 0.00 0.00 42.92 41.16 1k0h s ASP 45 CO 0.02 -0.32 1.83 -0.65 0.68 0.00 0.00 175.17 176.72 1k0h h PRO 46 N 7.92 0.82 -1.49 2.11 0.11 -1.97 -2.89 132.00 136.62 1k0h h PRO 46 Ca -0.17 -0.17 -0.53 0.00 0.11 0.00 0.00 66.00 65.25 1k0h h PRO 46 Cb 1.05 -0.12 -0.21 0.00 0.11 0.00 0.00 31.00 31.83 1k0h h PRO 46 CO 0.55 0.74 0.64 -1.91 -0.21 0.00 0.00 178.00 177.82 1k0h n GLU 47 N -4.27 2.32 -1.31 1.05 0.00 -1.26 -4.74 120.64 112.42 1k0h n GLU 47 Ca 0.04 -2.51 -0.24 0.00 0.00 0.00 0.00 57.16 54.45 1k0h n GLU 47 Cb 0.23 -2.01 -0.09 0.00 0.00 0.00 0.00 31.44 29.56 1k0h n GLU 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1k0h n ASN 48 N -0.09 6.55 -0.40 4.31 0.23 -1.09 -4.64 115.26 120.13 1k0h n ASN 48 Ca 0.47 -2.77 0.01 0.00 -0.53 0.00 0.00 54.58 51.76 1k0h n ASN 48 Cb 0.56 -1.39 -0.00 0.00 -2.08 0.00 0.00 39.78 36.87 1k0h n ASN 48 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1k0h n ILE 49 N 2.16 0.00 -2.59 1.53 5.41 -1.26 -4.85 119.36 119.75 1k0h n ILE 49 Ca 0.53 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 64.13 1k0h n ILE 49 Cb 0.61 -0.02 0.01 0.00 -0.71 0.00 0.00 39.64 39.54 1k0h n ILE 49 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1k0h n SER 50 N -3.70 -4.69 -3.41 4.38 3.41 -1.26 -4.89 113.62 103.45 1k0h n SER 50 Ca 0.00 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 1k0h n SER 50 Cb 0.03 -3.67 -0.02 0.00 -0.26 0.00 0.00 64.21 60.29 1k0h n SER 50 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1k0h n TYR 51 N -4.10 2.63 0.00 7.33 4.02 -1.26 -4.88 117.16 120.91 1k0h n TYR 51 Ca -0.12 -3.05 0.00 0.00 -0.01 0.00 0.00 57.90 54.72 1k0h n TYR 51 Cb 0.61 -2.43 0.00 0.00 -0.02 0.00 0.00 39.34 37.49 1k0h n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k0h n ALA 52 N 3.83 0.00 0.54 -0.72 0.00 -1.26 0.68 120.51 123.58 1k0h n ALA 52 Ca 0.72 0.00 0.06 0.00 0.00 0.00 0.00 53.44 54.22 1k0h n ALA 52 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 -0.12 6.60 0.00 0.00 -1.26 -5.11 105.19 105.30 1k0h n GLY 53 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.10 -0.08 0.00 1.61 1.13 0.22 -5.01 117.38 115.15 1k0h n GLN 54 Ca 0.05 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1k0h n GLN 54 Cb 0.26 -0.10 0.00 0.00 0.11 0.00 0.00 30.24 30.51 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k0h n GLY 55 N -0.16 1.79 3.33 1.08 0.00 -1.26 -5.04 105.19 104.93 1k0h n GLY 55 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 -0.97 0.00 1.61 0.11 -1.26 -5.01 120.40 112.87 1k0h s VAL 56 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1k0h s VAL 56 Cb 0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1k0h s VAL 56 CO 0.00 -0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.31 1k0h n ARG 57 N 5.43 0.00 -2.02 1.54 5.12 -1.26 -4.62 116.66 120.85 1k0h n ARG 57 Ca -0.05 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.78 1k0h n ARG 57 Cb 0.50 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.79 1k0h n ARG 57 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1k0h n VAL 58 N 0.00 -0.27 0.00 1.55 3.14 -1.26 -4.62 118.33 116.87 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 0.00 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 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 -2.31 0.00 0.00 1.45 -0.00 -1.26 -5.06 120.64 113.46 1k0h n GLU 59 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.06 1k0h n GLU 59 Cb 0.47 -0.65 0.00 0.00 -0.00 0.00 0.00 31.44 31.26 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 2.59 4.34 0.06 -1.84 0.00 -1.26 -5.10 105.19 103.98 1k0h n GLY 60 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.36 0.00 1.61 7.64 -1.26 -5.06 113.62 116.91 1k0h n SER 61 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1k0h n SER 61 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.87 0.00 -4.85 6.43 3.41 -1.26 -5.09 113.62 109.38 1k0h n SER 62 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.22 1k0h n SER 62 Cb 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.90 3.39 0.32 4.33 0.04 -1.26 -4.15 135.00 136.78 1k0h s PRO 63 Ca 0.00 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 60.95 1k0h s PRO 63 Cb 0.00 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1k0h s PRO 63 CO 0.00 0.77 0.24 -1.54 0.04 0.00 0.00 177.00 176.51 1k0h s SER 64 N -1.00 5.19 -0.05 6.66 1.04 0.42 -0.04 113.70 125.92 1k0h s SER 64 Ca 0.15 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.10 1k0h s SER 64 Cb -0.12 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 1k0h s SER 64 CO 0.04 -0.29 -0.16 -0.22 0.98 0.00 0.00 173.24 173.59 1k0h s LEU 65 N -3.94 2.65 -0.38 2.42 0.20 0.32 0.15 118.68 120.11 1k0h s LEU 65 Ca 0.39 -0.23 -0.15 0.00 0.69 0.00 0.00 54.13 54.83 1k0h s LEU 65 Cb -0.06 -1.53 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 1k0h s LEU 65 CO 0.25 0.34 0.32 -0.36 -0.29 0.00 0.00 176.35 176.61 1k0h s PHE 66 N -0.67 3.22 0.29 5.38 0.40 -1.06 -4.58 117.98 120.96 1k0h s PHE 66 Ca 0.10 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1k0h s PHE 66 Cb -0.11 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 1k0h s PHE 66 CO 0.01 -0.51 0.22 0.54 0.70 0.00 0.00 175.22 176.18 1k0h s VAL 67 N 1.86 3.98 -0.01 -0.44 0.11 -1.26 -2.47 120.40 122.16 1k0h s VAL 67 Ca 0.08 -1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 57.70 1k0h s VAL 67 Cb -0.18 -3.27 -0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1k0h s VAL 67 CO 0.11 -0.27 -0.01 -0.09 -3.33 0.00 0.00 175.10 171.51 1k0h h ARG 68 N 1.42 0.00 0.00 1.54 9.65 -1.98 -3.48 114.38 121.53 1k0h h ARG 68 Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1k0h h ARG 68 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1k0h h ARG 68 CO 0.60 0.00 0.00 0.25 2.80 0.00 0.00 179.97 183.62 1k0h n THR 69 N -2.39 0.00 -1.81 0.20 -2.24 -1.26 -5.04 114.28 101.75 1k0h n THR 69 Ca -0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1k0h n THR 69 Cb 0.02 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1k0h n THR 69 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k0h n ASP 70 N 0.00 -0.27 -0.01 3.42 2.03 -1.26 -5.00 116.55 115.45 1k0h n ASP 70 Ca 0.00 -0.66 -0.16 0.00 0.52 0.00 0.00 54.79 54.48 1k0h n ASP 70 Cb 0.00 0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.05 0.26 -0.80 -0.67 4.81 -1.98 -3.21 114.58 113.03 1k0h h GLU 71 Ca -0.14 -0.30 0.17 0.00 -0.13 0.00 0.00 59.36 58.96 1k0h h GLU 71 Cb 0.80 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1k0h h GLU 71 CO -0.07 1.03 0.54 -0.39 -0.73 0.00 0.00 179.01 179.39 1k0h h VAL 72 N -0.37 0.76 -0.62 0.32 -1.51 -1.95 0.77 116.25 113.65 1k0h h VAL 72 Ca -0.06 -0.14 0.16 0.00 -1.23 0.00 0.00 66.70 65.43 1k0h h VAL 72 Cb 1.19 0.31 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 1k0h h VAL 72 CO 0.08 0.07 0.43 -0.09 -1.23 0.00 0.00 177.57 176.84 1k0h h ARG 73 N 0.41 0.12 0.00 5.19 1.12 -1.95 0.48 114.38 119.74 1k0h h ARG 73 Ca 0.40 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 59.22 1k0h h ARG 73 Cb 0.96 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1k0h h ARG 73 CO -0.14 0.08 -0.67 1.96 -3.11 0.00 0.00 179.97 178.09 1k0h h GLN 74 N 0.12 0.00 -4.18 0.20 4.20 0.43 -3.40 115.11 112.48 1k0h h GLN 74 Ca 0.30 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.57 1k0h h GLN 74 Cb 1.00 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.83 1k0h h GLN 74 CO -0.04 0.14 1.98 1.28 -0.67 0.00 0.00 178.83 181.53 1k0h n LEU 75 N -2.95 3.01 -4.67 1.46 4.32 0.17 -4.90 117.00 113.44 1k0h n LEU 75 Ca -0.00 -2.28 -0.34 0.00 -0.02 0.00 0.00 56.01 53.37 1k0h n LEU 75 Cb 0.63 -0.88 0.12 0.00 -1.62 0.00 0.00 43.42 41.66 1k0h n LEU 75 CO 0.39 -0.54 0.71 0.54 -1.22 0.00 0.00 177.39 177.27 1k0h n ARG 76 N 6.00 0.27 -1.58 3.23 5.12 -1.26 -4.86 116.66 123.57 1k0h n ARG 76 Ca 0.38 0.16 -0.47 0.00 -1.93 0.00 0.00 57.85 56.00 1k0h n ARG 76 Cb 0.25 -2.39 -0.03 0.00 -1.16 0.00 0.00 32.46 29.13 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 -2.94 1.24 0.00 5.56 0.00 -1.26 -3.77 116.66 115.49 1k0h n ARG 77 Ca 0.13 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.42 1k0h n ARG 77 Cb 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 31.09 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 1.70 1.98 2.93 5.14 0.00 -1.26 -5.12 105.19 110.56 1k0h n GLY 78 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1k0h n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k0h s ASP 79 N -2.00 0.07 -0.06 1.61 2.15 -1.25 -4.69 116.67 112.51 1k0h s ASP 79 Ca 0.00 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.84 1k0h s ASP 79 Cb 0.00 0.07 -0.03 0.00 -0.30 0.00 0.00 42.92 42.66 1k0h s ASP 79 CO 0.00 -0.13 -0.11 -0.89 -0.17 0.00 0.00 175.17 173.87 1k0h s THR 80 N -0.58 3.36 0.13 1.71 2.01 -1.16 -2.81 115.64 118.31 1k0h s THR 80 Ca -0.06 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1k0h s THR 80 Cb -0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1k0h s THR 80 CO -0.00 0.59 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.94 1k0h s LEU 81 N -0.79 2.49 -0.10 4.42 2.34 0.35 -0.71 118.68 126.68 1k0h s LEU 81 Ca 0.12 -0.95 0.04 0.00 0.06 0.00 0.00 54.13 53.40 1k0h s LEU 81 Cb -0.11 -0.33 -0.00 0.00 -0.56 0.00 0.00 46.19 45.19 1k0h s LEU 81 CO 0.01 -0.31 -0.23 0.42 -1.06 0.00 0.00 176.35 175.18 1k0h s THR 82 N -3.06 2.18 0.00 5.48 -4.23 0.20 0.19 115.64 116.39 1k0h s THR 82 Ca 0.13 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1k0h s THR 82 Cb 0.01 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1k0h s THR 82 CO 0.00 0.56 0.00 0.00 -0.54 0.00 0.00 174.62 174.64 1k0h n ILE 83 N 3.45 0.00 -0.08 2.99 3.06 -1.26 0.18 119.36 127.70 1k0h n ILE 83 Ca -0.19 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.92 1k0h n ILE 83 Cb 0.53 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.67 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 0.94 -1.74 4.50 0.00 -1.90 -2.65 103.07 102.23 1k0h h GLY 84 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1k0h h GLY 84 CO 0.00 0.98 0.00 1.18 0.00 0.00 0.00 176.54 178.70 1k0h n GLU 85 N -4.04 2.29 -1.52 4.80 -0.58 -1.26 -4.88 120.64 115.44 1k0h n GLU 85 Ca -0.04 -1.49 -0.16 0.00 -0.42 0.00 0.00 57.16 55.05 1k0h n GLU 85 Cb 0.61 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 1k0h n GLU 85 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1k0h n GLU 86 N 0.54 -1.11 -3.54 3.49 1.02 -1.00 -4.52 120.64 115.52 1k0h n GLU 86 Ca 0.14 1.03 -0.18 0.00 -0.02 0.00 0.00 57.16 58.14 1k0h n GLU 86 Cb 0.47 -5.22 -0.13 0.00 -0.02 0.00 0.00 31.44 26.54 1k0h n GLU 86 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1k0h s ASN 87 N -2.79 1.17 -0.04 1.62 2.47 -1.26 -4.39 114.94 111.71 1k0h s ASN 87 Ca 0.00 -0.05 -0.02 0.00 0.42 0.00 0.00 52.86 53.22 1k0h s ASN 87 Cb 0.00 0.40 0.03 0.00 -1.45 0.00 0.00 41.25 40.23 1k0h s ASN 87 CO 0.00 -0.30 0.08 -0.36 -3.72 0.00 0.00 177.10 172.80 1k0h s PHE 88 N 2.33 -0.03 0.05 0.43 0.40 0.51 -4.34 117.98 117.33 1k0h s PHE 88 Ca 0.06 0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.78 1k0h s PHE 88 Cb -0.15 -0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1k0h s PHE 88 CO -0.11 -0.16 -0.23 -1.58 0.70 0.00 0.00 175.22 173.84 1k0h s TRP 89 N 1.55 2.41 -0.52 0.36 0.52 0.10 0.13 118.94 123.49 1k0h s TRP 89 Ca -0.04 -0.35 -0.26 0.00 0.02 0.00 0.00 56.10 55.47 1k0h s TRP 89 Cb -0.12 -1.41 0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1k0h s TRP 89 CO -0.04 0.19 1.02 0.54 0.02 0.00 0.00 176.95 178.67 1k0h s VAL 90 N -0.87 4.31 -1.78 4.03 0.11 -1.12 -0.12 120.40 124.95 1k0h s VAL 90 Ca 0.13 0.67 0.25 0.00 -2.93 0.00 0.00 61.98 60.10 1k0h s VAL 90 Cb -0.10 -4.56 0.16 0.00 -1.53 0.00 0.00 36.38 30.35 1k0h s VAL 90 CO 0.03 -1.07 1.39 -0.67 -3.33 0.00 0.00 175.10 171.46 1k0h n ASP 91 N 7.64 1.31 -2.81 3.54 2.03 0.49 -4.55 116.55 124.20 1k0h n ASP 91 Ca 0.06 -1.06 -0.25 0.00 0.52 0.00 0.00 54.79 54.06 1k0h n ASP 91 Cb 0.48 0.27 0.02 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 -0.52 0.00 -3.71 -0.67 1.74 -1.03 -4.77 116.66 107.70 1k0h n ARG 92 Ca 0.11 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 1k0h n ARG 92 Cb 0.38 -0.69 -0.12 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.39 -0.11 -0.55 1.55 1.01 -1.26 -4.83 120.40 114.83 1k0h s VAL 93 Ca 0.30 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 1k0h s VAL 93 Cb -0.17 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1k0h s VAL 93 CO 0.55 0.06 0.64 -0.24 0.00 0.00 0.00 175.10 176.11 1k0h n SER 94 N 4.43 -7.15 -0.33 3.32 2.88 -1.26 -4.88 113.62 110.62 1k0h n SER 94 Ca -0.22 0.11 0.02 0.00 -1.33 0.00 0.00 58.87 57.45 1k0h n SER 94 Cb 0.53 -4.29 0.19 0.00 -0.75 0.00 0.00 64.21 59.89 1k0h n SER 94 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1k0h h PRO 95 N 1.43 1.12 -5.69 -1.46 0.11 -2.01 -3.42 132.00 122.08 1k0h h PRO 95 Ca -0.17 -0.07 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 1k0h h PRO 95 Cb 1.12 -0.25 -0.06 0.00 0.11 0.00 0.00 31.00 31.91 1k0h h PRO 95 CO 0.25 0.74 -0.48 -0.51 -0.21 0.00 0.00 178.00 177.79 1k0h s ASP 96 N -6.05 6.39 -0.04 -2.05 1.11 -1.26 -4.75 116.67 110.01 1k0h s ASP 96 Ca -0.12 0.44 -0.04 0.00 0.18 0.00 0.00 52.55 53.02 1k0h s ASP 96 Cb 0.19 -2.05 0.01 0.00 1.07 0.00 0.00 42.92 42.14 1k0h s ASP 96 CO 0.81 0.37 0.07 0.47 1.18 0.00 0.00 175.17 178.07 1k0h n ASP 97 N 1.69 -4.24 0.00 0.27 8.00 -1.26 -4.97 116.55 116.04 1k0h n ASP 97 Ca -0.17 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1k0h n ASP 97 Cb 0.54 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 1k0h n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k0h n GLY 98 N 1.13 -0.20 0.00 0.44 0.00 -1.26 -4.96 105.19 100.34 1k0h n GLY 98 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.02 7.00 -0.02 0.00 -1.26 -5.16 105.19 105.77 1k0h n GLY 99 Ca 0.00 -0.01 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 1.44 0.00 0.00 0.00 173.32 174.76 1k0h n SER 100 N -0.54 -2.64 -0.77 1.61 7.64 -1.26 -4.88 113.62 112.78 1k0h n SER 100 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1k0h n SER 100 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -3.50 0.00 -2.69 0.00 8.25 -1.26 -5.02 115.22 111.00 1k0h n HIS 102 Ca -0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.34 1k0h n HIS 102 Cb 0.44 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1k0h n HIS 102 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1k0h n LEU 103 N -2.80 -5.48 -4.78 2.41 7.94 -1.26 -1.84 117.00 111.19 1k0h n LEU 103 Ca -0.00 1.93 -0.37 0.00 -1.11 0.00 0.00 56.01 56.46 1k0h n LEU 103 Cb 0.50 -2.71 -0.07 0.00 0.53 0.00 0.00 43.42 41.68 1k0h n LEU 103 CO 0.00 -3.51 -0.03 0.26 -1.11 0.00 0.00 177.39 173.00 1k0h s TRP 104 N -0.44 3.54 0.27 1.96 0.51 -1.26 0.12 118.94 123.64 1k0h s TRP 104 Ca -0.17 0.64 0.07 0.00 -2.12 0.00 0.00 56.10 54.52 1k0h s TRP 104 Cb 0.01 -2.24 -0.03 0.00 -0.81 0.00 0.00 33.47 30.39 1k0h s TRP 104 CO 0.46 0.42 0.21 -0.51 -0.51 0.00 0.00 176.95 177.01 1k0h s LEU 105 N -0.13 3.76 -0.27 2.99 1.02 0.94 0.18 118.68 127.18 1k0h s LEU 105 Ca 0.17 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.98 1k0h s LEU 105 Cb -0.13 -2.31 0.09 0.00 0.02 0.00 0.00 46.19 43.86 1k0h s LEU 105 CO 0.05 -0.09 0.11 -0.83 0.02 0.00 0.00 176.35 175.61 1k0h s GLY 106 N -3.87 0.63 0.22 -3.19 0.00 0.83 -4.50 107.32 97.44 1k0h s GLY 106 Ca 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1k0h s GLY 106 CO 0.25 1.84 0.40 0.50 0.00 0.00 0.00 173.10 176.09 1k0h s ARG 107 N 1.97 3.50 0.00 2.90 0.52 -1.26 -0.73 118.95 125.85 1k0h s ARG 107 Ca 0.07 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1k0h s ARG 107 Cb -0.16 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1k0h s ARG 107 CO -0.27 0.38 0.08 0.41 0.02 0.00 0.00 175.30 175.92 1k0h n GLY 108 N -0.87 0.35 3.84 -3.53 0.00 -1.26 -5.01 105.19 98.72 1k0h n GLY 108 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.78 -3.49 1.61 3.14 -1.26 -4.91 118.33 112.64 1k0h n VAL 109 Ca 0.00 -0.18 -0.25 0.00 -2.96 0.00 0.00 64.34 60.95 1k0h n VAL 109 Cb 0.29 -0.67 -0.02 0.00 -1.06 0.00 0.00 33.84 32.39 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 -5.76 3.52 -0.00 1.45 0.04 -1.26 -5.06 135.00 127.92 1k0h s PRO 110 Ca 0.15 -0.30 -0.05 0.00 0.04 0.00 0.00 61.00 60.85 1k0h s PRO 110 Cb -0.08 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 1k0h s PRO 110 CO 0.30 0.24 0.68 -1.35 0.04 0.00 0.00 177.00 176.91 1k0h h PRO 111 N 1.28 -0.17 -5.27 0.56 0.11 -1.94 -3.41 132.00 123.16 1k0h h PRO 111 Ca -0.49 0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1k0h h PRO 111 Cb 1.21 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1k0h h PRO 111 CO 0.64 -0.11 0.99 0.00 -0.21 0.00 0.00 178.00 179.30 1k0h n ALA 112 N -2.15 0.61 0.00 -0.75 0.00 -1.26 -3.99 120.51 112.97 1k0h n ALA 112 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1k0h n ALA 112 Cb 0.07 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 7.72 0.00 -0.77 0.00 0.31 -1.26 -5.00 118.33 119.33 1k0h n VAL 113 Ca 0.52 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.49 1k0h n VAL 113 Cb 0.34 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.21 1k0h n VAL 113 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1k0h n ASN 114 N -1.33 2.11 -3.67 4.52 2.85 -1.26 -4.75 115.26 113.73 1k0h n ASN 114 Ca 0.00 -2.50 -0.19 0.00 -0.11 0.00 0.00 54.58 51.78 1k0h n ASN 114 Cb 0.00 -0.86 -0.17 0.00 1.24 0.00 0.00 39.78 39.99 1k0h n ASN 114 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k0h s ARG 115 N 5.40 -0.04 0.55 1.20 1.70 -1.26 -5.16 118.95 121.35 1k0h s ARG 115 Ca 0.53 0.43 0.08 0.00 -0.47 0.00 0.00 55.73 56.30 1k0h s ARG 115 Cb 0.13 -0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.16 1k0h s ARG 115 CO 0.16 -0.32 0.67 0.54 -1.08 0.00 0.00 175.30 175.27 1k0h n ARG 116 N 5.27 0.64 0.00 3.89 5.12 -1.26 -5.26 116.66 125.06 1k0h n ARG 116 Ca -0.04 -3.12 0.00 0.00 -1.93 0.00 0.00 57.85 52.76 1k0h n ARG 116 Cb 0.50 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 1k0h n ARG 116 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59