#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 -1.69 -2.60 -5.12 0.00 -1.26 -5.19 120.51 104.65 1k0h n ALA 2 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.53 1k0h n ALA 2 Cb 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1k0h n ALA 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k0h s ASP 3 N -2.67 0.10 0.60 0.00 1.47 -1.26 -5.13 116.67 109.79 1k0h s ASP 3 Ca 0.15 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 53.16 1k0h s ASP 3 Cb -0.03 0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 1k0h s ASP 3 CO 0.06 -0.78 0.00 0.49 0.68 0.00 0.00 175.17 175.62 1k0h n PHE 4 N -0.11 -1.58 -3.63 2.11 3.72 -1.26 -4.99 117.46 111.73 1k0h n PHE 4 Ca -0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.23 1k0h n PHE 4 Cb 0.63 0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 39.30 1k0h n PHE 4 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1k0h s ASP 5 N -4.00 -0.12 -0.16 4.37 2.15 -1.26 -5.05 116.67 112.59 1k0h s ASP 5 Ca 0.00 0.15 0.17 0.00 0.43 0.00 0.00 52.55 53.30 1k0h s ASP 5 Cb 0.00 0.12 -0.25 0.00 -0.30 0.00 0.00 42.92 42.49 1k0h s ASP 5 CO 0.00 -0.11 0.21 -0.46 -0.17 0.00 0.00 175.17 174.65 1k0h n ASN 6 N 0.71 0.21 -0.05 -0.34 0.23 -1.26 -4.25 115.26 110.51 1k0h n ASN 6 Ca -0.04 0.10 0.24 0.00 -0.53 0.00 0.00 54.58 54.35 1k0h n ASN 6 Cb 0.58 0.76 0.72 0.00 -2.08 0.00 0.00 39.78 39.76 1k0h n ASN 6 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1k0h h LEU 7 N 0.00 0.00 -8.53 -4.53 4.07 -2.01 -3.41 115.31 100.90 1k0h h LEU 7 Ca -0.48 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 56.95 1k0h h LEU 7 Cb 2.18 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 43.68 1k0h h LEU 7 CO 0.04 0.00 -0.82 0.12 -1.08 0.00 0.00 178.44 176.70 1k0h s PHE 8 N -4.89 1.63 -0.35 1.13 5.36 -1.26 -4.93 117.98 114.67 1k0h s PHE 8 Ca -0.05 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.48 1k0h s PHE 8 Cb 0.19 -0.95 0.01 0.00 -0.34 0.00 0.00 43.02 41.93 1k0h s PHE 8 CO 0.70 0.11 0.21 -0.25 -1.46 0.00 0.00 175.22 174.53 1k0h n ASP 9 N 1.59 -7.95 -2.73 6.13 8.00 -1.26 -4.78 116.55 115.55 1k0h n ASP 9 Ca -0.18 1.11 -0.06 0.00 0.71 0.00 0.00 54.79 56.37 1k0h n ASP 9 Cb 0.54 -5.32 0.04 0.00 -0.02 0.00 0.00 41.12 36.35 1k0h n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k0h n ALA 10 N 0.34 -2.16 -2.55 2.24 0.00 -1.26 -4.86 120.51 112.27 1k0h n ALA 10 Ca 0.04 -0.96 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 1k0h n ALA 10 Cb 0.16 -1.90 -0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.08 -0.76 0.00 0.00 0.00 -1.26 -4.74 120.51 115.83 1k0h n ALA 11 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1k0h n ALA 11 Cb 0.63 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.81 0.00 -3.32 0.00 0.13 -1.26 -4.99 119.36 106.12 1k0h n ILE 12 Ca -0.18 0.00 -0.47 0.00 -1.10 0.00 0.00 62.75 61.01 1k0h n ILE 12 Cb 0.64 -0.61 -0.02 0.00 -0.84 0.00 0.00 39.64 38.81 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 -1.80 4.01 -0.35 1.51 0.00 -1.26 -4.74 121.76 119.13 1k0h s ALA 13 Ca 0.00 -3.21 0.08 0.00 0.00 0.00 0.00 51.96 48.84 1k0h s ALA 13 Cb 0.00 -3.50 0.33 0.00 0.00 0.00 0.00 23.12 19.95 1k0h s ALA 13 CO 0.00 -2.26 1.32 -2.13 0.00 0.00 0.00 175.76 172.69 1k0h n ARG 14 N 4.20 1.04 -2.78 0.00 0.00 -1.26 -4.81 116.66 113.05 1k0h n ARG 14 Ca 0.10 -1.42 -0.10 0.00 -0.00 0.00 0.00 57.85 56.43 1k0h n ARG 14 Cb 0.46 0.08 0.08 0.00 0.00 0.00 0.00 32.46 33.08 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 -0.79 0.21 -3.56 5.13 0.00 -1.26 -5.06 120.51 115.19 1k0h n ALA 15 Ca -0.10 -1.74 -0.29 0.00 0.00 0.00 0.00 53.44 51.31 1k0h n ALA 15 Cb 0.81 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.06 1k0h n ALA 15 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k0h s ASP 16 N -1.48 2.93 -0.09 0.00 2.15 -1.26 -5.10 116.67 113.82 1k0h s ASP 16 Ca 0.24 -2.67 0.04 0.00 0.43 0.00 0.00 52.55 50.59 1k0h s ASP 16 Cb 0.33 -0.70 0.00 0.00 -0.30 0.00 0.00 42.92 42.26 1k0h s ASP 16 CO -0.06 -0.24 -0.21 -0.70 -0.17 0.00 0.00 175.17 173.78 1k0h s GLU 17 N 0.41 2.73 0.45 4.34 2.12 -1.26 -5.00 118.70 122.48 1k0h s GLU 17 Ca 0.22 -0.78 0.37 0.00 0.36 0.00 0.00 54.97 55.15 1k0h s GLU 17 Cb -0.15 -2.09 1.47 0.00 0.26 0.00 0.00 34.13 33.62 1k0h s GLU 17 CO -0.06 0.15 1.44 0.25 -0.54 0.00 0.00 175.26 176.51 1k0h n THR 18 N 3.56 -0.13 -1.69 -1.70 -2.24 -1.26 -4.47 114.28 106.35 1k0h n THR 18 Ca -0.20 1.54 -0.44 0.00 -2.27 0.00 0.00 64.05 62.69 1k0h n THR 18 Cb 0.53 -2.55 -0.02 0.00 -2.10 0.00 0.00 70.33 66.19 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 -4.22 1.38 -2.49 2.28 5.41 -1.26 -3.77 119.36 116.69 1k0h n ILE 19 Ca 0.39 -0.34 -0.03 0.00 1.00 0.00 0.00 62.75 63.76 1k0h n ILE 19 Cb 1.63 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 1.45 -1.37 0.00 0.38 1.74 -1.26 -5.06 116.66 112.54 1k0h n ARG 20 Ca 0.09 1.46 0.00 0.00 -0.77 0.00 0.00 57.85 58.62 1k0h n ARG 20 Cb 0.34 -4.41 0.00 0.00 -1.02 0.00 0.00 32.46 27.36 1k0h n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k0h n GLY 21 N -0.81 1.10 2.72 -0.13 0.00 -1.25 -5.05 105.19 101.77 1k0h n GLY 21 Ca 0.05 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 0.63 -0.37 0.00 1.61 5.04 -1.26 -5.02 117.35 117.98 1k0h s TYR 22 Ca 0.00 -1.03 0.00 0.00 -2.44 0.00 0.00 57.07 53.60 1k0h s TYR 22 Cb 0.00 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 41.99 1k0h s TYR 22 CO 0.00 -1.02 0.00 -1.33 -1.34 0.00 0.00 175.55 171.86 1k0h n MET 23 N 3.68 0.00 -1.47 4.97 2.81 -1.26 -4.67 117.12 121.19 1k0h n MET 23 Ca 0.17 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.90 1k0h n MET 23 Cb 0.49 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.93 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 1.61 3.72 3.03 0.00 -1.26 -4.96 105.19 107.34 1k0h n GLY 24 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.56 5.20 -0.18 2.61 -1.32 -1.26 -5.06 115.64 113.07 1k0h s THR 25 Ca 0.00 0.90 -0.01 0.00 -1.21 0.00 0.00 61.69 61.37 1k0h s THR 25 Cb 0.00 -3.79 -0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1k0h s THR 25 CO 0.00 0.34 -0.12 -0.44 -2.21 0.00 0.00 174.62 172.19 1k0h s SER 26 N 0.59 3.85 0.06 8.08 0.01 -1.26 -3.11 113.70 121.92 1k0h s SER 26 Ca 0.25 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 57.13 1k0h s SER 26 Cb -0.15 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.43 1k0h s SER 26 CO 0.09 0.05 -0.22 0.00 0.41 0.00 0.00 173.24 173.57 1k0h s ALA 27 N 1.06 1.85 -0.06 1.44 0.00 0.22 -3.71 121.76 122.55 1k0h s ALA 27 Ca -0.00 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.88 1k0h s ALA 27 Cb -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1k0h s ALA 27 CO -0.03 0.41 -0.23 0.99 0.00 0.00 0.00 175.76 176.90 1k0h s THR 28 N -0.88 1.94 -0.22 0.00 2.01 0.49 0.19 115.64 119.16 1k0h s THR 28 Ca 0.08 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 1k0h s THR 28 Cb -0.09 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1k0h s THR 28 CO 0.02 0.54 0.11 -0.63 -0.69 0.00 0.00 174.62 173.97 1k0h s ILE 29 N -0.03 4.95 -0.32 1.82 -1.09 0.13 0.48 121.20 127.14 1k0h s ILE 29 Ca -0.06 0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 1k0h s ILE 29 Cb -0.14 -3.29 0.10 0.00 -1.58 0.00 0.00 42.46 37.55 1k0h s ILE 29 CO 0.04 0.38 0.11 0.28 -1.23 0.00 0.00 174.94 174.52 1k0h s THR 30 N 0.98 0.79 0.24 2.92 -1.32 0.04 -2.49 115.64 116.80 1k0h s THR 30 Ca 0.06 -1.41 0.02 0.00 -1.21 0.00 0.00 61.69 59.15 1k0h s THR 30 Cb -0.14 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1k0h s THR 30 CO 0.03 -0.70 0.39 -0.44 -2.21 0.00 0.00 174.62 171.70 1k0h s SER 31 N 1.58 6.33 0.58 8.08 0.01 -1.20 -2.89 113.70 126.19 1k0h s SER 31 Ca 0.10 0.25 0.32 0.00 1.31 0.00 0.00 55.95 57.93 1k0h s SER 31 Cb -0.18 -1.94 1.75 0.00 0.21 0.00 0.00 66.02 65.86 1k0h s SER 31 CO -0.24 -0.09 1.97 1.23 0.41 0.00 0.00 173.24 176.52 1k0h h GLY 32 N 1.46 0.00 0.00 3.44 0.00 -1.97 -2.91 103.07 103.09 1k0h h GLY 32 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1k0h h GLY 32 CO 0.64 0.00 -0.70 1.18 0.00 0.00 0.00 176.54 177.67 1k0h n GLU 33 N -2.77 0.00 -2.99 4.80 1.02 -1.26 -4.88 120.64 114.56 1k0h n GLU 33 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 1k0h n GLU 33 Cb 0.21 -0.81 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.24 3.80 -3.73 3.49 7.27 -1.21 -5.01 117.38 119.75 1k0h n GLN 34 Ca 0.00 -4.73 -0.37 0.00 0.07 0.00 0.00 57.00 51.97 1k0h n GLN 34 Cb 0.35 -2.34 -0.12 0.00 2.41 0.00 0.00 30.24 30.54 1k0h n GLN 34 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1k0h s SER 35 N -2.49 5.33 0.00 1.69 0.15 -1.10 -3.25 113.70 114.03 1k0h s SER 35 Ca 0.42 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1k0h s SER 35 Cb 0.19 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1k0h s SER 35 CO -0.07 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1k0h n GLY 36 N 4.91 0.00 2.94 9.45 0.00 -1.04 -4.84 105.19 116.62 1k0h n GLY 36 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.34 -0.19 4.61 0.00 -1.16 -5.05 121.76 119.63 1k0h s ALA 37 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1k0h s ALA 37 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1k0h s ALA 37 CO 0.00 -0.30 0.16 0.14 0.00 0.00 0.00 175.76 175.76 1k0h s VAL 38 N 1.54 5.39 0.17 0.00 -7.23 -1.26 0.21 120.40 119.23 1k0h s VAL 38 Ca -0.06 0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.45 1k0h s VAL 38 Cb -0.11 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1k0h s VAL 38 CO -0.07 0.44 -0.17 0.27 -0.31 0.00 0.00 175.10 175.26 1k0h s ILE 39 N 0.31 1.77 -0.03 -0.62 -5.25 0.50 -4.95 121.20 112.92 1k0h s ILE 39 Ca 0.10 -1.95 -0.03 0.00 -0.99 0.00 0.00 60.65 57.78 1k0h s ILE 39 Cb -0.11 -1.85 -0.04 0.00 2.95 0.00 0.00 42.46 43.41 1k0h s ILE 39 CO -0.01 -0.37 0.15 -0.60 -1.79 0.00 0.00 174.94 172.33 1k0h s ARG 40 N -2.91 3.37 0.00 0.37 3.52 -1.26 0.69 118.95 122.73 1k0h s ARG 40 Ca 0.16 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1k0h s ARG 40 Cb -0.05 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1k0h s ARG 40 CO 0.06 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 1k0h n GLY 41 N 1.23 3.65 3.44 8.12 0.00 -1.18 -3.10 105.19 117.35 1k0h n GLY 41 Ca -0.13 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.13 1.61 1.01 -1.20 -4.58 120.40 116.28 1k0h s VAL 42 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 61.98 59.78 1k0h s VAL 42 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1k0h s VAL 42 CO 0.00 -0.01 0.57 0.12 0.00 0.00 0.00 175.10 175.78 1k0h s PHE 43 N -3.31 3.48 0.02 5.22 2.19 -1.26 -1.87 117.98 122.45 1k0h s PHE 43 Ca 0.36 0.97 0.05 0.00 0.33 0.00 0.00 56.93 58.65 1k0h s PHE 43 Cb 0.09 -2.69 -0.03 0.00 -1.31 0.00 0.00 43.02 39.08 1k0h s PHE 43 CO 0.15 0.03 -0.13 0.34 1.83 0.00 0.00 175.22 177.45 1k0h s ASP 44 N 0.87 4.14 -0.27 6.13 -1.08 0.89 -4.96 116.67 122.39 1k0h s ASP 44 Ca 0.29 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 52.04 1k0h s ASP 44 Cb -0.16 -0.81 0.07 0.00 -1.46 0.00 0.00 42.92 40.56 1k0h s ASP 44 CO 0.12 0.27 -0.07 -0.62 0.52 0.00 0.00 175.17 175.39 1k0h s ASP 45 N -1.40 4.34 0.25 -0.34 -1.08 -1.26 -1.88 116.67 115.29 1k0h s ASP 45 Ca 0.16 -1.46 0.11 0.00 -0.52 0.00 0.00 52.55 50.83 1k0h s ASP 45 Cb -0.11 -1.45 0.26 0.00 -1.46 0.00 0.00 42.92 40.17 1k0h s ASP 45 CO 0.06 -0.24 1.55 -0.65 0.52 0.00 0.00 175.17 176.41 1k0h h PRO 46 N 7.80 0.00 -0.89 4.34 0.11 -1.95 -3.13 132.00 138.28 1k0h h PRO 46 Ca -0.16 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.75 1k0h h PRO 46 Cb 1.04 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 1k0h h PRO 46 CO 0.46 0.66 0.25 0.39 -0.21 0.00 0.00 178.00 179.54 1k0h n GLU 47 N -3.64 2.50 0.07 1.05 -0.58 -1.26 -4.31 120.64 114.47 1k0h n GLU 47 Ca -0.01 -1.95 -0.02 0.00 -0.42 0.00 0.00 57.16 54.76 1k0h n GLU 47 Cb 0.68 -1.85 0.22 0.00 -0.57 0.00 0.00 31.44 29.92 1k0h n GLU 47 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1k0h h ASN 48 N 1.42 0.33 -2.42 1.62 -1.07 -1.87 -3.30 115.58 110.30 1k0h h ASN 48 Ca 0.24 -0.13 -0.47 0.00 0.07 0.00 0.00 56.30 56.01 1k0h h ASN 48 Cb 1.88 -0.09 -0.36 0.00 -2.07 0.00 0.00 38.32 37.68 1k0h h ASN 48 CO 0.54 0.67 -0.75 -0.51 0.07 0.00 0.00 177.43 177.45 1k0h s ILE 49 N -4.26 -0.14 -0.39 6.14 2.07 -1.26 0.33 121.20 123.70 1k0h s ILE 49 Ca -0.05 -1.03 0.05 0.00 -1.41 0.00 0.00 60.65 58.21 1k0h s ILE 49 Cb 0.13 -0.96 0.63 0.00 0.13 0.00 0.00 42.46 42.40 1k0h s ILE 49 CO 0.78 -0.72 1.79 -0.24 -1.91 0.00 0.00 174.94 174.63 1k0h n SER 50 N 4.70 4.01 0.00 4.50 2.88 -0.98 -4.97 113.62 123.76 1k0h n SER 50 Ca 0.04 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1k0h n SER 50 Cb 0.42 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 1k0h n SER 50 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1k0h n TYR 51 N -0.66 0.00 -0.03 0.66 4.01 -1.26 -3.69 117.16 116.18 1k0h n TYR 51 Ca 0.48 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 58.10 1k0h n TYR 51 Cb 1.47 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.43 1k0h n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k0h h ALA 52 N -0.40 0.13 -3.60 -0.72 0.00 -2.03 -3.40 119.26 109.24 1k0h h ALA 52 Ca 0.00 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 54.05 1k0h h ALA 52 Cb 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 17.40 1k0h h ALA 52 CO 0.00 -0.17 -0.71 0.20 0.00 0.00 0.00 179.25 178.56 1k0h s GLY 53 N -2.97 1.79 0.12 0.00 0.00 -1.24 -5.10 107.32 99.92 1k0h s GLY 53 Ca -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 44.72 42.52 1k0h s GLY 53 CO 0.70 0.76 0.37 1.62 0.00 0.00 0.00 173.10 176.55 1k0h s GLN 54 N 1.13 3.63 -1.23 2.90 0.74 -1.26 -2.32 119.66 123.24 1k0h s GLN 54 Ca -0.02 -0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.21 1k0h s GLN 54 Cb -0.20 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.02 1k0h s GLN 54 CO -0.04 0.49 0.69 0.41 -0.55 0.00 0.00 175.29 176.30 1k0h n GLY 55 N 0.26 -0.70 3.24 2.59 0.00 0.15 -4.97 105.19 105.76 1k0h n GLY 55 Ca -0.04 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1k0h n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0h s VAL 56 N -3.61 -0.55 -0.91 1.61 -7.23 -1.24 -5.08 120.40 103.39 1k0h s VAL 56 Ca 0.28 0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 60.49 1k0h s VAL 56 Cb -0.10 -0.63 0.22 0.00 0.56 0.00 0.00 36.38 36.43 1k0h s VAL 56 CO 0.85 0.07 0.88 -0.13 -0.31 0.00 0.00 175.10 176.47 1k0h s ARG 57 N 2.45 3.75 -0.48 4.82 0.52 -1.26 -4.84 118.95 123.91 1k0h s ARG 57 Ca -0.02 -2.58 -0.01 0.00 -0.52 0.00 0.00 55.73 52.60 1k0h s ARG 57 Cb -0.12 -4.51 0.37 0.00 0.52 0.00 0.00 34.95 31.21 1k0h s ARG 57 CO -0.12 -1.33 1.97 1.55 0.02 0.00 0.00 175.30 177.40 1k0h n VAL 58 N 3.82 3.14 -3.08 3.52 3.14 -1.26 -4.79 118.33 122.82 1k0h n VAL 58 Ca 0.17 -2.18 -0.13 0.00 -2.96 0.00 0.00 64.34 59.24 1k0h n VAL 58 Cb 0.45 -1.14 0.05 0.00 -1.06 0.00 0.00 33.84 32.14 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 -0.39 -4.38 0.00 1.45 1.02 -1.26 -5.01 120.64 112.08 1k0h n GLU 59 Ca 0.47 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 1k0h n GLU 59 Cb 0.75 -4.39 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 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 -1.32 1.34 0.03 0.62 0.00 -1.26 -4.91 105.19 99.69 1k0h n GLY 60 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.44 3.52 -0.34 1.61 7.64 -1.26 -5.11 113.62 119.24 1k0h n SER 61 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1k0h n SER 61 Cb 0.00 0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1k0h n SER 61 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1k0h n SER 62 N -2.22 -1.95 -4.92 6.43 7.64 -1.26 -4.96 113.62 112.38 1k0h n SER 62 Ca -0.10 0.27 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 1k0h n SER 62 Cb 0.70 -1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.63 3.50 0.27 1.43 0.04 -1.26 -4.16 135.00 132.19 1k0h s PRO 63 Ca 0.00 -0.33 0.05 0.00 0.04 0.00 0.00 61.00 60.76 1k0h s PRO 63 Cb 0.00 -2.96 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1k0h s PRO 63 CO 0.00 0.54 -0.02 -1.54 0.04 0.00 0.00 177.00 176.03 1k0h s SER 64 N -2.59 2.33 -0.06 6.66 1.04 -0.79 -2.96 113.70 117.33 1k0h s SER 64 Ca 0.37 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1k0h s SER 64 Cb -0.12 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1k0h s SER 64 CO 0.27 -0.46 -0.11 -0.22 0.98 0.00 0.00 173.24 173.71 1k0h s LEU 65 N -3.40 2.93 -0.36 2.42 2.96 0.31 -0.07 118.68 123.47 1k0h s LEU 65 Ca 0.30 -0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 1k0h s LEU 65 Cb 0.05 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.13 1k0h s LEU 65 CO 0.11 0.34 0.24 -0.36 -1.32 0.00 0.00 176.35 175.36 1k0h s PHE 66 N -0.71 3.23 0.21 5.38 0.08 -0.78 -4.44 117.98 120.94 1k0h s PHE 66 Ca 0.11 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.69 1k0h s PHE 66 Cb -0.11 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 1k0h s PHE 66 CO 0.01 -0.50 0.25 0.54 -0.10 0.00 0.00 175.22 175.42 1k0h s VAL 67 N 1.66 4.88 0.34 -0.44 0.11 -1.26 -3.28 120.40 122.41 1k0h s VAL 67 Ca 0.05 -1.07 0.09 0.00 -2.93 0.00 0.00 61.98 58.12 1k0h s VAL 67 Cb -0.18 -3.59 0.08 0.00 -1.53 0.00 0.00 36.38 31.16 1k0h s VAL 67 CO 0.09 -0.24 1.79 -0.09 -3.33 0.00 0.00 175.10 173.31 1k0h h ARG 68 N 1.71 0.16 0.00 1.54 9.65 -1.96 -3.46 114.38 122.02 1k0h h ARG 68 Ca -0.49 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1k0h h ARG 68 Cb 1.22 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1k0h h ARG 68 CO 0.63 0.49 0.00 0.25 2.80 0.00 0.00 179.97 184.13 1k0h n THR 69 N -4.10 0.00 -1.99 0.20 -2.24 -1.26 -5.07 114.28 99.82 1k0h n THR 69 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1k0h n THR 69 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1k0h n THR 69 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k0h n ASP 70 N 0.00 0.00 -0.03 3.42 5.68 -1.26 -4.94 116.55 119.41 1k0h n ASP 70 Ca 0.00 -1.21 -0.11 0.00 -0.50 0.00 0.00 54.79 52.97 1k0h n ASP 70 Cb 0.00 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1k0h h GLU 71 N 0.00 0.22 -0.84 0.11 4.81 -1.97 -1.90 114.58 115.01 1k0h h GLU 71 Ca 0.00 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.36 1k0h h GLU 71 Cb 1.09 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1k0h h GLU 71 CO 0.00 0.20 0.55 -0.39 -0.73 0.00 0.00 179.01 178.64 1k0h h VAL 72 N 0.17 0.79 -0.73 0.32 -1.51 -1.95 0.46 116.25 113.80 1k0h h VAL 72 Ca 0.06 -0.18 0.18 0.00 -1.23 0.00 0.00 66.70 65.53 1k0h h VAL 72 Cb 0.04 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 29.38 1k0h h VAL 72 CO -0.01 0.10 0.51 -0.09 -1.23 0.00 0.00 177.57 176.84 1k0h h ARG 73 N 0.52 0.17 0.00 5.19 1.12 -1.62 0.69 114.38 120.46 1k0h h ARG 73 Ca 0.42 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.26 1k0h h ARG 73 Cb 0.86 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.77 1k0h h ARG 73 CO -0.17 0.12 -0.38 1.96 -3.11 0.00 0.00 179.97 178.39 1k0h h GLN 74 N 0.18 0.00 -4.06 0.20 4.20 -0.07 -3.39 115.11 112.17 1k0h h GLN 74 Ca 0.36 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.66 1k0h h GLN 74 Cb 1.14 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.96 1k0h h GLN 74 CO -0.06 0.08 2.02 -0.11 -0.67 0.00 0.00 178.83 180.09 1k0h n LEU 75 N -3.00 3.14 -4.49 1.46 0.00 0.24 -4.90 117.00 109.45 1k0h n LEU 75 Ca 0.02 -2.31 -0.32 0.00 0.00 0.00 0.00 56.01 53.40 1k0h n LEU 75 Cb 0.58 -0.90 0.14 0.00 0.00 0.00 0.00 43.42 43.24 1k0h n LEU 75 CO 0.37 -0.40 0.16 0.54 0.00 0.00 0.00 177.39 178.06 1k0h n ARG 76 N 5.68 -0.48 -1.60 1.96 5.12 -1.26 -4.87 116.66 121.20 1k0h n ARG 76 Ca 0.37 -0.09 -0.40 0.00 -1.93 0.00 0.00 57.85 55.79 1k0h n ARG 76 Cb 0.22 -2.03 0.02 0.00 -1.16 0.00 0.00 32.46 29.51 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 -2.66 1.19 -0.39 5.56 0.63 -1.26 -3.90 116.66 115.83 1k0h n ARG 77 Ca 0.08 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1k0h n ARG 77 Cb 0.53 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.41 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 1.26 1.49 3.00 5.14 0.00 -1.26 -5.11 105.19 109.71 1k0h n GLY 78 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.18 0.23 0.04 1.61 1.01 -1.25 -4.60 116.67 111.53 1k0h s ASP 79 Ca 0.00 -0.49 0.07 0.00 0.71 0.00 0.00 52.55 52.84 1k0h s ASP 79 Cb 0.00 0.12 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 1k0h s ASP 79 CO 0.00 -0.32 -0.18 -0.89 0.21 0.00 0.00 175.17 173.98 1k0h s THR 80 N -1.58 2.77 0.11 -1.27 2.01 -1.14 -3.08 115.64 113.46 1k0h s THR 80 Ca -0.15 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 60.68 1k0h s THR 80 Cb -0.09 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1k0h s THR 80 CO -0.01 0.33 -0.08 -1.48 -0.69 0.00 0.00 174.62 172.69 1k0h s LEU 81 N -1.46 2.51 -0.09 4.42 2.34 0.38 -0.78 118.68 126.00 1k0h s LEU 81 Ca 0.15 -0.99 0.03 0.00 0.06 0.00 0.00 54.13 53.38 1k0h s LEU 81 Cb -0.10 -0.18 0.00 0.00 -0.56 0.00 0.00 46.19 45.35 1k0h s LEU 81 CO 0.05 -0.40 -0.20 0.42 -1.06 0.00 0.00 176.35 175.16 1k0h s THR 82 N -3.43 1.75 0.00 5.48 -4.23 0.18 0.20 115.64 115.58 1k0h s THR 82 Ca 0.13 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 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 -0.03 0.49 0.00 0.00 -0.54 0.00 0.00 174.62 174.54 1k0h n ILE 83 N 3.64 0.00 0.00 2.99 3.06 -1.26 0.18 119.36 127.97 1k0h n ILE 83 Ca -0.20 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1k0h n ILE 83 Cb 0.53 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.71 1k0h n ILE 83 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1k0h n GLY 84 N 3.48 -2.56 0.35 4.50 0.00 -1.24 -1.56 105.19 108.15 1k0h n GLY 84 Ca 0.00 0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -0.13 1.61 4.39 -1.96 -3.45 114.58 115.04 1k0h h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k0h h GLU 85 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1k0h h GLU 85 CO 0.00 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 177.00 1k0h n GLU 86 N -3.52 0.00 -3.56 2.33 0.28 -0.60 -5.08 120.64 110.49 1k0h n GLU 86 Ca 0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.79 1k0h n GLU 86 Cb 0.39 -1.62 -0.15 0.00 1.43 0.00 0.00 31.44 31.49 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 -2.50 1.96 -0.01 -1.84 -0.87 -1.26 -4.07 114.94 106.34 1k0h s ASN 87 Ca 0.00 -0.46 0.01 0.00 -1.57 0.00 0.00 52.86 50.84 1k0h s ASN 87 Cb 0.00 0.02 0.01 0.00 -0.02 0.00 0.00 41.25 41.26 1k0h s ASN 87 CO 0.00 -0.34 -0.02 -0.36 -2.57 0.00 0.00 177.10 173.81 1k0h s PHE 88 N 2.22 0.25 0.02 2.20 0.40 0.52 -4.28 117.98 119.30 1k0h s PHE 88 Ca 0.04 -0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 1k0h s PHE 88 Cb -0.16 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.12 1k0h s PHE 88 CO -0.11 -0.04 -0.13 -1.58 0.70 0.00 0.00 175.22 174.06 1k0h s TRP 89 N 0.31 1.16 -0.53 0.36 0.52 -0.25 0.14 118.94 120.65 1k0h s TRP 89 Ca -0.03 -0.29 -0.25 0.00 0.02 0.00 0.00 56.10 55.55 1k0h s TRP 89 Cb -0.05 -0.71 0.04 0.00 -1.15 0.00 0.00 33.47 31.59 1k0h s TRP 89 CO -0.01 0.01 0.96 0.08 0.02 0.00 0.00 176.95 178.01 1k0h s VAL 90 N -0.62 4.37 -1.96 4.03 1.01 -1.18 -1.44 120.40 124.62 1k0h s VAL 90 Ca 0.03 0.49 0.27 0.00 0.00 0.00 0.00 61.98 62.76 1k0h s VAL 90 Cb -0.07 -4.53 0.34 0.00 0.00 0.00 0.00 36.38 32.13 1k0h s VAL 90 CO 0.00 -1.05 1.61 -0.67 0.00 0.00 0.00 175.10 174.99 1k0h n ASP 91 N 7.47 1.17 -3.01 3.32 -0.08 0.47 -4.57 116.55 121.33 1k0h n ASP 91 Ca 0.04 -1.06 -0.27 0.00 -1.51 0.00 0.00 54.79 51.98 1k0h n ASP 91 Cb 0.48 0.10 0.02 0.00 2.34 0.00 0.00 41.12 44.06 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 -0.41 0.00 -1.35 -0.67 1.74 -1.02 -4.76 116.66 110.19 1k0h n ARG 92 Ca 0.14 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1k0h n ARG 92 Cb 0.35 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 1k0h n ARG 92 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1k0h n VAL 93 N -1.56 0.00 -3.69 1.55 0.31 -1.26 -4.88 118.33 108.80 1k0h n VAL 93 Ca 0.01 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 63.94 1k0h n VAL 93 Cb 0.39 -0.68 -0.09 0.00 -0.91 0.00 0.00 33.84 32.55 1k0h n VAL 93 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1k0h s SER 94 N -1.05 5.35 1.13 4.52 1.04 -1.26 -4.91 113.70 118.52 1k0h s SER 94 Ca 0.01 -2.79 -0.17 0.00 0.48 0.00 0.00 55.95 53.48 1k0h s SER 94 Cb -0.00 -1.88 0.19 0.00 0.10 0.00 0.00 66.02 64.43 1k0h s SER 94 CO 0.00 -0.40 0.33 -2.65 0.98 0.00 0.00 173.24 171.51 1k0h n PRO 95 N 3.59 -2.49 -3.75 4.02 -0.02 -1.26 -4.98 135.00 130.11 1k0h n PRO 95 Ca 0.07 -0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 60.55 1k0h n PRO 95 Cb 0.39 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.11 1k0h n PRO 95 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1k0h n ASP 96 N -2.26 2.42 -2.44 2.55 2.03 -1.26 -4.94 116.55 112.65 1k0h n ASP 96 Ca 0.05 -3.08 -0.01 0.00 0.52 0.00 0.00 54.79 52.27 1k0h n ASP 96 Cb 0.49 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 1.99 -6.56 0.00 1.67 -0.08 -1.26 -4.97 116.55 107.34 1k0h n ASP 97 Ca 0.23 0.96 0.00 0.00 -1.51 0.00 0.00 54.79 54.46 1k0h n ASP 97 Cb 0.38 -4.30 0.00 0.00 2.34 0.00 0.00 41.12 39.54 1k0h n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k0h n GLY 98 N 0.36 0.17 0.18 0.27 0.00 -1.26 -5.12 105.19 99.78 1k0h n GLY 98 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 1.14 0.12 1.64 -0.02 0.00 -1.26 -4.94 105.19 101.87 1k0h n GLY 99 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 -0.66 -2.30 1.61 3.41 -1.26 -4.55 113.62 109.87 1k0h n SER 100 Ca 0.00 -1.41 -0.29 0.00 -0.26 0.00 0.00 58.87 56.91 1k0h n SER 100 Cb 0.00 0.28 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.69 0.61 -1.55 0.00 8.25 -1.26 -5.08 115.22 115.51 1k0h n HIS 102 Ca 0.49 -3.77 -0.47 0.00 -0.26 0.00 0.00 57.72 53.71 1k0h n HIS 102 Cb 0.74 -0.41 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 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 0.70 2.87 -4.70 2.41 0.00 -1.26 -4.81 117.00 112.20 1k0h n LEU 103 Ca 0.24 0.39 -0.36 0.00 0.00 0.00 0.00 56.01 56.28 1k0h n LEU 103 Cb 0.57 -1.42 -0.08 0.00 0.00 0.00 0.00 43.42 42.49 1k0h n LEU 103 CO 0.23 -0.61 -0.07 0.86 0.00 0.00 0.00 177.39 177.80 1k0h s TRP 104 N 7.34 3.40 0.26 1.96 -0.00 -1.26 0.11 118.94 130.74 1k0h s TRP 104 Ca 1.03 0.45 0.05 0.00 -0.00 0.00 0.00 56.10 57.64 1k0h s TRP 104 Cb -0.58 -2.32 -0.03 0.00 -0.00 0.00 0.00 33.47 30.54 1k0h s TRP 104 CO 0.43 0.16 0.35 -0.51 -0.00 0.00 0.00 176.95 177.38 1k0h s LEU 105 N 0.75 4.21 -0.24 5.86 1.02 -1.16 0.18 118.68 129.30 1k0h s LEU 105 Ca 0.13 -0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 1k0h s LEU 105 Cb -0.13 -2.78 0.12 0.00 0.02 0.00 0.00 46.19 43.43 1k0h s LEU 105 CO 0.03 -0.12 0.32 -0.83 0.02 0.00 0.00 176.35 175.78 1k0h s GLY 106 N -3.99 -0.27 -0.16 -3.19 0.00 -0.52 -4.71 107.32 94.49 1k0h s GLY 106 Ca 0.35 0.48 -0.12 0.00 0.00 0.00 0.00 44.72 45.43 1k0h s GLY 106 CO 0.29 2.55 0.25 0.50 0.00 0.00 0.00 173.10 176.68 1k0h s ARG 107 N 2.46 4.15 0.49 2.90 0.52 -1.26 -1.09 118.95 127.12 1k0h s ARG 107 Ca 0.10 0.02 0.33 0.00 -0.52 0.00 0.00 55.73 55.66 1k0h s ARG 107 Cb -0.15 -3.39 1.76 0.00 0.52 0.00 0.00 34.95 33.68 1k0h s ARG 107 CO -0.19 0.32 2.01 0.78 0.02 0.00 0.00 175.30 178.25 1k0h h GLY 108 N 6.42 0.00 -3.57 -3.53 0.00 -1.94 -3.42 103.07 97.03 1k0h h GLY 108 Ca -0.43 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.40 1k0h h GLY 108 CO 0.73 0.00 0.45 0.54 0.00 0.00 0.00 176.54 178.27 1k0h s VAL 109 N -3.82 3.58 0.25 4.60 0.11 -1.26 -5.04 120.40 118.81 1k0h s VAL 109 Ca -0.03 1.50 -0.04 0.00 -2.93 0.00 0.00 61.98 60.48 1k0h s VAL 109 Cb 0.10 -3.92 0.06 0.00 -1.53 0.00 0.00 36.38 31.08 1k0h s VAL 109 CO 0.33 0.29 0.13 -2.65 -3.33 0.00 0.00 175.10 169.87 1k0h n PRO 110 N 0.93 -1.38 -0.13 1.54 -0.02 -1.26 -4.90 135.00 129.77 1k0h n PRO 110 Ca 0.00 -0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.14 1k0h n PRO 110 Cb 0.46 -0.34 -0.02 0.00 -0.02 0.00 0.00 33.50 33.58 1k0h n PRO 110 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k0h h PRO 111 N 0.00 0.80 -5.19 0.52 0.11 -1.96 -3.38 132.00 122.90 1k0h h PRO 111 Ca -0.06 -0.35 -0.30 0.00 0.11 0.00 0.00 66.00 65.40 1k0h h PRO 111 Cb 0.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1k0h h PRO 111 CO 0.04 0.98 0.96 0.00 -0.21 0.00 0.00 178.00 179.76 1k0h n ALA 112 N -2.48 1.47 -1.57 -0.75 0.00 -1.26 -4.74 120.51 111.18 1k0h n ALA 112 Ca -0.02 -2.81 -0.30 0.00 0.00 0.00 0.00 53.44 50.31 1k0h n ALA 112 Cb 0.42 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.37 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 7.88 3.38 -3.62 0.00 0.31 -1.26 -4.85 118.33 120.17 1k0h n VAL 113 Ca 0.45 -3.29 -0.20 0.00 -0.01 0.00 0.00 64.34 61.29 1k0h n VAL 113 Cb 0.46 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1k0h n VAL 113 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1k0h n ASN 114 N 0.36 -5.55 -4.52 4.52 4.13 -1.26 -4.97 115.26 107.97 1k0h n ASN 114 Ca 0.50 -0.77 -0.33 0.00 1.68 0.00 0.00 54.58 55.66 1k0h n ASN 114 Cb 0.46 -2.61 -0.12 0.00 -1.54 0.00 0.00 39.78 35.97 1k0h n ASN 114 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1k0h s ARG 115 N -4.61 2.51 0.00 3.52 0.52 -1.26 -4.99 118.95 114.65 1k0h s ARG 115 Ca 0.04 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1k0h s ARG 115 Cb -0.02 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1k0h s ARG 115 CO 0.86 0.62 0.00 0.54 0.02 0.00 0.00 175.30 177.34 1k0h n ARG 116 N 2.08 0.00 -0.48 3.54 5.12 -1.26 -5.17 116.66 120.48 1k0h n ARG 116 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1k0h n ARG 116 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 1k0h n ARG 116 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24