#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 1.31 -0.08 -5.12 0.00 -1.26 -5.11 121.76 111.50 1k0h s ALA 2 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 1k0h s ALA 2 Cb 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 22.04 1k0h s ALA 2 CO 0.00 -0.98 0.76 0.16 0.00 0.00 0.00 175.76 175.70 1k0h s ASP 3 N 1.71 -0.58 -0.88 0.00 -4.77 -1.26 -5.01 116.67 105.88 1k0h s ASP 3 Ca -0.01 0.63 -0.04 0.00 -3.30 0.00 0.00 52.55 49.83 1k0h s ASP 3 Cb -0.16 0.48 -0.02 0.00 -1.09 0.00 0.00 42.92 42.13 1k0h s ASP 3 CO -0.07 -0.54 0.76 0.49 0.70 0.00 0.00 175.17 176.50 1k0h n PHE 4 N 0.85 -2.63 -3.11 2.11 3.72 -1.26 -4.97 117.46 112.17 1k0h n PHE 4 Ca -0.17 0.95 -0.22 0.00 -0.05 0.00 0.00 57.45 57.96 1k0h n PHE 4 Cb 0.57 -3.90 -0.04 0.00 -0.94 0.00 0.00 39.48 35.17 1k0h n PHE 4 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1k0h n ASP 5 N -2.34 2.34 0.00 4.37 5.68 -1.26 -5.02 116.55 120.32 1k0h n ASP 5 Ca -0.06 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 1k0h n ASP 5 Cb 0.56 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1k0h n ASP 5 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1k0h n ASN 6 N 0.19 0.00 0.19 -1.12 3.02 -1.26 -3.76 115.26 112.52 1k0h n ASN 6 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1k0h n ASN 6 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1k0h n ASN 6 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1k0h n LEU 7 N 0.00 -3.36 0.00 3.41 7.94 -1.26 -5.17 117.00 118.56 1k0h n LEU 7 Ca 0.00 0.80 -0.07 0.00 -1.11 0.00 0.00 56.01 55.63 1k0h n LEU 7 Cb 0.00 3.21 -0.01 0.00 0.53 0.00 0.00 43.42 47.15 1k0h n LEU 7 CO 0.00 0.23 0.09 0.33 -1.11 0.00 0.00 177.39 176.93 1k0h n PHE 8 N -3.33 -0.96 -2.81 1.96 7.35 -1.25 -5.11 117.46 113.31 1k0h n PHE 8 Ca 0.00 -1.15 -0.11 0.00 -0.76 0.00 0.00 57.45 55.43 1k0h n PHE 8 Cb 0.00 0.28 0.07 0.00 0.35 0.00 0.00 39.48 40.18 1k0h n PHE 8 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1k0h n ASP 9 N -1.86 -1.80 0.08 -2.13 5.68 -1.26 -4.90 116.55 110.36 1k0h n ASP 9 Ca 0.00 -3.58 0.00 0.00 -0.50 0.00 0.00 54.79 50.71 1k0h n ASP 9 Cb 0.29 1.49 0.00 0.00 -1.14 0.00 0.00 41.12 41.76 1k0h n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1k0h n ALA 10 N 0.36 2.38 -1.05 2.12 0.00 -1.26 -4.89 120.51 118.17 1k0h n ALA 10 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1k0h n ALA 10 Cb 0.69 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.98 4.03 -0.01 0.00 0.00 -1.26 -4.23 120.51 116.05 1k0h n ALA 11 Ca 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 53.44 51.07 1k0h n ALA 11 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.22 0.17 0.11 0.00 3.06 -1.26 -4.68 119.36 116.55 1k0h n ILE 12 Ca 0.33 -0.09 -0.01 0.00 -2.50 0.00 0.00 62.75 60.48 1k0h n ILE 12 Cb 1.20 -0.77 0.01 0.00 0.54 0.00 0.00 39.64 40.61 1k0h n ILE 12 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1k0h h ALA 13 N 0.06 0.60 -3.20 1.51 0.00 -1.90 -3.47 119.26 112.86 1k0h h ALA 13 Ca -0.07 -0.63 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 1k0h h ALA 13 Cb 1.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1k0h h ALA 13 CO -0.00 0.86 -0.28 0.54 0.00 0.00 0.00 179.25 180.37 1k0h n ARG 14 N -3.35 -1.98 0.06 0.00 1.74 -1.26 -4.59 116.66 107.28 1k0h n ARG 14 Ca 0.01 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1k0h n ARG 14 Cb 0.78 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 27.12 1k0h n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k0h n ALA 15 N -1.52 2.38 -2.46 7.54 0.00 -1.26 -5.10 120.51 120.09 1k0h n ALA 15 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1k0h n ALA 15 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.87 -5.33 -3.62 0.00 2.03 -1.26 -5.07 116.55 100.42 1k0h n ASP 16 Ca 0.00 -0.12 -0.06 0.00 0.52 0.00 0.00 54.79 55.13 1k0h n ASP 16 Cb 0.00 -3.53 -0.05 0.00 -0.72 0.00 0.00 41.12 36.81 1k0h n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k0h s GLU 17 N -3.18 0.30 -0.35 -0.67 2.02 -1.26 -5.06 118.70 110.50 1k0h s GLU 17 Ca 0.06 0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.15 1k0h s GLU 17 Cb -0.01 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.37 1k0h s GLU 17 CO 0.45 -0.08 0.40 2.41 0.02 0.00 0.00 175.26 178.46 1k0h n THR 18 N 1.07 -7.37 -0.03 3.63 -1.04 -1.26 -5.03 114.28 104.24 1k0h n THR 18 Ca -0.07 0.29 -0.08 0.00 -2.04 0.00 0.00 64.05 62.15 1k0h n THR 18 Cb 0.58 -5.92 -0.03 0.00 -1.82 0.00 0.00 70.33 63.14 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 -0.80 0.90 -1.41 12.58 2.08 -1.26 -5.04 119.36 126.41 1k0h n ILE 19 Ca 0.05 0.05 -0.36 0.00 0.56 0.00 0.00 62.75 63.05 1k0h n ILE 19 Cb 0.37 -1.74 0.09 0.00 -0.75 0.00 0.00 39.64 37.61 1k0h n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1k0h n ARG 20 N -3.63 0.61 0.00 0.38 3.00 -1.26 -4.82 116.66 110.93 1k0h n ARG 20 Ca -0.14 0.27 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 1k0h n ARG 20 Cb 0.45 -2.33 0.00 0.00 0.00 0.00 0.00 32.46 30.58 1k0h n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0h n GLY 21 N 0.96 -0.02 3.75 -0.13 0.00 -1.26 -5.12 105.19 103.36 1k0h n GLY 21 Ca 0.14 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 3.08 0.25 1.61 6.14 -1.26 -5.02 117.35 122.15 1k0h s TYR 22 Ca 0.00 1.13 0.04 0.00 0.64 0.00 0.00 57.07 58.89 1k0h s TYR 22 Cb 0.00 -3.75 -0.02 0.00 0.42 0.00 0.00 41.96 38.62 1k0h s TYR 22 CO 0.00 -2.35 0.15 -1.33 0.64 0.00 0.00 175.55 172.66 1k0h n MET 23 N 2.17 0.46 0.00 4.97 2.81 -1.26 -5.04 117.12 121.23 1k0h n MET 23 Ca 0.06 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 1k0h n MET 23 Cb 0.41 1.58 0.00 0.00 -0.71 0.00 0.00 33.22 34.50 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 -0.15 0.61 3.82 3.03 0.00 -1.26 -5.14 105.19 106.11 1k0h n GLY 24 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.77 5.05 -0.13 2.61 -1.32 -1.26 -5.06 115.64 114.75 1k0h s THR 25 Ca 0.00 0.85 0.02 0.00 -1.21 0.00 0.00 61.69 61.35 1k0h s THR 25 Cb 0.00 -3.72 0.01 0.00 -1.51 0.00 0.00 72.50 67.28 1k0h s THR 25 CO 0.00 0.55 -0.20 -0.44 -2.21 0.00 0.00 174.62 172.32 1k0h s SER 26 N -0.87 2.91 0.03 8.08 0.01 -1.26 -3.05 113.70 119.57 1k0h s SER 26 Ca 0.24 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 57.02 1k0h s SER 26 Cb -0.16 -1.34 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1k0h s SER 26 CO 0.13 0.05 -0.21 0.00 0.41 0.00 0.00 173.24 173.62 1k0h s ALA 27 N 0.90 1.76 -0.06 1.44 0.00 0.35 -2.36 121.76 123.79 1k0h s ALA 27 Ca -0.06 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.91 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 0.40 -0.23 0.99 0.00 0.00 0.00 175.76 176.89 1k0h s THR 28 N -0.75 1.94 -0.24 0.00 2.01 0.45 0.20 115.64 119.25 1k0h s THR 28 Ca 0.08 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 1k0h s THR 28 Cb -0.09 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1k0h s THR 28 CO 0.01 0.54 0.17 -0.63 -0.69 0.00 0.00 174.62 174.02 1k0h s ILE 29 N -0.02 5.36 -0.32 1.82 -1.09 0.34 0.74 121.20 128.03 1k0h s ILE 29 Ca -0.07 0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.55 1k0h s ILE 29 Cb -0.14 -3.51 0.10 0.00 -1.58 0.00 0.00 42.46 37.33 1k0h s ILE 29 CO 0.04 0.35 0.11 0.28 -1.23 0.00 0.00 174.94 174.49 1k0h s THR 30 N 1.03 0.88 0.15 2.92 -1.32 0.79 -2.14 115.64 117.95 1k0h s THR 30 Ca 0.08 -1.47 0.06 0.00 -1.21 0.00 0.00 61.69 59.15 1k0h s THR 30 Cb -0.13 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 1k0h s THR 30 CO 0.04 -0.70 0.05 -0.94 -2.21 0.00 0.00 174.62 170.86 1k0h s SER 31 N 1.53 5.10 0.57 8.08 1.04 -1.26 -2.86 113.70 125.90 1k0h s SER 31 Ca 0.10 -0.25 0.33 0.00 0.48 0.00 0.00 55.95 56.61 1k0h s SER 31 Cb -0.18 -1.21 1.78 0.00 0.10 0.00 0.00 66.02 66.52 1k0h s SER 31 CO -0.23 0.10 1.99 1.23 0.98 0.00 0.00 173.24 177.31 1k0h h GLY 32 N 2.76 0.00 0.00 7.32 0.00 -1.97 -2.10 103.07 109.08 1k0h h GLY 32 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1k0h h GLY 32 CO 0.60 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.93 1k0h h GLU 33 N 0.00 0.00 -2.22 4.80 5.08 -1.95 -3.45 114.58 116.84 1k0h h GLU 33 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1k0h h GLU 33 Cb 0.28 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.12 1k0h h GLU 33 CO 0.00 0.00 -0.80 0.94 -1.00 0.00 0.00 179.01 178.15 1k0h n GLN 34 N -2.46 1.65 -2.65 2.33 7.27 -1.20 -5.07 117.38 117.25 1k0h n GLN 34 Ca -0.01 -4.03 -0.43 0.00 0.07 0.00 0.00 57.00 52.60 1k0h n GLN 34 Cb 0.02 -1.84 -0.02 0.00 2.41 0.00 0.00 30.24 30.81 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 -1.75 6.80 0.00 1.69 0.15 -0.80 -4.39 113.70 115.41 1k0h s SER 35 Ca 0.36 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1k0h s SER 35 Cb 0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1k0h s SER 35 CO -0.07 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1k0h n GLY 36 N 4.26 0.00 2.77 9.45 0.00 -0.91 -4.84 105.19 115.92 1k0h n GLY 36 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 0.62 -0.31 4.61 0.00 -1.07 -5.02 121.76 120.59 1k0h s ALA 37 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1k0h s ALA 37 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1k0h s ALA 37 CO 0.00 -0.41 0.23 0.14 0.00 0.00 0.00 175.76 175.72 1k0h s VAL 38 N 1.87 5.29 0.27 0.00 -7.23 -1.26 0.13 120.40 119.46 1k0h s VAL 38 Ca 0.03 -0.02 0.10 0.00 -1.81 0.00 0.00 61.98 60.28 1k0h s VAL 38 Cb -0.12 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 1k0h s VAL 38 CO -0.04 0.10 -0.04 0.27 -0.31 0.00 0.00 175.10 175.08 1k0h s ILE 39 N 1.77 3.30 -0.05 -0.62 -5.25 0.54 -4.96 121.20 115.93 1k0h s ILE 39 Ca 0.07 -1.99 -0.02 0.00 -0.99 0.00 0.00 60.65 57.72 1k0h s ILE 39 Cb -0.17 -2.76 -0.04 0.00 2.95 0.00 0.00 42.46 42.45 1k0h s ILE 39 CO 0.11 -0.38 0.09 -0.60 -1.79 0.00 0.00 174.94 172.37 1k0h s ARG 40 N -3.64 3.17 0.00 0.37 3.52 -1.26 0.13 118.95 121.24 1k0h s ARG 40 Ca 0.31 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1k0h s ARG 40 Cb -0.06 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1k0h s ARG 40 CO 0.19 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 175.78 1k0h n GLY 41 N 1.55 4.00 3.77 8.12 0.00 -1.17 -3.69 105.19 117.77 1k0h n GLY 41 Ca -0.16 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.67 1.84 0.07 1.61 1.01 -1.15 -4.53 120.40 117.59 1k0h s VAL 42 Ca 0.00 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.06 1k0h s VAL 42 Cb 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 1k0h s VAL 42 CO 0.00 0.00 0.53 0.12 0.00 0.00 0.00 175.10 175.75 1k0h s PHE 43 N -2.72 3.75 -0.07 5.22 2.19 -1.26 -1.57 117.98 123.52 1k0h s PHE 43 Ca 0.30 1.17 0.02 0.00 0.33 0.00 0.00 56.93 58.75 1k0h s PHE 43 Cb 0.03 -2.42 0.01 0.00 -1.31 0.00 0.00 43.02 39.33 1k0h s PHE 43 CO 0.17 0.57 -0.12 0.34 1.83 0.00 0.00 175.22 178.00 1k0h s ASP 44 N -1.24 1.85 -0.28 6.13 -1.08 0.45 -4.96 116.67 117.52 1k0h s ASP 44 Ca 0.30 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1k0h s ASP 44 Cb -0.18 -0.85 0.05 0.00 -1.46 0.00 0.00 42.92 40.49 1k0h s ASP 44 CO 0.18 0.03 -0.05 1.51 0.52 0.00 0.00 175.17 177.36 1k0h s ASP 45 N 0.71 4.71 0.10 -0.34 1.47 -1.26 -0.20 116.67 121.86 1k0h s ASP 45 Ca -0.14 -1.33 -0.23 0.00 1.18 0.00 0.00 52.55 52.04 1k0h s ASP 45 Cb -0.16 -1.64 -0.13 0.00 -0.34 0.00 0.00 42.92 40.65 1k0h s ASP 45 CO 0.03 -0.23 1.73 -0.65 0.68 0.00 0.00 175.17 176.73 1k0h h PRO 46 N 7.90 -0.04 -0.99 2.11 0.11 -1.93 -2.78 132.00 136.38 1k0h h PRO 46 Ca -0.20 0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.25 1k0h h PRO 46 Cb 1.05 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.01 1k0h h PRO 46 CO 0.50 -0.03 0.51 1.05 -0.21 0.00 0.00 178.00 179.83 1k0h h GLU 47 N -0.04 0.20 0.00 1.05 4.11 -1.82 -3.44 114.58 114.63 1k0h h GLU 47 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1k0h h GLU 47 Cb 0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1k0h h GLU 47 CO -0.03 0.13 0.00 -1.71 0.07 0.00 0.00 179.01 177.47 1k0h n ASN 48 N -5.15 0.00 -4.56 3.06 4.05 -1.05 -4.73 115.26 106.89 1k0h n ASN 48 Ca 0.33 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 55.05 1k0h n ASN 48 Cb 1.05 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 42.01 1k0h n ASN 48 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1k0h s ILE 49 N 0.00 3.54 -0.28 -1.44 -1.09 -1.26 -4.74 121.20 115.93 1k0h s ILE 49 Ca 0.00 -0.39 0.11 0.00 -2.23 0.00 0.00 60.65 58.14 1k0h s ILE 49 Cb 0.00 -4.22 0.59 0.00 -1.58 0.00 0.00 42.46 37.25 1k0h s ILE 49 CO 0.00 -1.15 1.59 -0.24 -1.23 0.00 0.00 174.94 173.91 1k0h n SER 50 N 12.82 3.66 0.00 3.58 2.88 -1.26 -4.71 113.62 130.58 1k0h n SER 50 Ca 0.37 -3.39 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1k0h n SER 50 Cb 0.48 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.69 0.00 -3.53 0.66 4.01 -1.26 -5.04 117.16 111.31 1k0h n TYR 51 Ca 0.34 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.88 1k0h n TYR 51 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.15 1k0h n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1k0h s ALA 52 N -4.43 4.09 -1.16 -0.72 0.00 -1.26 -4.72 121.76 113.56 1k0h s ALA 52 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.01 1k0h s ALA 52 Cb 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1k0h s ALA 52 CO 0.00 -0.21 0.81 0.41 0.00 0.00 0.00 175.76 176.77 1k0h n GLY 53 N -1.56 -0.86 1.09 0.00 0.00 -1.26 -5.01 105.19 97.58 1k0h n GLY 53 Ca 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1k0h n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k0h n GLN 54 N -3.93 1.39 -0.91 1.61 10.64 -1.26 -4.70 117.38 120.22 1k0h n GLN 54 Ca -0.14 -1.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.00 1k0h n GLN 54 Cb 0.62 0.17 0.00 0.00 -0.86 0.00 0.00 30.24 30.17 1k0h n GLN 54 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1k0h n GLY 55 N 3.14 0.52 1.19 2.61 0.00 -1.26 -4.78 105.19 106.61 1k0h n GLY 55 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1k0h n GLY 55 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0h n VAL 56 N -2.89 0.00 0.00 1.61 3.14 -1.26 -5.05 118.33 113.88 1k0h n VAL 56 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1k0h n VAL 56 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 1k0h n VAL 56 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1k0h n ARG 57 N -2.09 0.00 -1.75 1.45 5.12 -1.26 -4.59 116.66 113.54 1k0h n ARG 57 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1k0h n ARG 57 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 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 -0.19 0.00 1.55 3.14 -1.26 -4.14 118.33 117.43 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 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 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 -2.08 0.00 -3.94 1.45 0.28 -1.26 -5.10 120.64 109.98 1k0h n GLU 59 Ca -0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.59 1k0h n GLU 59 Cb 0.43 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.14 1k0h n GLU 59 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1k0h s GLY 60 N -1.96 1.31 -0.06 -1.84 0.00 -1.26 -4.61 107.32 98.90 1k0h s GLY 60 Ca 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.39 1k0h s GLY 60 CO 0.00 0.92 0.01 -1.14 0.00 0.00 0.00 173.10 172.89 1k0h n SER 61 N 4.66 3.58 -4.00 1.64 3.41 -1.26 -4.39 113.62 117.25 1k0h n SER 61 Ca -0.12 -0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 1k0h n SER 61 Cb 0.44 0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 64.82 1k0h n SER 61 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k0h s SER 62 N -3.79 0.84 -0.04 4.04 1.04 -1.26 -5.09 113.70 109.45 1k0h s SER 62 Ca -0.03 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 1k0h s SER 62 Cb 0.02 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1k0h s SER 62 CO 0.23 0.03 0.17 -2.16 0.98 0.00 0.00 173.24 172.50 1k0h s PRO 63 N -0.43 3.44 0.27 4.02 0.04 -1.26 -4.47 135.00 136.61 1k0h s PRO 63 Ca 0.01 -0.27 0.07 0.00 0.04 0.00 0.00 61.00 60.85 1k0h s PRO 63 Cb -0.04 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1k0h s PRO 63 CO -0.00 0.70 0.20 -1.54 0.04 0.00 0.00 177.00 176.40 1k0h s SER 64 N -1.72 5.36 -0.02 6.66 1.04 0.72 -0.14 113.70 125.61 1k0h s SER 64 Ca 0.24 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1k0h s SER 64 Cb -0.12 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.73 1k0h s SER 64 CO 0.15 -0.11 -0.20 -0.22 0.98 0.00 0.00 173.24 173.84 1k0h s LEU 65 N -3.86 2.43 -0.25 2.42 2.96 0.46 0.17 118.68 123.00 1k0h s LEU 65 Ca 0.35 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1k0h s LEU 65 Cb -0.07 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 1k0h s LEU 65 CO 0.25 0.32 0.16 0.12 -1.32 0.00 0.00 176.35 175.89 1k0h s PHE 66 N -0.71 3.27 0.33 5.38 5.36 -0.61 -4.66 117.98 126.36 1k0h s PHE 66 Ca 0.11 0.16 0.08 0.00 -0.96 0.00 0.00 56.93 56.33 1k0h s PHE 66 Cb -0.10 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1k0h s PHE 66 CO 0.00 -0.02 0.11 0.54 -1.46 0.00 0.00 175.22 174.39 1k0h s VAL 67 N 1.30 2.99 -0.30 3.12 0.11 -1.26 -2.91 120.40 123.45 1k0h s VAL 67 Ca 0.07 -1.76 0.13 0.00 -2.93 0.00 0.00 61.98 57.50 1k0h s VAL 67 Cb -0.14 -2.94 0.47 0.00 -1.53 0.00 0.00 36.38 32.24 1k0h s VAL 67 CO 0.07 -0.20 1.13 -1.14 -3.33 0.00 0.00 175.10 171.63 1k0h n ARG 68 N -1.10 2.74 0.00 1.54 3.00 -1.24 -5.00 116.66 116.60 1k0h n ARG 68 Ca -0.04 -3.90 0.00 0.00 -0.00 0.00 0.00 57.85 53.91 1k0h n ARG 68 Cb 0.61 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 31.11 1k0h n ARG 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1k0h n THR 69 N -0.59 0.00 0.00 5.15 -2.24 -1.26 -5.03 114.28 110.31 1k0h n THR 69 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1k0h n THR 69 Cb 0.86 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.00 -0.10 3.42 2.03 -1.26 -5.01 116.55 115.64 1k0h n ASP 70 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1k0h n ASP 70 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 1k0h n ASP 70 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0h n GLU 71 N 0.00 0.67 0.17 -0.67 1.02 -1.26 -4.22 120.64 116.35 1k0h n GLU 71 Ca 0.00 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1k0h n GLU 71 Cb 0.00 -1.56 0.50 0.00 -0.02 0.00 0.00 31.44 30.36 1k0h n GLU 71 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1k0h h VAL 72 N 0.01 1.10 -0.78 2.62 -1.51 -1.95 -0.34 116.25 115.40 1k0h h VAL 72 Ca -0.53 -0.41 0.05 0.00 -1.23 0.00 0.00 66.70 64.58 1k0h h VAL 72 Cb 2.07 1.07 -0.05 0.00 -2.13 0.00 0.00 31.29 32.25 1k0h h VAL 72 CO -0.01 0.13 0.48 -0.09 -1.23 0.00 0.00 177.57 176.85 1k0h h ARG 73 N 0.14 0.87 0.00 5.19 1.12 -1.91 0.22 114.38 120.01 1k0h h ARG 73 Ca 0.03 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1k0h h ARG 73 Cb 0.18 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1k0h h ARG 73 CO 0.01 0.58 -0.03 1.96 -3.11 0.00 0.00 179.97 179.37 1k0h h GLN 74 N 0.90 0.00 -3.90 0.20 4.20 -1.27 -3.37 115.11 111.87 1k0h h GLN 74 Ca 0.33 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.80 1k0h h GLN 74 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1k0h h GLN 74 CO -0.15 0.03 1.74 -0.11 -0.67 0.00 0.00 178.83 179.67 1k0h n LEU 75 N -3.14 2.26 -4.70 1.46 0.00 0.76 -4.90 117.00 108.74 1k0h n LEU 75 Ca 0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 56.01 53.76 1k0h n LEU 75 Cb 0.31 -0.77 0.09 0.00 0.00 0.00 0.00 43.42 43.05 1k0h n LEU 75 CO 0.28 -0.53 0.80 0.54 0.00 0.00 0.00 177.39 178.47 1k0h n ARG 76 N 5.08 0.68 -0.99 1.96 5.12 -1.26 -4.87 116.66 122.38 1k0h n ARG 76 Ca 0.24 0.30 -0.36 0.00 -1.93 0.00 0.00 57.85 56.10 1k0h n ARG 76 Cb 0.11 -2.45 0.05 0.00 -1.16 0.00 0.00 32.46 29.01 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 -2.40 -0.04 -2.30 5.56 0.63 -1.26 -3.46 116.66 113.39 1k0h n ARG 77 Ca 0.15 -0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.00 1k0h n ARG 77 Cb 0.49 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 32.26 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 3.13 0.14 3.01 5.14 0.00 -1.26 -5.03 105.19 110.31 1k0h n GLY 78 Ca -0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.76 1.87 -0.11 1.61 1.11 -1.22 -4.65 116.67 112.52 1k0h s ASP 79 Ca 0.04 -0.31 -0.07 0.00 0.18 0.00 0.00 52.55 52.40 1k0h s ASP 79 Cb -0.02 -0.84 -0.04 0.00 1.07 0.00 0.00 42.92 43.09 1k0h s ASP 79 CO 0.05 0.01 0.14 -0.89 1.18 0.00 0.00 175.17 175.67 1k0h s THR 80 N 0.82 5.50 0.10 -1.27 2.01 -1.14 -2.82 115.64 118.85 1k0h s THR 80 Ca -0.12 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1k0h s THR 80 Cb -0.15 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1k0h s THR 80 CO 0.02 0.60 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.99 1k0h s LEU 81 N -1.10 2.51 -0.09 4.42 2.34 0.30 -0.15 118.68 126.91 1k0h s LEU 81 Ca 0.16 -0.99 0.03 0.00 0.06 0.00 0.00 54.13 53.39 1k0h s LEU 81 Cb -0.12 -0.12 0.01 0.00 -0.56 0.00 0.00 46.19 45.40 1k0h s LEU 81 CO 0.05 -0.44 -0.20 0.42 -1.06 0.00 0.00 176.35 175.13 1k0h s THR 82 N -3.52 1.74 -0.01 5.48 -4.23 0.23 0.19 115.64 115.51 1k0h s THR 82 Ca 0.12 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1k0h s THR 82 Cb 0.04 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1k0h s THR 82 CO -0.04 0.49 -0.01 -0.51 -0.54 0.00 0.00 174.62 174.01 1k0h s ILE 83 N 0.50 0.19 0.00 2.99 2.07 -1.26 0.17 121.20 125.86 1k0h s ILE 83 Ca -0.16 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1k0h s ILE 83 Cb -0.17 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.20 1k0h s ILE 83 CO 0.06 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 1k0h n GLY 84 N 3.51 0.52 0.44 1.50 0.00 -1.00 0.18 105.19 110.34 1k0h n GLY 84 Ca -0.19 0.48 0.25 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.01 1.61 4.39 -1.94 -3.45 114.58 115.18 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 -3.87 0.00 -3.55 2.33 0.28 0.47 -4.42 120.64 111.89 1k0h n GLU 86 Ca 0.14 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.94 1k0h n GLU 86 Cb 0.87 -0.23 -0.14 0.00 1.43 0.00 0.00 31.44 33.37 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 -2.07 1.58 -0.01 -1.84 -0.87 -1.17 -4.27 114.94 106.29 1k0h s ASN 87 Ca 0.00 -0.27 -0.01 0.00 -1.57 0.00 0.00 52.86 51.02 1k0h s ASN 87 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.25 41.43 1k0h s ASN 87 CO 0.00 -0.32 0.02 -0.36 -2.57 0.00 0.00 177.10 173.86 1k0h s PHE 88 N 2.27 -0.02 0.01 2.20 0.08 0.49 -4.09 117.98 118.92 1k0h s PHE 88 Ca 0.05 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.17 1k0h s PHE 88 Cb -0.15 0.00 -0.01 0.00 -0.57 0.00 0.00 43.02 42.29 1k0h s PHE 88 CO -0.10 -0.01 -0.07 -0.46 -0.10 0.00 0.00 175.22 174.47 1k0h s TRP 89 N 0.04 0.64 -0.50 0.36 -0.00 0.10 0.11 118.94 119.68 1k0h s TRP 89 Ca -0.00 -0.20 -0.26 0.00 -0.00 0.00 0.00 56.10 55.64 1k0h s TRP 89 Cb -0.00 -0.40 0.03 0.00 -0.00 0.00 0.00 33.47 33.10 1k0h s TRP 89 CO -0.00 -0.02 0.98 0.08 -0.00 0.00 0.00 176.95 177.99 1k0h s VAL 90 N -0.45 4.37 -1.57 5.86 1.01 -1.13 0.19 120.40 128.69 1k0h s VAL 90 Ca -0.00 0.70 0.28 0.00 0.00 0.00 0.00 61.98 62.96 1k0h s VAL 90 Cb -0.04 -4.51 0.37 0.00 0.00 0.00 0.00 36.38 32.20 1k0h s VAL 90 CO -0.00 -0.98 1.78 -0.67 0.00 0.00 0.00 175.10 175.23 1k0h n ASP 91 N 7.46 0.53 -3.91 3.32 -0.08 0.46 -4.56 116.55 119.77 1k0h n ASP 91 Ca 0.06 -0.52 -0.24 0.00 -1.51 0.00 0.00 54.79 52.58 1k0h n ASP 91 Cb 0.48 -0.05 0.07 0.00 2.34 0.00 0.00 41.12 43.97 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 -0.99 -0.79 -4.06 -0.67 1.74 -0.87 -4.87 116.66 106.16 1k0h n ARG 92 Ca 0.13 -0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 56.88 1k0h n ARG 92 Cb 0.30 -1.23 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.06 0.40 -0.45 1.55 1.01 -1.26 -4.87 120.40 114.71 1k0h s VAL 93 Ca 0.31 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1k0h s VAL 93 Cb 0.01 -0.87 0.19 0.00 0.00 0.00 0.00 36.38 35.71 1k0h s VAL 93 CO 0.44 -0.61 0.72 -0.44 0.00 0.00 0.00 175.10 175.20 1k0h s SER 94 N -2.05 -1.37 0.60 3.32 0.01 -1.26 -4.61 113.70 108.33 1k0h s SER 94 Ca -0.05 -1.16 0.29 0.00 1.31 0.00 0.00 55.95 56.35 1k0h s SER 94 Cb -0.04 1.78 1.62 0.00 0.21 0.00 0.00 66.02 69.59 1k0h s SER 94 CO -0.03 -0.10 2.04 -0.65 0.41 0.00 0.00 173.24 174.91 1k0h h PRO 95 N 5.88 0.00 0.00 12.44 0.11 -2.00 -3.43 132.00 145.01 1k0h h PRO 95 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1k0h h PRO 95 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1k0h h PRO 95 CO 0.04 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.36 1k0h n ASP 96 N -3.71 -0.45 -4.05 -2.05 -0.08 -1.26 -5.03 116.55 99.92 1k0h n ASP 96 Ca 0.03 0.15 -0.38 0.00 -1.51 0.00 0.00 54.79 53.09 1k0h n ASP 96 Cb 0.41 0.65 -0.04 0.00 2.34 0.00 0.00 41.12 44.49 1k0h n ASP 96 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1k0h n ASP 97 N -2.45 4.76 -4.71 1.67 9.92 -1.26 -5.07 116.55 119.41 1k0h n ASP 97 Ca 0.00 -3.21 -0.32 0.00 -0.53 0.00 0.00 54.79 50.73 1k0h n ASP 97 Cb 0.00 -1.10 0.12 0.00 -0.64 0.00 0.00 41.12 39.50 1k0h n ASP 97 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1k0h s GLY 98 N -0.49 1.94 0.00 0.44 0.00 -1.26 -4.87 107.32 103.08 1k0h s GLY 98 Ca 0.30 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1k0h s GLY 98 CO -0.07 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.67 1k0h n GLY 99 N -0.05 0.00 3.64 0.20 0.00 -1.26 -5.09 105.19 102.63 1k0h n GLY 99 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1k0h n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k0h s SER 100 N 0.00 5.60 -0.88 1.61 1.04 -1.26 -5.00 113.70 114.81 1k0h s SER 100 Ca 0.00 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1k0h s SER 100 Cb 0.00 -1.94 0.04 0.00 0.10 0.00 0.00 66.02 64.22 1k0h s SER 100 CO 0.00 0.19 2.72 0.00 0.98 0.00 0.00 173.24 177.13 1k0h n HIS 102 N 1.63 0.00 -2.77 0.00 -0.00 -1.26 -5.08 115.22 107.74 1k0h n HIS 102 Ca 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.24 1k0h n HIS 102 Cb 0.43 -0.57 0.01 0.00 -0.00 0.00 0.00 29.99 29.86 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 -3.05 -7.08 -4.60 0.27 0.00 -1.26 -4.36 117.00 96.92 1k0h n LEU 103 Ca -0.27 0.33 -0.38 0.00 0.00 0.00 0.00 56.01 55.69 1k0h n LEU 103 Cb 0.77 -3.15 -0.11 0.00 0.00 0.00 0.00 43.42 40.94 1k0h n LEU 103 CO 0.13 -1.82 -0.14 0.26 0.00 0.00 0.00 177.39 175.81 1k0h s TRP 104 N -2.60 3.23 0.27 1.96 0.51 -1.26 0.17 118.94 121.22 1k0h s TRP 104 Ca 0.16 0.16 0.08 0.00 -2.12 0.00 0.00 56.10 54.38 1k0h s TRP 104 Cb -0.05 -2.40 -0.04 0.00 -0.81 0.00 0.00 33.47 30.18 1k0h s TRP 104 CO 0.69 -0.15 0.17 -0.51 -0.51 0.00 0.00 176.95 176.63 1k0h s LEU 105 N 1.75 3.62 -0.14 2.99 1.43 0.81 0.17 118.68 129.31 1k0h s LEU 105 Ca 0.08 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1k0h s LEU 105 Cb -0.16 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1k0h s LEU 105 CO 0.10 -0.10 -0.05 -0.83 0.23 0.00 0.00 176.35 175.71 1k0h s GLY 106 N -3.83 0.84 0.22 -3.19 0.00 0.49 -4.25 107.32 97.59 1k0h s GLY 106 Ca 0.34 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1k0h s GLY 106 CO 0.24 0.95 0.38 0.50 0.00 0.00 0.00 173.10 175.17 1k0h s ARG 107 N 1.72 3.48 -0.28 2.90 1.81 -1.26 0.00 118.95 127.32 1k0h s ARG 107 Ca 0.03 -0.50 0.19 0.00 -1.72 0.00 0.00 55.73 53.73 1k0h s ARG 107 Cb -0.14 -2.86 0.47 0.00 -0.45 0.00 0.00 34.95 31.97 1k0h s ARG 107 CO -0.08 0.40 1.26 0.41 -0.68 0.00 0.00 175.30 176.61 1k0h n GLY 108 N -0.97 1.84 2.11 -3.53 0.00 -1.26 -4.98 105.19 98.40 1k0h n GLY 108 Ca -0.06 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.89 0.00 -2.51 1.61 3.14 -1.26 -4.89 118.33 113.53 1k0h n VAL 109 Ca -0.02 -0.18 -0.25 0.00 -2.96 0.00 0.00 64.34 60.94 1k0h n VAL 109 Cb 0.83 -0.12 0.13 0.00 -1.06 0.00 0.00 33.84 33.62 1k0h n VAL 109 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1k0h s PRO 110 N 4.72 1.37 -0.00 1.45 0.04 -1.26 -5.06 135.00 136.26 1k0h s PRO 110 Ca 0.81 -1.11 -0.05 0.00 0.04 0.00 0.00 61.00 60.69 1k0h s PRO 110 Cb -0.62 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1k0h s PRO 110 CO 0.32 -1.70 0.59 -1.35 0.04 0.00 0.00 177.00 174.90 1k0h h PRO 111 N -0.77 -0.17 -5.98 0.56 0.11 -1.92 -3.43 132.00 120.40 1k0h h PRO 111 Ca -0.36 0.01 -0.69 0.00 0.11 0.00 0.00 66.00 65.07 1k0h h PRO 111 Cb 1.25 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1k0h h PRO 111 CO 0.37 -0.12 1.41 0.00 -0.21 0.00 0.00 178.00 179.45 1k0h n ALA 112 N -2.18 0.91 -2.24 -0.75 0.00 -1.26 -4.75 120.51 110.23 1k0h n ALA 112 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1k0h n ALA 112 Cb 0.07 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.07 1k0h n ALA 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1k0h n VAL 113 N 7.08 0.00 -3.33 0.00 3.14 -1.26 -4.89 118.33 119.08 1k0h n VAL 113 Ca 0.44 -0.49 -0.22 0.00 -2.96 0.00 0.00 64.34 61.11 1k0h n VAL 113 Cb 0.18 0.73 0.02 0.00 -1.06 0.00 0.00 33.84 33.71 1k0h n VAL 113 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1k0h n ASN 114 N 0.24 -6.37 -4.89 6.55 2.85 -1.26 -4.94 115.26 107.45 1k0h n ASN 114 Ca 0.02 -0.14 -0.33 0.00 -0.11 0.00 0.00 54.58 54.03 1k0h n ASN 114 Cb 0.92 -3.22 -0.05 0.00 1.24 0.00 0.00 39.78 38.66 1k0h n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1k0h s ARG 115 N -3.12 3.68 -0.03 1.20 0.52 -1.26 -5.10 118.95 114.84 1k0h s ARG 115 Ca 0.21 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1k0h s ARG 115 Cb -0.03 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.60 1k0h s ARG 115 CO 0.83 0.48 0.06 -0.98 0.02 0.00 0.00 175.30 175.71 1k0h s ARG 116 N -2.43 -0.03 0.00 3.54 1.04 -1.26 -5.26 118.95 114.55 1k0h s ARG 116 Ca 0.39 0.28 0.00 0.00 -1.04 0.00 0.00 55.73 55.36 1k0h s ARG 116 Cb -0.13 -0.30 0.00 0.00 -2.04 0.00 0.00 34.95 32.48 1k0h s ARG 116 CO 0.22 -0.22 0.00 2.89 -0.04 0.00 0.00 175.30 178.15