#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 -1.97 0.67 2.98 9.36 -1.26 -4.89 117.16 122.05 2k1s n TYR 2 Ca 0.00 0.38 0.13 0.00 3.32 0.00 0.00 57.90 61.73 2k1s n TYR 2 Cb 0.00 1.10 0.46 0.00 -0.63 0.00 0.00 39.34 40.27 2k1s n TYR 2 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2k1s n MET 3 N -2.91 0.17 -0.16 2.98 2.81 -1.26 -3.72 117.12 115.03 2k1s n MET 3 Ca 0.00 0.20 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 2k1s n MET 3 Cb 0.00 -1.72 0.06 0.00 -0.71 0.00 0.00 33.22 30.84 2k1s n MET 3 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2k1s h ASP 4 N 0.00 -0.27 0.22 7.83 3.58 -1.99 -0.56 116.42 125.23 2k1s h ASP 4 Ca 0.00 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2k1s h ASP 4 Cb 0.60 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2k1s h ASP 4 CO 0.00 -0.10 -0.19 1.62 -2.88 0.00 0.00 179.24 177.69 2k1s h VAL 5 N 0.09 1.08 -0.08 2.25 3.04 -1.96 0.12 116.25 120.80 2k1s h VAL 5 Ca 0.26 -0.67 -0.08 0.00 -1.01 0.00 0.00 66.70 65.20 2k1s h VAL 5 Cb 0.39 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 2k1s h VAL 5 CO -0.45 0.19 -0.24 1.56 -1.01 0.00 0.00 177.57 177.62 2k1s h GLN 6 N 0.00 0.31 -0.91 4.17 4.20 -1.42 -2.72 115.11 118.74 2k1s h GLN 6 Ca -0.00 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.51 2k1s h GLN 6 Cb 0.35 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 2k1s h GLN 6 CO 0.03 0.84 0.60 0.93 -0.67 0.00 0.00 178.83 180.55 2k1s h GLU 7 N -0.16 1.14 -0.17 1.46 5.08 -0.45 0.18 114.58 121.66 2k1s h GLU 7 Ca -0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k1s h GLU 7 Cb 0.86 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2k1s h GLU 7 CO 0.05 0.76 0.09 0.00 -1.00 0.00 0.00 179.01 178.90 2k1s h ALA 8 N 1.36 0.21 0.00 3.43 0.00 -1.01 0.10 119.26 123.36 2k1s h ALA 8 Ca 0.35 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2k1s h ALA 8 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k1s h ALA 8 CO -0.10 -0.24 -0.53 0.87 0.00 0.00 0.00 179.25 179.25 2k1s h LYS 9 N 0.16 0.00 -0.13 0.00 1.57 -1.14 -1.79 116.57 115.25 2k1s h LYS 9 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2k1s h LYS 9 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2k1s h LYS 9 CO -0.01 0.53 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.81 2k1s h LEU 10 N 0.00 0.39 -1.36 2.94 3.38 -0.80 -2.43 115.31 117.43 2k1s h LEU 10 Ca -0.01 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2k1s h LEU 10 Cb 1.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2k1s h LEU 10 CO 0.07 0.84 -0.32 -0.09 0.09 0.00 0.00 178.44 179.02 2k1s h ARG 11 N 0.28 0.00 0.02 1.13 2.43 0.02 0.14 114.38 118.40 2k1s h ARG 11 Ca 0.01 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 2k1s h ARG 11 Cb 1.01 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2k1s h ARG 11 CO 0.09 0.32 -1.02 -0.44 -1.51 0.00 0.00 179.97 177.41 2k1s h ASP 12 N 0.00 0.65 -0.13 -3.80 3.32 -1.25 -3.32 116.42 111.89 2k1s h ASP 12 Ca -0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 57.03 56.32 2k1s h ASP 12 Cb 0.58 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2k1s h ASP 12 CO 0.04 1.35 -0.66 0.11 -1.72 0.00 0.00 179.24 178.36 2k1s h LYS 13 N 0.26 0.67 -0.51 3.56 1.57 -0.92 -3.28 116.57 117.92 2k1s h LYS 13 Ca -0.11 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2k1s h LYS 13 Cb 1.67 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.10 2k1s h LYS 13 CO 0.18 1.17 0.00 -1.33 -0.57 0.00 0.00 179.45 178.90 2k1s n MET 14 N -4.07 1.70 -2.04 3.15 2.81 0.44 -4.69 117.12 114.42 2k1s n MET 14 Ca -0.08 -0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 54.70 2k1s n MET 14 Cb 0.69 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.76 2k1s n MET 14 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2k1s s ARG 15 N -1.61 2.61 0.00 0.03 0.52 -1.24 -2.79 118.95 116.47 2k1s s ARG 15 Ca 0.13 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 2k1s s ARG 15 Cb 0.09 -4.50 0.00 0.00 0.52 0.00 0.00 34.95 31.05 2k1s s ARG 15 CO 0.07 -2.84 0.00 0.41 0.02 0.00 0.00 175.30 172.95 2k1s n GLY 16 N 5.89 0.74 0.18 -3.53 0.00 -1.26 -4.92 105.19 102.28 2k1s n GLY 16 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 2k1s n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k1s h THR 17 N 0.00 0.00 0.00 2.61 1.35 -1.80 -3.47 112.91 111.61 2k1s h THR 17 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 2k1s h THR 17 Cb 0.00 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2k1s h THR 17 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k1s n GLY 18 N 1.15 0.65 3.65 5.82 0.00 -1.26 -4.77 105.19 110.43 2k1s n GLY 18 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -2.21 4.27 -0.58 1.61 1.01 -1.26 -4.55 120.40 118.69 2k1s s VAL 19 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.21 2k1s s VAL 19 Cb 0.00 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2k1s s VAL 19 CO 0.00 -0.28 1.10 -0.44 0.00 0.00 0.00 175.10 175.49 2k1s s SER 20 N 2.21 6.39 -0.54 3.32 0.01 0.23 -4.88 113.70 120.43 2k1s s SER 20 Ca 0.54 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.41 2k1s s SER 20 Cb -0.19 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2k1s s SER 20 CO 0.17 -1.41 1.37 -0.69 0.41 0.00 0.00 173.24 173.09 2k1s s VAL 21 N 4.61 3.85 -0.10 3.43 1.01 -1.26 -1.52 120.40 130.42 2k1s s VAL 21 Ca 0.37 0.76 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2k1s s VAL 21 Cb -0.10 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2k1s s VAL 21 CO 0.22 -1.14 -0.15 -0.89 0.00 0.00 0.00 175.10 173.14 2k1s s THR 22 N 5.75 2.91 -0.23 3.92 2.01 0.60 -4.99 115.64 125.60 2k1s s THR 22 Ca 0.52 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 2k1s s THR 22 Cb -0.10 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 2k1s s THR 22 CO 0.26 0.55 0.22 -0.60 -0.69 0.00 0.00 174.62 174.36 2k1s s ARG 23 N 0.05 4.09 -0.04 4.92 3.00 -1.26 0.47 118.95 130.17 2k1s s ARG 23 Ca -0.06 -0.16 -0.02 0.00 -1.00 0.00 0.00 55.73 54.50 2k1s s ARG 23 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 34.95 31.30 2k1s s ARG 23 CO 0.05 0.03 0.07 -1.12 0.00 0.00 0.00 175.30 174.33 2k1s s SER 24 N 1.07 0.49 0.44 -2.12 0.01 -0.99 -4.96 113.70 107.63 2k1s s SER 24 Ca 0.10 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2k1s s SER 24 Cb -0.14 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2k1s s SER 24 CO 0.05 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2k1s n GLY 25 N 4.71 0.76 0.69 3.44 0.00 -1.26 -1.46 105.19 112.07 2k1s n GLY 25 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2k1s n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k1s n ASP 26 N 6.17 0.11 -4.21 1.61 2.03 -1.26 -5.10 116.55 115.89 2k1s n ASP 26 Ca 0.00 -1.81 -0.12 0.00 0.52 0.00 0.00 54.79 53.38 2k1s n ASP 26 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 2k1s n ASP 26 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k1s s ASN 27 N -0.98 0.70 -0.23 1.67 4.22 -0.53 -4.61 114.94 115.18 2k1s s ASN 27 Ca 0.06 -1.26 -0.09 0.00 -2.14 0.00 0.00 52.86 49.43 2k1s s ASN 27 Cb 0.06 0.24 -0.04 0.00 1.28 0.00 0.00 41.25 42.79 2k1s s ASN 27 CO -0.03 -0.70 0.11 -0.63 -2.04 0.00 0.00 177.10 173.81 2k1s s ILE 28 N -3.90 4.92 -0.47 0.54 1.01 -1.00 -2.35 121.20 119.95 2k1s s ILE 28 Ca 0.29 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 2k1s s ILE 28 Cb 0.07 -3.29 0.09 0.00 0.01 0.00 0.00 42.46 39.34 2k1s s ILE 28 CO 0.06 0.36 0.38 -0.63 0.00 0.00 0.00 174.94 175.11 2k1s s ILE 29 N 1.14 4.90 -0.73 2.92 -1.09 0.18 -0.34 121.20 128.16 2k1s s ILE 29 Ca 0.06 -1.28 -0.19 0.00 -2.23 0.00 0.00 60.65 57.01 2k1s s ILE 29 Cb -0.14 -4.00 0.12 0.00 -1.58 0.00 0.00 42.46 36.86 2k1s s ILE 29 CO 0.04 -0.63 0.88 -0.76 -1.23 0.00 0.00 174.94 173.25 2k1s s LEU 30 N 1.56 5.28 -0.47 2.97 1.43 0.27 -0.29 118.68 129.43 2k1s s LEU 30 Ca 0.04 -1.69 -0.24 0.00 -1.03 0.00 0.00 54.13 51.21 2k1s s LEU 30 Cb -0.25 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.66 2k1s s LEU 30 CO 0.04 -1.09 0.87 0.21 0.23 0.00 0.00 176.35 176.61 2k1s s ASN 31 N 3.46 6.43 -0.40 2.29 3.84 -0.58 -0.95 114.94 129.03 2k1s s ASN 31 Ca 0.20 -0.07 -0.05 0.00 0.21 0.00 0.00 52.86 53.15 2k1s s ASN 31 Cb -0.16 -2.42 0.09 0.00 -0.55 0.00 0.00 41.25 38.22 2k1s s ASN 31 CO 0.00 -1.02 0.20 -0.04 -2.79 0.00 0.00 177.10 173.45 2k1s s MET 32 N 3.58 2.27 1.13 0.43 -1.94 -0.09 -0.60 119.30 124.08 2k1s s MET 32 Ca 0.33 -1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 52.55 2k1s s MET 32 Cb -0.11 -3.61 0.27 0.00 2.01 0.00 0.00 34.83 33.39 2k1s s MET 32 CO 0.23 -0.98 1.04 -2.14 -0.01 0.00 0.00 175.02 173.17 2k1s s PRO 33 N 1.26 -0.69 0.06 2.03 0.02 -1.26 -1.17 135.00 135.25 2k1s s PRO 33 Ca 0.05 0.98 -0.35 0.00 0.02 0.00 0.00 61.00 61.69 2k1s s PRO 33 Cb -0.23 -1.57 -0.20 0.00 0.02 0.00 0.00 34.50 32.53 2k1s s PRO 33 CO -0.02 -3.61 1.53 -0.91 -0.33 0.00 0.00 177.00 173.66 2k1s h ASN 34 N -2.55 -0.99 0.00 2.53 2.35 -1.88 -3.18 115.58 111.87 2k1s h ASN 34 Ca -0.59 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2k1s h ASN 34 Cb 1.32 0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.95 2k1s h ASN 34 CO 0.48 -0.68 0.00 -0.46 -1.65 0.00 0.00 177.43 175.12 2k1s n ASN 35 N -5.58 0.00 -0.13 5.81 0.23 -1.26 -0.61 115.26 113.72 2k1s n ASN 35 Ca -0.15 -1.02 0.06 0.00 -0.53 0.00 0.00 54.58 52.93 2k1s n ASN 35 Cb 0.47 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 2k1s n ASN 35 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2k1s n VAL 36 N -0.84 0.00 -0.01 3.53 0.24 -1.20 -4.73 118.33 115.32 2k1s n VAL 36 Ca 0.13 -0.30 -0.02 0.00 -2.04 0.00 0.00 64.34 62.11 2k1s n VAL 36 Cb 0.06 1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 33.49 2k1s n VAL 36 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k1s n THR 37 N -0.77 0.09 -3.79 3.34 -1.04 -0.64 -4.10 114.28 107.37 2k1s n THR 37 Ca 0.03 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.82 2k1s n THR 37 Cb 0.21 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2k1s n THR 37 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2k1s n PHE 38 N -3.07 -0.81 0.00 -1.42 3.72 0.22 -3.59 117.46 112.51 2k1s n PHE 38 Ca -0.03 -1.75 0.00 0.00 -0.05 0.00 0.00 57.45 55.61 2k1s n PHE 38 Cb 0.52 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2k1s n PHE 38 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k1s n ASP 39 N -1.88 0.00 0.00 4.37 2.03 -1.02 -4.55 116.55 115.50 2k1s n ASP 39 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k1s n ASP 39 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2k1s n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k1s n SER 40 N -0.01 0.00 -0.17 1.67 3.41 -1.26 -4.76 113.62 112.51 2k1s n SER 40 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2k1s n SER 40 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2k1s n SER 40 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k1s n SER 41 N -2.25 0.00 -2.01 4.04 2.88 -1.26 -4.39 113.62 110.63 2k1s n SER 41 Ca 0.00 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 2k1s n SER 41 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2k1s n SER 41 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k1s n SER 42 N 0.00 0.00 -1.35 -3.46 7.64 -1.26 -4.99 113.62 110.21 2k1s n SER 42 Ca 0.00 -0.99 0.08 0.00 1.01 0.00 0.00 58.87 58.97 2k1s n SER 42 Cb 0.55 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.07 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1s n ALA 43 N -3.00 3.31 -2.58 -0.43 0.00 -1.26 -4.64 120.51 111.91 2k1s n ALA 43 Ca 0.00 -2.02 -0.43 0.00 0.00 0.00 0.00 53.44 50.99 2k1s n ALA 43 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -2.60 4.24 -0.44 0.00 2.01 -1.26 -4.83 115.64 112.76 2k1s s THR 44 Ca 0.47 1.31 -0.28 0.00 0.31 0.00 0.00 61.69 63.50 2k1s s THR 44 Cb 0.36 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2k1s s THR 44 CO 0.14 -0.86 1.55 -0.76 -0.69 0.00 0.00 174.62 174.00 2k1s s LEU 45 N 4.37 3.50 0.64 4.42 1.43 -1.26 -2.44 118.68 129.34 2k1s s LEU 45 Ca 0.49 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.28 2k1s s LEU 45 Cb -0.09 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 2k1s s LEU 45 CO 0.28 -1.65 1.01 -1.59 0.23 0.00 0.00 176.35 174.64 2k1s s LYS 46 N 5.43 3.21 0.26 1.70 -2.85 -1.24 -4.75 119.74 121.50 2k1s s LYS 46 Ca 0.65 0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 56.06 2k1s s LYS 46 Cb -0.15 -2.11 0.54 0.00 -2.06 0.00 0.00 37.83 34.05 2k1s s LYS 46 CO 0.30 -0.73 1.66 -1.35 0.10 0.00 0.00 175.35 175.33 2k1s h PRO 47 N -0.38 0.21 -0.07 1.78 0.11 -1.95 0.30 132.00 132.01 2k1s h PRO 47 Ca -0.45 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.68 2k1s h PRO 47 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2k1s h PRO 47 CO 0.62 0.14 -0.11 0.00 -0.21 0.00 0.00 178.00 178.45 2k1s h ALA 48 N 1.69 -0.06 -0.47 -0.75 0.00 -1.92 0.26 119.26 118.02 2k1s h ALA 48 Ca 0.46 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.30 2k1s h ALA 48 Cb 0.85 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k1s h ALA 48 CO -0.59 -0.58 -0.12 0.78 0.00 0.00 0.00 179.25 178.74 2k1s h GLY 49 N -0.15 0.98 0.84 0.00 0.00 -1.30 -1.95 103.07 101.50 2k1s h GLY 49 Ca 0.06 -0.81 0.02 0.00 0.00 0.00 0.00 47.33 46.60 2k1s h GLY 49 CO -0.15 0.74 0.11 0.00 0.00 0.00 0.00 176.54 177.24 2k1s h ALA 50 N 0.88 0.31 -0.75 3.60 0.00 -0.21 0.27 119.26 123.35 2k1s h ALA 50 Ca 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k1s h ALA 50 Cb 0.67 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2k1s h ALA 50 CO 0.05 -0.29 0.29 -0.91 0.00 0.00 0.00 179.25 178.39 2k1s h ASN 51 N 0.25 1.04 -0.29 0.00 2.35 -0.89 0.08 115.58 118.11 2k1s h ASN 51 Ca 0.11 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2k1s h ASN 51 Cb 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2k1s h ASN 51 CO -0.09 0.93 0.19 0.74 -1.65 0.00 0.00 177.43 177.54 2k1s h THR 52 N 1.10 1.06 -0.30 2.81 2.02 -0.76 -0.29 112.91 118.54 2k1s h THR 52 Ca 0.25 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2k1s h THR 52 Cb 0.22 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2k1s h THR 52 CO -0.02 0.07 -0.09 -0.07 0.37 0.00 0.00 175.52 175.78 2k1s h LEU 53 N 0.38 0.47 -0.78 2.58 3.38 -0.61 -2.16 115.31 118.57 2k1s h LEU 53 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2k1s h LEU 53 Cb -0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2k1s h LEU 53 CO -0.03 0.60 0.31 0.74 0.09 0.00 0.00 178.44 180.14 2k1s h THR 54 N 0.46 1.26 -0.77 0.22 2.02 -0.34 -0.65 112.91 115.11 2k1s h THR 54 Ca 0.09 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2k1s h THR 54 Cb 0.43 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2k1s h THR 54 CO 0.02 0.33 0.35 1.23 0.37 0.00 0.00 175.52 177.83 2k1s h GLY 55 N 1.13 1.18 0.93 2.16 0.00 -0.47 -0.40 103.07 107.60 2k1s h GLY 55 Ca 0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2k1s h GLY 55 CO -0.02 0.56 0.14 -2.08 0.00 0.00 0.00 176.54 175.14 2k1s h VAL 56 N 1.09 1.16 -0.43 4.60 2.07 -0.93 -2.54 116.25 121.28 2k1s h VAL 56 Ca 0.26 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2k1s h VAL 56 Cb 0.13 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2k1s h VAL 56 CO -0.03 0.16 0.25 0.00 0.02 0.00 0.00 177.57 177.97 2k1s h ALA 57 N 0.99 1.64 -0.66 1.67 0.00 -0.66 -1.15 119.26 121.09 2k1s h ALA 57 Ca 0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k1s h ALA 57 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2k1s h ALA 57 CO -0.01 0.31 0.08 0.52 0.00 0.00 0.00 179.25 180.15 2k1s h MET 58 N 0.58 1.12 -0.02 0.00 2.86 -0.80 -1.23 114.93 117.45 2k1s h MET 58 Ca 0.15 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 2k1s h MET 58 Cb -0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2k1s h MET 58 CO -0.03 1.03 -0.51 0.28 1.06 0.00 0.00 176.91 178.75 2k1s h VAL 59 N 1.04 1.36 0.00 -2.22 2.07 -0.95 -1.92 116.25 115.63 2k1s h VAL 59 Ca 0.20 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 2k1s h VAL 59 Cb 0.48 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2k1s h VAL 59 CO 0.02 0.50 -0.12 -0.07 0.02 0.00 0.00 177.57 177.92 2k1s h LEU 60 N 0.04 0.00 -0.26 2.57 -0.00 -0.76 0.25 115.31 117.14 2k1s h LEU 60 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2k1s h LEU 60 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2k1s h LEU 60 CO 0.07 0.12 -0.88 0.11 -0.00 0.00 0.00 178.44 177.86 2k1s h LYS 61 N 0.00 0.31 0.08 1.13 1.79 -0.49 -3.16 116.57 116.23 2k1s h LYS 61 Ca -0.00 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2k1s h LYS 61 Cb 0.57 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2k1s h LYS 61 CO 0.02 1.01 -0.04 0.93 -1.08 0.00 0.00 179.45 180.29 2k1s h GLU 62 N 0.18 -0.10 -3.11 3.15 4.39 -0.71 -3.42 114.58 114.96 2k1s h GLU 62 Ca -0.06 0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.06 2k1s h GLU 62 Cb 1.50 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 29.77 2k1s h GLU 62 CO 0.14 0.44 -0.76 0.71 -1.16 0.00 0.00 179.01 178.38 2k1s s TYR 63 N -3.56 1.62 -0.42 4.33 2.02 0.79 -4.98 117.35 117.15 2k1s s TYR 63 Ca -0.15 -2.01 0.02 0.00 -0.37 0.00 0.00 57.07 54.56 2k1s s TYR 63 Cb 0.00 -1.64 0.16 0.00 -0.40 0.00 0.00 41.96 40.09 2k1s s TYR 63 CO 0.58 -0.83 1.01 -0.35 -1.57 0.00 0.00 175.55 174.40 2k1s n PRO 64 N 4.13 1.52 -0.78 -1.71 -0.04 -1.19 -4.07 135.00 132.86 2k1s n PRO 64 Ca 0.05 -0.67 -0.01 0.00 -0.04 0.00 0.00 63.50 62.83 2k1s n PRO 64 Cb 0.38 -1.43 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k1s n LYS 65 N 0.14 3.46 -4.65 0.54 4.76 -1.26 -4.85 118.16 116.30 2k1s n LYS 65 Ca 0.10 -2.43 -0.23 0.00 -2.87 0.00 0.00 58.31 52.88 2k1s n LYS 65 Cb 0.63 -2.05 -0.15 0.00 -1.84 0.00 0.00 35.03 31.61 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k1s s THR 66 N -2.43 1.14 -0.06 -0.18 -4.23 -1.26 0.13 115.64 108.75 2k1s s THR 66 Ca 0.43 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 2k1s s THR 66 Cb 0.34 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 73.15 2k1s s THR 66 CO 0.11 0.33 0.44 0.00 -0.54 0.00 0.00 174.62 174.96 2k1s s ALA 67 N -0.11 3.58 -0.70 3.99 0.00 0.18 -4.88 121.76 123.84 2k1s s ALA 67 Ca 0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 2k1s s ALA 67 Cb -0.08 -2.52 0.13 0.00 0.00 0.00 0.00 23.12 20.66 2k1s s ALA 67 CO 0.00 0.23 0.78 0.08 0.00 0.00 0.00 175.76 176.85 2k1s s VAL 68 N -0.21 5.00 -0.71 0.00 1.01 0.26 -0.90 120.40 124.85 2k1s s VAL 68 Ca 0.24 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.56 2k1s s VAL 68 Cb -0.16 -4.53 0.08 0.00 0.00 0.00 0.00 36.38 31.78 2k1s s VAL 68 CO 0.12 -1.16 0.98 0.20 0.00 0.00 0.00 175.10 175.24 2k1s s ASN 69 N 3.32 6.26 -0.65 3.32 -0.87 -0.25 -0.93 114.94 125.14 2k1s s ASN 69 Ca 0.16 -1.22 -0.20 0.00 -1.57 0.00 0.00 52.86 50.03 2k1s s ASN 69 Cb -0.18 -2.41 0.09 0.00 -0.02 0.00 0.00 41.25 38.73 2k1s s ASN 69 CO 0.00 -1.36 0.85 -0.69 -2.57 0.00 0.00 177.10 173.33 2k1s s VAL 70 N 3.74 4.61 -0.19 1.60 1.01 0.11 -0.30 120.40 130.99 2k1s s VAL 70 Ca 0.24 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2k1s s VAL 70 Cb -0.15 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.61 2k1s s VAL 70 CO 0.06 -1.30 0.00 -0.63 0.00 0.00 0.00 175.10 173.24 2k1s s ILE 71 N 3.24 4.05 -0.15 2.22 1.01 -0.67 -0.78 121.20 130.12 2k1s s ILE 71 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2k1s s ILE 71 Cb -0.19 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2k1s s ILE 71 CO 0.07 0.44 0.09 -0.83 0.00 0.00 0.00 174.94 174.70 2k1s s GLY 72 N 0.87 2.00 0.08 6.18 0.00 0.02 -0.25 107.32 116.22 2k1s s GLY 72 Ca 0.01 -0.71 0.10 0.00 0.00 0.00 0.00 44.72 44.12 2k1s s GLY 72 CO 0.02 -0.15 -0.26 -0.19 0.00 0.00 0.00 173.10 172.51 2k1s s TYR 73 N -0.24 2.33 0.34 1.90 2.02 -0.16 -2.36 117.35 121.18 2k1s s TYR 73 Ca 0.09 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 2k1s s TYR 73 Cb -0.12 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2k1s s TYR 73 CO 0.01 0.21 0.36 0.95 -1.57 0.00 0.00 175.55 175.51 2k1s s THR 74 N -0.90 0.00 0.00 -0.71 -4.23 0.35 -1.26 115.64 108.88 2k1s s THR 74 Ca 0.13 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2k1s s THR 74 Cb -0.10 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2k1s s THR 74 CO 0.04 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.22 2k1s n ASP 75 N -1.53 0.00 -0.61 3.99 5.75 -1.26 -3.23 116.55 119.65 2k1s n ASP 75 Ca 0.05 -0.40 0.06 0.00 -0.01 0.00 0.00 54.79 54.48 2k1s n ASP 75 Cb 0.62 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.83 2k1s n ASP 75 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2k1s n SER 76 N -1.21 1.46 0.08 -1.12 2.88 -1.26 -4.48 113.62 109.97 2k1s n SER 76 Ca 0.00 -2.97 -0.04 0.00 -1.33 0.00 0.00 58.87 54.53 2k1s n SER 76 Cb 0.00 -0.40 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 2k1s n SER 76 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2k1s h THR 77 N 2.93 1.41 -4.58 2.46 2.02 -1.97 -3.47 112.91 111.71 2k1s h THR 77 Ca -0.05 -3.01 -0.12 0.00 0.77 0.00 0.00 66.41 64.00 2k1s h THR 77 Cb 1.25 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 2k1s h THR 77 CO 0.02 0.80 -0.03 0.61 0.37 0.00 0.00 175.52 177.29 2k1s n GLY 78 N 1.32 2.16 3.72 2.16 0.00 -1.26 -5.05 105.19 108.24 2k1s n GLY 78 Ca -0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2k1s n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1s s GLY 79 N -2.53 1.87 0.15 -0.02 0.00 -1.26 -4.90 107.32 100.64 2k1s s GLY 79 Ca 0.13 1.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 2k1s s GLY 79 CO 0.08 2.44 1.67 0.84 0.00 0.00 0.00 173.10 178.13 2k1s h HIS 80 N 6.49 -0.29 0.00 1.90 2.76 -1.94 0.10 115.15 124.18 2k1s h HIS 80 Ca -0.43 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.64 2k1s h HIS 80 Cb 1.21 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.33 2k1s h HIS 80 CO 0.64 -0.19 -0.63 -0.44 -1.30 0.00 0.00 177.93 176.01 2k1s h ASP 81 N -0.06 0.00 -0.08 3.26 3.32 -1.98 -1.91 116.42 118.97 2k1s h ASP 81 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2k1s h ASP 81 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2k1s h ASP 81 CO -0.36 0.63 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.58 2k1s h LEU 82 N 0.00 0.26 -0.71 1.55 3.38 -1.67 0.24 115.31 118.36 2k1s h LEU 82 Ca -0.01 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 2k1s h LEU 82 Cb 1.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2k1s h LEU 82 CO 0.08 0.76 -0.38 -0.55 0.09 0.00 0.00 178.44 178.44 2k1s h ASN 83 N -0.24 0.00 -0.22 -0.43 7.08 -0.88 -1.02 115.58 119.87 2k1s h ASN 83 Ca 0.00 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.09 2k1s h ASN 83 Cb 0.71 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.95 2k1s h ASN 83 CO 0.03 0.38 -0.37 -0.03 -2.08 0.00 0.00 177.43 175.36 2k1s h MET 84 N 0.00 0.64 -0.57 4.14 4.05 -1.26 0.80 114.93 122.73 2k1s h MET 84 Ca -0.00 -0.40 0.01 0.00 -0.28 0.00 0.00 59.70 59.03 2k1s h MET 84 Cb 1.01 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 2k1s h MET 84 CO 0.05 1.01 0.37 0.00 0.23 0.00 0.00 176.91 178.57 2k1s h ARG 85 N 0.34 0.73 -0.82 0.39 3.08 -0.29 0.27 114.38 118.07 2k1s h ARG 85 Ca 0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2k1s h ARG 85 Cb 0.97 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2k1s h ARG 85 CO 0.08 0.48 0.36 1.25 -1.07 0.00 0.00 179.97 181.07 2k1s h LEU 86 N 0.75 1.11 -0.12 3.04 5.85 -1.11 0.41 115.31 125.25 2k1s h LEU 86 Ca 0.22 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2k1s h LEU 86 Cb -0.06 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 2k1s h LEU 86 CO -0.06 0.96 0.06 -1.28 -0.34 0.00 0.00 178.44 177.78 2k1s h SER 87 N 1.19 0.15 -0.72 1.25 0.87 -0.25 0.99 113.55 117.02 2k1s h SER 87 Ca 0.28 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2k1s h SER 87 Cb 0.18 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2k1s h SER 87 CO -0.03 0.22 0.22 -0.61 -0.53 0.00 0.00 176.83 176.10 2k1s h GLN 88 N 0.08 1.14 -0.23 2.24 5.75 -0.20 -0.67 115.11 123.21 2k1s h GLN 88 Ca 0.04 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.32 2k1s h GLN 88 Cb 0.10 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2k1s h GLN 88 CO -0.01 0.97 0.09 0.37 -2.65 0.00 0.00 178.83 177.60 2k1s h GLN 89 N 1.09 0.19 0.00 1.69 4.15 0.07 -0.49 115.11 121.81 2k1s h GLN 89 Ca 0.24 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.67 2k1s h GLN 89 Cb 0.31 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2k1s h GLN 89 CO -0.01 0.13 -0.25 0.00 -1.93 0.00 0.00 178.83 176.77 2k1s h ARG 90 N 0.20 -0.38 0.04 1.69 3.08 -0.36 -0.21 114.38 118.44 2k1s h ARG 90 Ca 0.10 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2k1s h ARG 90 Cb 0.06 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2k1s h ARG 90 CO -0.09 -0.25 -0.16 0.00 -1.07 0.00 0.00 179.97 178.40 2k1s h ALA 91 N 0.44 -0.22 0.00 0.04 0.00 -0.81 0.01 119.26 118.71 2k1s h ALA 91 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 91 Cb 0.47 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k1s h ALA 91 CO -0.22 -0.66 -0.02 -0.44 0.00 0.00 0.00 179.25 177.91 2k1s h ASP 92 N -0.28 0.00 -0.06 0.00 3.32 -1.02 -0.56 116.42 117.81 2k1s h ASP 92 Ca 0.04 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 2k1s h ASP 92 Cb 0.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2k1s h ASP 92 CO -0.13 0.02 -0.59 0.28 -1.72 0.00 0.00 179.24 177.10 2k1s h SER 93 N 0.00 0.62 -0.20 6.45 0.02 -0.47 -0.07 113.55 119.91 2k1s h SER 93 Ca -0.00 -0.69 0.02 0.00 -0.84 0.00 0.00 61.79 60.28 2k1s h SER 93 Cb 0.68 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2k1s h SER 93 CO 0.00 1.22 0.08 0.58 -1.14 0.00 0.00 176.83 177.58 2k1s h VAL 94 N 0.08 0.97 -0.98 2.27 2.07 -0.63 -2.21 116.25 117.82 2k1s h VAL 94 Ca -0.06 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2k1s h VAL 94 Cb 1.26 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2k1s h VAL 94 CO 0.12 0.03 0.65 0.00 0.02 0.00 0.00 177.57 178.39 2k1s h ALA 95 N 1.11 1.32 -0.73 1.67 0.00 -1.14 -2.12 119.26 119.37 2k1s h ALA 95 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 95 Cb 0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2k1s h ALA 95 CO -0.07 0.61 0.48 1.03 0.00 0.00 0.00 179.25 181.30 2k1s h SER 96 N 1.30 0.78 -0.24 0.00 0.87 -0.44 0.34 113.55 116.16 2k1s h SER 96 Ca 0.37 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 2k1s h SER 96 Cb -0.10 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2k1s h SER 96 CO -0.09 0.55 0.01 0.00 -0.53 0.00 0.00 176.83 176.76 2k1s h ALA 97 N 1.57 0.32 -0.16 6.23 0.00 -0.82 -0.62 119.26 125.78 2k1s h ALA 97 Ca 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k1s h ALA 97 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k1s h ALA 97 CO -0.08 0.04 0.10 -0.07 0.00 0.00 0.00 179.25 179.24 2k1s h LEU 98 N 0.20 0.20 -0.91 0.00 4.07 -0.91 -2.06 115.31 115.89 2k1s h LEU 98 Ca 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2k1s h LEU 98 Cb 0.40 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 2k1s h LEU 98 CO 0.01 0.20 0.50 0.40 -1.08 0.00 0.00 178.44 178.48 2k1s h ILE 99 N 0.18 1.26 0.00 1.22 2.04 -0.32 -1.37 117.51 120.53 2k1s h ILE 99 Ca 0.06 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2k1s h ILE 99 Cb 0.04 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2k1s h ILE 99 CO -0.01 0.29 -0.17 0.74 0.00 0.00 0.00 178.15 179.01 2k1s h THR 100 N 1.28 0.92 0.00 -0.27 2.02 -0.88 0.01 112.91 115.98 2k1s h THR 100 Ca 0.32 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2k1s h THR 100 Cb 0.02 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2k1s h THR 100 CO -0.05 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2k1s n GLN 101 N -4.05 0.07 -0.15 6.66 1.13 -0.54 -4.91 117.38 115.58 2k1s n GLN 101 Ca -0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2k1s n GLN 101 Cb 0.25 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k1s n GLY 102 N 1.32 0.69 3.34 1.08 0.00 -0.01 -5.09 105.19 106.51 2k1s n GLY 102 Ca 0.08 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N -1.60 2.32 -0.00 1.61 1.01 -1.11 -5.00 120.40 117.64 2k1s s VAL 103 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2k1s s VAL 103 Cb 0.00 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 2k1s s VAL 103 CO 0.00 0.58 1.99 0.47 0.00 0.00 0.00 175.10 178.14 2k1s n ASP 104 N 2.63 4.01 0.29 3.32 8.00 -1.26 -4.49 116.55 129.05 2k1s n ASP 104 Ca -0.17 0.84 0.18 0.00 0.71 0.00 0.00 54.79 56.36 2k1s n ASP 104 Cb 0.52 -1.51 0.80 0.00 -0.02 0.00 0.00 41.12 40.90 2k1s n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1s h ALA 105 N 10.90 1.00 0.00 2.24 0.00 -1.97 -1.55 119.26 129.89 2k1s h ALA 105 Ca -0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2k1s h ALA 105 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k1s h ALA 105 CO 0.94 0.00 -0.05 0.77 0.00 0.00 0.00 179.25 180.91 2k1s h SER 106 N 0.00 0.00 -0.24 0.00 0.02 -2.03 -0.89 113.55 110.41 2k1s h SER 106 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1s h SER 106 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2k1s h SER 106 CO 0.00 0.05 0.00 0.54 -1.14 0.00 0.00 176.83 176.28 2k1s n ARG 107 N -3.40 2.41 -3.78 3.45 1.74 -0.58 -4.86 116.66 111.63 2k1s n ARG 107 Ca -0.02 -2.10 -0.36 0.00 -0.77 0.00 0.00 57.85 54.60 2k1s n ARG 107 Cb 0.19 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k1s s ILE 108 N -1.71 4.05 -0.31 0.55 -1.09 -0.34 -0.57 121.20 121.77 2k1s s ILE 108 Ca 0.34 -0.37 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2k1s s ILE 108 Cb 0.22 -2.94 0.07 0.00 -1.58 0.00 0.00 42.46 38.23 2k1s s ILE 108 CO 0.31 0.29 0.01 -0.60 -1.23 0.00 0.00 174.94 173.72 2k1s s ARG 109 N 1.56 2.22 -0.37 2.79 6.06 -0.10 -4.95 118.95 126.17 2k1s s ARG 109 Ca 0.05 -1.43 -0.12 0.00 -2.50 0.00 0.00 55.73 51.73 2k1s s ARG 109 Cb -0.15 -3.19 0.01 0.00 0.06 0.00 0.00 34.95 31.68 2k1s s ARG 109 CO 0.02 -0.71 0.23 0.95 -2.50 0.00 0.00 175.30 173.29 2k1s s THR 110 N 1.17 4.93 -0.23 4.11 -4.23 -1.26 0.08 115.64 120.22 2k1s s THR 110 Ca -0.02 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2k1s s THR 110 Cb -0.20 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.02 2k1s s THR 110 CO -0.03 -0.16 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.70 2k1s s GLN 111 N 1.64 1.97 -1.17 3.99 -0.21 0.04 -4.95 119.66 120.96 2k1s s GLN 111 Ca 0.04 -1.04 -0.09 0.00 0.02 0.00 0.00 55.36 54.30 2k1s s GLN 111 Cb -0.18 -2.62 0.23 0.00 1.00 0.00 0.00 33.01 31.44 2k1s s GLN 111 CO 0.08 -0.52 1.50 0.41 -2.12 0.00 0.00 175.29 174.65 2k1s n GLY 112 N 4.61 4.46 0.20 3.09 0.00 -1.26 -0.80 105.19 115.49 2k1s n GLY 112 Ca -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 46.02 43.51 2k1s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k1s h LEU 113 N 7.31 0.28 0.00 0.99 3.38 -1.85 -3.41 115.31 122.01 2k1s h LEU 113 Ca 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k1s h LEU 113 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k1s h LEU 113 CO 1.33 0.64 0.00 0.61 0.09 0.00 0.00 178.44 181.11 2k1s n GLY 114 N -0.25 0.96 3.57 0.83 0.00 -0.99 -4.71 105.19 104.60 2k1s n GLY 114 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2k1s n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k1s s PRO 115 N 0.00 2.77 0.04 1.61 0.02 -1.20 -0.50 135.00 137.74 2k1s s PRO 115 Ca 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 61.00 60.23 2k1s s PRO 115 Cb 0.00 -5.17 0.01 0.00 0.02 0.00 0.00 34.50 29.36 2k1s s PRO 115 CO 0.00 -3.28 0.21 0.00 -0.33 0.00 0.00 177.00 173.60 2k1s s ALA 116 N 9.24 -0.39 -1.19 -1.55 0.00 -1.26 -4.97 121.76 121.64 2k1s s ALA 116 Ca 0.65 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.14 2k1s s ALA 116 Cb -0.04 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2k1s s ALA 116 CO 0.01 -0.37 0.72 0.09 0.00 0.00 0.00 175.76 176.21 2k1s n ASN 117 N 0.65 -4.42 -4.71 0.00 3.02 -1.26 -4.81 115.26 103.73 2k1s n ASN 117 Ca -0.19 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 52.86 2k1s n ASN 117 Cb 0.59 -2.94 -0.03 0.00 -0.61 0.00 0.00 39.78 36.79 2k1s n ASN 117 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2k1s s PRO 118 N -6.39 4.56 0.01 3.52 0.02 -1.26 -4.93 135.00 130.54 2k1s s PRO 118 Ca 0.42 1.46 0.22 0.00 0.02 0.00 0.00 61.00 63.12 2k1s s PRO 118 Cb -0.17 -3.44 -0.21 0.00 0.02 0.00 0.00 34.50 30.70 2k1s s PRO 118 CO 0.89 -0.04 0.72 0.44 -0.33 0.00 0.00 177.00 178.68 2k1s n ILE 119 N 3.76 0.09 -4.32 2.83 -5.35 -1.26 -4.97 119.36 110.15 2k1s n ILE 119 Ca 0.06 -0.36 -0.17 0.00 -0.27 0.00 0.00 62.75 62.01 2k1s n ILE 119 Cb 0.50 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 2k1s n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k1s s ALA 120 N -3.35 1.80 0.15 -1.28 0.00 -1.26 -5.11 121.76 112.71 2k1s s ALA 120 Ca -0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 51.96 49.91 2k1s s ALA 120 Cb 0.14 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 23.48 2k1s s ALA 120 CO 0.87 -0.17 1.55 -1.12 0.00 0.00 0.00 175.76 176.88 2k1s s SER 121 N -3.29 6.62 0.00 0.00 0.01 -1.26 -4.81 113.70 110.97 2k1s s SER 121 Ca 0.25 2.56 0.30 0.00 1.31 0.00 0.00 55.95 60.38 2k1s s SER 121 Cb 0.04 -2.59 1.52 0.00 0.21 0.00 0.00 66.02 65.20 2k1s s SER 121 CO 0.07 -0.80 2.01 0.59 0.41 0.00 0.00 173.24 175.51 2k1s n ASN 122 N 4.08 0.67 0.14 2.44 3.02 -1.26 -3.25 115.26 121.10 2k1s n ASN 122 Ca 0.14 -1.23 0.01 0.00 -0.03 0.00 0.00 54.58 53.47 2k1s n ASN 122 Cb 0.39 -0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.66 2k1s n ASN 122 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k1s h SER 123 N 1.05 0.00 -2.31 6.41 0.02 -1.97 -3.45 113.55 113.31 2k1s h SER 123 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2k1s h SER 123 Cb 0.22 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.66 2k1s h SER 123 CO 0.00 0.58 -0.65 0.42 -1.14 0.00 0.00 176.83 176.03 2k1s s THR 124 N -3.16 3.43 0.25 -2.27 -4.23 -1.20 -5.04 115.64 103.42 2k1s s THR 124 Ca 0.02 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2k1s s THR 124 Cb 0.09 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 71.15 2k1s s THR 124 CO 0.74 -0.34 1.66 0.00 -0.54 0.00 0.00 174.62 176.14 2k1s h ALA 125 N 2.03 0.98 -0.54 3.99 0.00 -1.89 -2.64 119.26 121.19 2k1s h ALA 125 Ca -0.45 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 2k1s h ALA 125 Cb 1.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k1s h ALA 125 CO 0.60 0.61 0.10 1.05 0.00 0.00 0.00 179.25 181.60 2k1s h GLU 126 N 0.41 0.89 -0.69 0.00 4.11 -1.96 -1.77 114.58 115.56 2k1s h GLU 126 Ca 0.05 -0.24 -0.06 0.00 0.07 0.00 0.00 59.36 59.18 2k1s h GLU 126 Cb 0.80 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2k1s h GLU 126 CO 0.06 0.86 0.19 0.78 0.07 0.00 0.00 179.01 180.97 2k1s h GLY 127 N 0.78 1.18 0.91 1.06 0.00 -1.55 -1.40 103.07 104.04 2k1s h GLY 127 Ca 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.79 2k1s h GLY 127 CO 0.01 0.67 0.19 0.50 0.00 0.00 0.00 176.54 177.91 2k1s h LYS 128 N 1.03 0.38 -0.25 4.80 1.57 -1.25 0.77 116.57 123.62 2k1s h LYS 128 Ca 0.22 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2k1s h LYS 128 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2k1s h LYS 128 CO -0.00 0.25 -0.17 0.00 -0.57 0.00 0.00 179.45 178.96 2k1s h ALA 129 N 1.15 1.25 -0.01 3.86 0.00 -1.03 -0.93 119.26 123.54 2k1s h ALA 129 Ca 0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 2k1s h ALA 129 Cb 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k1s h ALA 129 CO -0.07 0.49 -0.94 1.96 0.00 0.00 0.00 179.25 180.69 2k1s h GLN 130 N 0.40 0.65 0.00 0.00 4.20 -0.93 -3.24 115.11 116.20 2k1s h GLN 130 Ca 0.07 -0.69 -0.08 0.00 0.06 0.00 0.00 58.65 58.01 2k1s h GLN 130 Cb 0.53 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2k1s h GLN 130 CO 0.03 1.28 -0.38 -0.91 -0.67 0.00 0.00 178.83 178.19 2k1s h ASN 131 N 0.31 0.00 -2.66 1.46 2.35 -0.64 -3.39 115.58 113.01 2k1s h ASN 131 Ca -0.12 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.06 2k1s h ASN 131 Cb 1.61 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.95 2k1s h ASN 131 CO 0.19 0.38 1.27 -0.13 -1.65 0.00 0.00 177.43 177.48 2k1s s ARG 132 N -4.03 3.32 0.13 0.81 0.52 -0.37 -3.69 118.95 115.64 2k1s s ARG 132 Ca -0.02 1.39 -0.25 0.00 -0.52 0.00 0.00 55.73 56.33 2k1s s ARG 132 Cb 0.14 -4.20 0.08 0.00 0.52 0.00 0.00 34.95 31.48 2k1s s ARG 132 CO 0.71 -1.87 1.03 -0.98 0.02 0.00 0.00 175.30 174.21 2k1s s ARG 133 N 5.68 1.08 -0.20 3.54 1.70 -0.39 -4.13 118.95 126.22 2k1s s ARG 133 Ca 0.79 -0.62 0.01 0.00 -0.47 0.00 0.00 55.73 55.44 2k1s s ARG 133 Cb -0.22 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2k1s s ARG 133 CO 0.33 -0.50 -0.16 0.08 -1.08 0.00 0.00 175.30 173.97 2k1s s VAL 134 N -2.93 2.20 -0.39 4.99 1.01 -0.31 -0.99 120.40 123.97 2k1s s VAL 134 Ca 0.14 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2k1s s VAL 134 Cb -0.01 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.43 2k1s s VAL 134 CO 0.02 0.40 0.20 -0.70 0.00 0.00 0.00 175.10 175.01 2k1s s GLU 135 N 1.26 2.46 -0.57 2.72 2.12 0.66 -0.92 118.70 126.43 2k1s s GLU 135 Ca 0.02 -1.48 -0.23 0.00 0.36 0.00 0.00 54.97 53.64 2k1s s GLU 135 Cb -0.15 -3.63 0.05 0.00 0.26 0.00 0.00 34.13 30.66 2k1s s GLU 135 CO -0.10 -0.91 0.92 0.42 -0.54 0.00 0.00 175.26 175.05 2k1s s ILE 136 N 1.34 4.42 -0.46 -3.70 1.01 -0.13 -1.67 121.20 122.02 2k1s s ILE 136 Ca 0.03 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 2k1s s ILE 136 Cb -0.22 -4.55 0.03 0.00 0.01 0.00 0.00 42.46 37.73 2k1s s ILE 136 CO 0.00 -1.17 0.70 -0.89 0.00 0.00 0.00 174.94 173.58 2k1s s THR 137 N 3.85 4.75 -0.68 2.92 2.01 0.60 -0.56 115.64 128.52 2k1s s THR 137 Ca 0.27 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 2k1s s THR 137 Cb -0.14 -4.28 0.05 0.00 0.01 0.00 0.00 72.50 68.14 2k1s s THR 137 CO 0.16 -0.71 1.12 -0.76 -0.69 0.00 0.00 174.62 173.74 2k1s s LEU 138 N 3.01 3.75 -0.20 4.42 1.43 0.53 -1.09 118.68 130.53 2k1s s LEU 138 Ca 0.24 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 2k1s s LEU 138 Cb -0.14 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2k1s s LEU 138 CO 0.19 -1.60 0.45 -0.44 0.23 0.00 0.00 176.35 175.18 2k1s s SER 139 N 3.59 6.48 0.17 2.29 0.01 -0.08 -2.37 113.70 123.80 2k1s s SER 139 Ca 0.30 0.57 -0.32 0.00 1.31 0.00 0.00 55.95 57.82 2k1s s SER 139 Cb -0.12 -2.26 -0.11 0.00 0.21 0.00 0.00 66.02 63.74 2k1s s SER 139 CO 0.14 -0.13 1.77 -2.16 0.41 0.00 0.00 173.24 173.27 2k1s s PRO 140 N 1.51 4.13 -0.75 12.44 0.04 -1.26 0.51 135.00 151.61 2k1s s PRO 140 Ca 0.21 2.61 -0.25 0.00 0.04 0.00 0.00 61.00 63.62 2k1s s PRO 140 Cb -0.15 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.15 2k1s s PRO 140 CO 0.09 -0.79 1.18 -0.51 0.04 0.00 0.00 177.00 177.00 2k1s s LEU 141 N 1.83 3.75 0.00 -3.56 1.43 0.12 -4.79 118.68 117.46 2k1s s LEU 141 Ca 0.78 -0.84 0.30 0.00 -1.03 0.00 0.00 54.13 53.34 2k1s s LEU 141 Cb -0.48 -2.50 1.53 0.00 0.03 0.00 0.00 46.19 44.76 2k1s s LEU 141 CO 0.34 -1.62 2.03 0.18 0.23 0.00 0.00 176.35 177.52 2k1s n LEU 142 N 8.56 0.21 -2.30 1.79 7.99 -1.26 -4.93 117.00 127.06 2k1s n LEU 142 Ca 0.05 0.08 -0.04 0.00 -0.01 0.00 0.00 56.01 56.09 2k1s n LEU 142 Cb 0.48 -0.16 -0.03 0.00 -0.11 0.00 0.00 43.42 43.60 2k1s n LEU 142 CO 0.67 0.04 -0.49 -0.62 -1.51 0.00 0.00 177.39 175.47 2k1s n GLU 143 N -1.04 -3.35 -0.08 3.23 -0.58 -1.26 -4.92 120.64 112.64 2k1s n GLU 143 Ca 0.17 2.66 0.11 0.00 -0.42 0.00 0.00 57.16 59.68 2k1s n GLU 143 Cb 0.22 -4.00 0.35 0.00 -0.57 0.00 0.00 31.44 27.44 2k1s n GLU 143 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2k1s n HIS 144 N 1.21 0.22 -4.07 -0.32 -0.00 -1.26 -4.82 115.22 106.17 2k1s n HIS 144 Ca -0.30 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.72 57.18 2k1s n HIS 144 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.34 2k1s n HIS 144 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k1s s HIS 145 N -1.78 0.71 -0.56 1.57 -3.43 -1.26 -5.11 115.29 105.43 2k1s s HIS 145 Ca 0.34 -0.52 -0.20 0.00 -0.80 0.00 0.00 55.06 53.88 2k1s s HIS 145 Cb 0.19 -0.42 0.08 0.00 -1.43 0.00 0.00 32.58 30.99 2k1s s HIS 145 CO 0.28 -0.08 0.72 -1.01 -2.00 0.00 0.00 174.74 172.65 2k1s s HIS 146 N -1.51 2.96 0.00 0.38 0.09 -1.26 -4.70 115.29 111.25 2k1s s HIS 146 Ca -0.08 -0.67 0.00 0.00 -0.00 0.00 0.00 55.06 54.31 2k1s s HIS 146 Cb -0.09 -3.85 0.00 0.00 -0.00 0.00 0.00 32.58 28.64 2k1s s HIS 146 CO 0.00 -1.23 0.25 1.58 -0.00 0.00 0.00 174.74 175.34 2k1s n HIS 147 N 6.51 0.00 -2.57 1.40 -0.00 -1.26 -4.99 115.22 114.31 2k1s n HIS 147 Ca -0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.22 2k1s n HIS 147 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.41 2k1s n HIS 147 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k1s s HIS 148 N -0.24 2.71 0.00 1.57 2.46 -1.26 -5.29 115.29 115.24 2k1s s HIS 148 Ca 0.00 0.62 0.00 0.00 0.47 0.00 0.00 55.06 56.15 2k1s s HIS 148 Cb 0.00 -4.46 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 2k1s s HIS 148 CO 0.00 -1.43 0.42 1.58 -2.47 0.00 0.00 174.74 172.83