#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyo s HIS 3 N 0.00 0.23 0.00 0.66 3.76 -1.11 -5.03 115.29 113.79 3kyo s HIS 3 Ca 0.00 -0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 54.35 3kyo s HIS 3 Cb 0.00 -0.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.52 3kyo s HIS 3 CO 0.00 -0.32 0.07 -1.54 -0.85 0.00 0.00 174.74 172.10 3kyo s SER 4 N -1.95 0.08 -0.04 1.40 1.04 -1.26 -0.01 113.70 112.95 3kyo s SER 4 Ca -0.08 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.18 3kyo s SER 4 Cb -0.03 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 3kyo s SER 4 CO -0.03 -0.28 -0.25 -0.32 0.98 0.00 0.00 173.24 173.33 3kyo s MET 5 N -1.14 2.40 -0.00 4.02 1.75 -0.01 -0.77 119.30 125.54 3kyo s MET 5 Ca -0.12 -0.91 0.01 0.00 -1.25 0.00 0.00 55.69 53.41 3kyo s MET 5 Cb -0.07 -2.12 0.00 0.00 2.84 0.00 0.00 34.83 35.47 3kyo s MET 5 CO 0.00 0.45 -0.02 1.03 -0.65 0.00 0.00 175.02 175.82 3kyo s ARG 6 N -0.32 0.22 0.07 4.11 1.81 -0.68 -1.05 118.95 123.11 3kyo s ARG 6 Ca 0.01 -0.08 0.06 0.00 -1.72 0.00 0.00 55.73 54.00 3kyo s ARG 6 Cb -0.12 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.11 3kyo s ARG 6 CO 0.02 0.04 -0.10 0.71 -0.68 0.00 0.00 175.30 175.30 3kyo s TYR 7 N 0.02 2.77 0.07 -0.53 1.51 -0.04 -0.41 117.35 120.73 3kyo s TYR 7 Ca 0.00 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 3kyo s TYR 7 Cb -0.02 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3kyo s TYR 7 CO -0.00 0.39 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.70 3kyo s PHE 8 N -1.13 0.74 0.05 2.71 0.40 0.10 -1.38 117.98 119.47 3kyo s PHE 8 Ca 0.20 -0.71 -0.15 0.00 -0.60 0.00 0.00 56.93 55.67 3kyo s PHE 8 Cb -0.11 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.00 3kyo s PHE 8 CO 0.11 -0.13 0.34 -1.54 0.70 0.00 0.00 175.22 174.71 3kyo s SER 9 N -2.26 -0.18 -0.02 1.36 1.04 -0.50 -1.20 113.70 111.94 3kyo s SER 9 Ca -0.00 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.28 3kyo s SER 9 Cb -0.03 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.51 3kyo s SER 9 CO -0.02 -0.65 0.04 0.00 0.98 0.00 0.00 173.24 173.59 3kyo s ALA 10 N -2.62 0.01 -0.16 5.32 0.00 -0.27 -1.18 121.76 122.86 3kyo s ALA 10 Ca -0.04 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.25 3kyo s ALA 10 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3kyo s ALA 10 CO -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 175.76 175.45 3kyo s ALA 11 N 0.94 2.42 -0.23 0.00 0.00 0.25 -1.42 121.76 123.72 3kyo s ALA 11 Ca -0.08 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3kyo s ALA 11 Cb -0.11 -1.20 0.06 0.00 0.00 0.00 0.00 23.12 21.87 3kyo s ALA 11 CO -0.03 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.60 3kyo s VAL 12 N 0.99 1.55 0.53 0.00 1.01 0.18 -0.68 120.40 123.98 3kyo s VAL 12 Ca -0.02 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 3kyo s VAL 12 Cb -0.15 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3kyo s VAL 12 CO -0.04 -0.04 1.03 -0.94 0.00 0.00 0.00 175.10 175.11 3kyo s SER 13 N 1.40 6.21 -0.38 3.32 1.04 -0.16 -1.08 113.70 124.05 3kyo s SER 13 Ca -0.05 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.18 3kyo s SER 13 Cb -0.18 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.55 3kyo s SER 13 CO -0.07 -0.87 0.25 0.00 0.98 0.00 0.00 173.24 173.53 3kyo s ARG 14 N -3.77 0.77 0.11 4.02 1.70 -1.26 -4.21 118.95 116.30 3kyo s ARG 14 Ca 0.63 -1.63 -0.36 0.00 -0.47 0.00 0.00 55.73 53.91 3kyo s ARG 14 Cb -0.14 -1.52 -0.16 0.00 -0.57 0.00 0.00 34.95 32.57 3kyo s ARG 14 CO 0.29 -1.24 1.44 -2.30 -1.08 0.00 0.00 175.30 172.41 3kyo n PRO 15 N 3.68 1.54 -0.77 3.89 -0.02 -1.26 -0.73 135.00 141.33 3kyo n PRO 15 Ca 0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3kyo n PRO 15 Cb 0.39 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3kyo n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kyo n GLY 16 N 2.91 0.26 1.66 -1.23 0.00 -1.26 -4.84 105.19 102.68 3kyo n GLY 16 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 3kyo n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyo n ARG 17 N -1.41 3.03 0.00 1.61 1.74 0.09 -5.09 116.66 116.64 3kyo n ARG 17 Ca 0.00 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 3kyo n ARG 17 Cb 0.12 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3kyo n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kyo n GLY 18 N -0.83 -1.82 3.85 -0.13 0.00 -1.25 -4.93 105.19 100.07 3kyo n GLY 18 Ca 0.38 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3kyo n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kyo s GLU 19 N 0.00 3.42 0.42 1.61 -1.05 -1.26 -4.54 118.70 117.30 3kyo s GLU 19 Ca 0.00 0.86 -0.24 0.00 -0.15 0.00 0.00 54.97 55.43 3kyo s GLU 19 Cb 0.00 -2.06 -0.11 0.00 -0.44 0.00 0.00 34.13 31.53 3kyo s GLU 19 CO 0.00 -0.71 1.00 -2.30 0.95 0.00 0.00 175.26 174.20 3kyo n PRO 20 N -2.71 1.32 -2.46 -4.83 -0.02 -1.26 -4.70 135.00 120.34 3kyo n PRO 20 Ca 0.07 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 3kyo n PRO 20 Cb 0.54 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 3kyo n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kyo s ARG 21 N -2.00 4.58 -0.08 -0.52 3.52 -0.24 -4.81 118.95 119.40 3kyo s ARG 21 Ca 0.63 1.80 0.01 0.00 -0.13 0.00 0.00 55.73 58.04 3kyo s ARG 21 Cb -0.56 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3kyo s ARG 21 CO 0.57 0.16 -0.08 0.12 -0.81 0.00 0.00 175.30 175.25 3kyo s PHE 22 N -1.20 1.29 0.11 5.12 5.36 -1.26 -0.65 117.98 126.75 3kyo s PHE 22 Ca 0.46 -0.54 0.11 0.00 -0.96 0.00 0.00 56.93 56.00 3kyo s PHE 22 Cb -0.32 -1.05 -0.04 0.00 -0.34 0.00 0.00 43.02 41.28 3kyo s PHE 22 CO 0.41 -0.36 -0.27 0.96 -1.46 0.00 0.00 175.22 174.50 3kyo s ILE 23 N 1.22 2.24 -0.08 3.12 -4.36 -0.51 -0.43 121.20 122.41 3kyo s ILE 23 Ca -0.05 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 58.61 3kyo s ILE 23 Cb -0.14 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.63 3kyo s ILE 23 CO -0.02 0.16 0.22 0.00 0.24 0.00 0.00 174.94 175.53 3kyo s ALA 24 N -1.00 -0.53 0.04 2.27 0.00 -0.70 -1.11 121.76 120.73 3kyo s ALA 24 Ca 0.14 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3kyo s ALA 24 Cb -0.10 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.70 3kyo s ALA 24 CO 0.05 -0.10 0.38 0.00 0.00 0.00 0.00 175.76 176.09 3kyo s MET 25 N 0.12 0.89 0.08 0.00 0.23 -0.34 -0.18 119.30 120.10 3kyo s MET 25 Ca -0.00 -0.39 0.08 0.00 -1.03 0.00 0.00 55.69 54.35 3kyo s MET 25 Cb -0.02 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 3kyo s MET 25 CO 0.00 -0.30 -0.22 0.20 -2.03 0.00 0.00 175.02 172.67 3kyo s GLY 26 N -2.01 1.25 0.03 3.16 0.00 -0.51 -0.72 107.32 108.53 3kyo s GLY 26 Ca -0.05 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.50 3kyo s GLY 26 CO -0.02 -1.18 -0.13 -0.19 0.00 0.00 0.00 173.10 171.57 3kyo s TYR 27 N -1.01 1.13 -0.28 1.90 1.51 0.45 -0.31 117.35 120.75 3kyo s TYR 27 Ca 0.08 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3kyo s TYR 27 Cb -0.10 -0.68 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 3kyo s TYR 27 CO 0.04 0.02 0.03 0.08 -1.11 0.00 0.00 175.55 174.60 3kyo s VAL 28 N -0.79 3.57 0.00 0.71 1.01 -0.44 -1.68 120.40 122.78 3kyo s VAL 28 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3kyo s VAL 28 Cb -0.07 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3kyo s VAL 28 CO 0.01 0.13 0.00 0.47 0.00 0.00 0.00 175.10 175.71 3kyo n ASP 29 N 4.79 0.00 -0.46 3.32 8.00 0.05 -1.39 116.55 130.87 3kyo n ASP 29 Ca -0.15 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.38 3kyo n ASP 29 Cb 0.48 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.67 3kyo n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kyo n ASP 30 N 0.72 1.28 -4.44 -2.24 8.00 -1.26 -4.83 116.55 113.78 3kyo n ASP 30 Ca 0.00 -2.04 -0.39 0.00 0.71 0.00 0.00 54.79 53.08 3kyo n ASP 30 Cb 0.00 -0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.79 3kyo n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kyo s THR 31 N -1.69 4.64 0.28 -3.53 2.01 -0.49 -5.07 115.64 111.79 3kyo s THR 31 Ca 0.14 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 3kyo s THR 31 Cb 0.08 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 3kyo s THR 31 CO 0.09 0.05 1.29 -1.58 -0.69 0.00 0.00 174.62 173.78 3kyo s GLN 32 N 1.62 4.40 0.00 4.92 0.74 -1.26 -1.33 119.66 128.75 3kyo s GLN 32 Ca 0.05 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.57 3kyo s GLN 32 Cb -0.17 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.81 3kyo s GLN 32 CO 0.06 -0.16 0.00 1.97 -0.55 0.00 0.00 175.29 176.61 3kyo n PHE 33 N 1.48 0.00 -3.80 1.67 -1.74 0.57 -4.01 117.46 111.64 3kyo n PHE 33 Ca 0.02 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.79 3kyo n PHE 33 Cb 0.42 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.32 3kyo n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3kyo s VAL 34 N -0.80 0.04 -0.10 1.97 -7.23 -1.20 -0.72 120.40 112.36 3kyo s VAL 34 Ca 0.00 -0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.77 3kyo s VAL 34 Cb 0.00 -0.46 0.03 0.00 0.56 0.00 0.00 36.38 36.51 3kyo s VAL 34 CO 0.00 -0.17 0.26 -0.60 -0.31 0.00 0.00 175.10 174.28 3kyo s ARG 35 N -0.67 0.29 -0.02 4.82 3.52 -0.27 -1.43 118.95 125.20 3kyo s ARG 35 Ca -0.08 0.37 0.06 0.00 -0.13 0.00 0.00 55.73 55.95 3kyo s ARG 35 Cb -0.04 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.46 3kyo s ARG 35 CO 0.02 -0.05 -0.19 0.12 -0.81 0.00 0.00 175.30 174.39 3kyo s PHE 36 N 0.23 1.71 -0.05 5.12 2.19 0.75 -1.15 117.98 126.78 3kyo s PHE 36 Ca -0.01 -0.36 -0.02 0.00 0.33 0.00 0.00 56.93 56.87 3kyo s PHE 36 Cb -0.02 -1.11 0.03 0.00 -1.31 0.00 0.00 43.02 40.61 3kyo s PHE 36 CO -0.00 -0.06 0.09 0.34 1.83 0.00 0.00 175.22 177.41 3kyo s ASP 37 N -0.34 0.83 0.43 6.13 -1.08 -1.26 -1.72 116.67 119.66 3kyo s ASP 37 Ca 0.05 0.15 0.30 0.00 -0.52 0.00 0.00 52.55 52.53 3kyo s ASP 37 Cb -0.08 -0.01 1.47 0.00 -1.46 0.00 0.00 42.92 42.84 3kyo s ASP 37 CO -0.00 -0.23 1.91 0.77 0.52 0.00 0.00 175.17 178.14 3kyo h SER 38 N 8.20 0.00 0.16 -0.34 4.64 -1.14 -1.10 113.55 123.96 3kyo h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3kyo h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3kyo h SER 38 CO 0.21 0.00 -0.05 0.47 -0.87 0.00 0.00 176.83 176.59 3kyo n ASP 39 N -2.60 0.62 -4.80 4.97 8.00 -1.26 -4.84 116.55 116.64 3kyo n ASP 39 Ca -0.01 -0.95 -0.33 0.00 0.71 0.00 0.00 54.79 54.21 3kyo n ASP 39 Cb 0.14 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3kyo n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3kyo s SER 40 N -2.21 5.95 0.20 -2.24 0.01 -0.42 -4.96 113.70 110.03 3kyo s SER 40 Ca 0.37 1.86 -0.11 0.00 1.31 0.00 0.00 55.95 59.38 3kyo s SER 40 Cb 0.21 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 64.12 3kyo s SER 40 CO 0.41 -1.05 1.75 0.00 0.41 0.00 0.00 173.24 174.75 3kyo h ALA 41 N 0.79 0.71 -3.09 1.44 0.00 -1.89 -3.31 119.26 113.92 3kyo h ALA 41 Ca -0.48 0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 3kyo h ALA 41 Cb 1.22 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 3kyo h ALA 41 CO 0.58 -0.19 -0.74 0.45 0.00 0.00 0.00 179.25 179.36 3kyo s SER 42 N -5.40 3.84 0.12 0.00 0.15 -1.26 -5.10 113.70 106.05 3kyo s SER 42 Ca -0.13 -2.35 -0.31 0.00 0.70 0.00 0.00 55.95 53.86 3kyo s SER 42 Cb 0.16 -1.05 -0.10 0.00 -1.71 0.00 0.00 66.02 63.32 3kyo s SER 42 CO 0.74 -0.31 1.78 -2.84 1.20 0.00 0.00 173.24 173.81 3kyo s PRO 43 N 0.69 4.15 0.19 5.44 0.02 -1.25 -4.97 135.00 139.27 3kyo s PRO 43 Ca 0.15 2.54 -0.19 0.00 0.02 0.00 0.00 61.00 63.53 3kyo s PRO 43 Cb -0.22 -3.52 0.04 0.00 0.02 0.00 0.00 34.50 30.81 3kyo s PRO 43 CO -0.06 -0.81 0.54 -0.98 -0.33 0.00 0.00 177.00 175.36 3kyo s ARG 44 N 2.50 1.35 -0.03 5.54 1.70 -1.26 -5.02 118.95 123.73 3kyo s ARG 44 Ca 0.79 -0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 3kyo s ARG 44 Cb -0.45 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 3kyo s ARG 44 CO 0.35 -0.58 1.13 1.41 -1.08 0.00 0.00 175.30 176.53 3kyo s MET 45 N -3.84 4.42 0.17 3.89 -2.45 -1.26 -4.36 119.30 115.86 3kyo s MET 45 Ca 0.07 1.60 0.10 0.00 -1.25 0.00 0.00 55.69 56.21 3kyo s MET 45 Cb -0.01 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 3kyo s MET 45 CO -0.05 -0.31 -0.21 -1.21 1.05 0.00 0.00 175.02 174.28 3kyo s GLU 46 N 1.71 1.38 0.46 4.11 2.02 -0.30 -4.88 118.70 123.20 3kyo s GLU 46 Ca 0.54 -1.44 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 3kyo s GLU 46 Cb -0.24 -1.60 -0.09 0.00 0.10 0.00 0.00 34.13 32.31 3kyo s GLU 46 CO 0.24 0.34 1.03 -1.25 0.02 0.00 0.00 175.26 175.64 3kyo s PRO 47 N -2.65 3.93 0.00 0.39 0.04 -1.26 -1.11 135.00 134.33 3kyo s PRO 47 Ca 0.17 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3kyo s PRO 47 Cb -0.07 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3kyo s PRO 47 CO 0.08 -0.33 0.21 0.54 0.04 0.00 0.00 177.00 177.54 3kyo n ARG 48 N -0.71 -0.26 -4.04 4.56 5.12 0.10 -4.82 116.66 116.62 3kyo n ARG 48 Ca 0.08 -0.21 -0.12 0.00 -1.93 0.00 0.00 57.85 55.67 3kyo n ARG 48 Cb 0.52 -0.69 -0.12 0.00 -1.16 0.00 0.00 32.46 31.00 3kyo n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kyo s ALA 49 N -0.02 0.35 0.36 7.54 0.00 -1.24 -4.71 121.76 124.03 3kyo s ALA 49 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.52 3kyo s ALA 49 Cb 0.00 0.03 0.75 0.00 0.00 0.00 0.00 23.12 23.90 3kyo s ALA 49 CO 0.00 -0.02 1.95 -1.35 0.00 0.00 0.00 175.76 176.33 3kyo h PRO 50 N 5.09 0.73 0.00 0.00 0.11 -1.94 -3.03 132.00 132.96 3kyo h PRO 50 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kyo h PRO 50 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3kyo h PRO 50 CO 0.44 0.48 0.00 -2.67 -0.21 0.00 0.00 178.00 176.05 3kyo n TRP 51 N -4.49 0.87 0.86 0.65 4.27 -1.26 -2.10 117.44 116.25 3kyo n TRP 51 Ca 0.11 0.32 0.12 0.00 -3.89 0.00 0.00 57.50 54.17 3kyo n TRP 51 Cb 0.26 -1.02 0.20 0.00 -1.36 0.00 0.00 31.31 29.38 3kyo n TRP 51 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 3kyo n VAL 52 N -2.28 0.09 0.32 -1.67 3.14 -1.14 -4.20 118.33 112.59 3kyo n VAL 52 Ca 0.03 -0.08 0.15 0.00 -2.96 0.00 0.00 64.34 61.47 3kyo n VAL 52 Cb 0.27 0.18 0.65 0.00 -1.06 0.00 0.00 33.84 33.88 3kyo n VAL 52 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3kyo h GLU 53 N 0.00 0.00 0.00 1.45 5.08 -1.56 -1.84 114.58 117.71 3kyo h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kyo h GLU 53 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kyo h GLU 53 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3kyo n GLN 54 N -2.62 0.19 -2.24 2.33 10.64 -1.26 -4.77 117.38 119.65 3kyo n GLN 54 Ca 0.01 0.37 -0.38 0.00 -1.83 0.00 0.00 57.00 55.16 3kyo n GLN 54 Cb 0.21 -1.83 -0.02 0.00 -0.86 0.00 0.00 30.24 27.75 3kyo n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3kyo s GLU 55 N -3.25 4.03 0.94 2.61 0.41 -0.69 -5.00 118.70 117.75 3kyo s GLU 55 Ca 0.06 1.90 -0.15 0.00 -0.41 0.00 0.00 54.97 56.37 3kyo s GLU 55 Cb 0.10 -2.69 0.20 0.00 -1.78 0.00 0.00 34.13 29.96 3kyo s GLU 55 CO 0.42 -0.36 1.30 0.20 -0.49 0.00 0.00 175.26 176.33 3kyo s GLY 56 N -1.06 1.79 0.38 -1.39 0.00 -1.26 -4.90 107.32 100.87 3kyo s GLY 56 Ca 0.57 -1.28 0.07 0.00 0.00 0.00 0.00 44.72 44.07 3kyo s GLY 56 CO 0.40 -0.52 1.98 -2.55 0.00 0.00 0.00 173.10 172.42 3kyo h PRO 57 N -1.55 0.67 -0.27 2.90 0.11 -1.98 -0.97 132.00 130.92 3kyo h PRO 57 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kyo h PRO 57 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kyo h PRO 57 CO 0.37 0.45 0.11 0.93 -0.21 0.00 0.00 178.00 179.64 3kyo h GLU 58 N 0.69 0.37 0.10 1.05 5.08 -1.98 -0.80 114.58 119.08 3kyo h GLU 58 Ca 0.27 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kyo h GLU 58 Cb 0.21 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3kyo h GLU 58 CO -0.08 0.31 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.27 3kyo h TYR 59 N 0.37 -0.12 -0.38 4.33 3.20 -1.53 -2.27 116.97 120.57 3kyo h TYR 59 Ca 0.09 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3kyo h TYR 59 Cb 0.08 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3kyo h TYR 59 CO 0.00 0.17 -0.20 -1.49 -1.64 0.00 0.00 178.16 175.01 3kyo h TRP 60 N -0.41 0.81 -0.34 -3.82 4.06 -1.33 -0.93 115.95 113.99 3kyo h TRP 60 Ca -0.01 -0.17 -0.11 0.00 2.06 0.00 0.00 58.89 60.65 3kyo h TRP 60 Cb 0.35 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3kyo h TRP 60 CO 0.02 0.86 -0.25 0.93 -3.56 0.00 0.00 178.44 176.44 3kyo h GLU 61 N 0.64 0.68 -0.11 0.49 5.08 -1.18 -0.92 114.58 119.26 3kyo h GLU 61 Ca 0.10 -0.27 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 3kyo h GLU 61 Cb 0.68 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.91 3kyo h GLU 61 CO 0.05 0.86 -0.76 1.49 -1.00 0.00 0.00 179.01 179.65 3kyo h GLU 62 N 0.59 0.70 -0.77 2.33 4.81 -1.02 -1.65 114.58 119.56 3kyo h GLU 62 Ca 0.08 -0.61 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 3kyo h GLU 62 Cb 0.73 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3kyo h GLU 62 CO 0.06 1.22 0.29 0.93 -0.73 0.00 0.00 179.01 180.78 3kyo h GLU 63 N 0.39 1.16 -0.37 1.92 4.39 -1.12 0.01 114.58 120.96 3kyo h GLU 63 Ca -0.07 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 3kyo h GLU 63 Cb 1.40 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3kyo h GLU 63 CO 0.16 0.95 0.05 1.15 -1.16 0.00 0.00 179.01 180.15 3kyo h THR 64 N 1.13 1.24 -0.05 1.13 2.02 -1.14 -1.09 112.91 116.16 3kyo h THR 64 Ca 0.26 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3kyo h THR 64 Cb 0.23 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3kyo h THR 64 CO -0.02 0.30 0.03 -0.09 0.37 0.00 0.00 175.52 176.10 3kyo h ARG 65 N 0.46 0.07 -0.63 6.66 2.43 -0.87 -1.18 114.38 121.32 3kyo h ARG 65 Ca 0.11 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3kyo h ARG 65 Cb 0.38 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3kyo h ARG 65 CO 0.01 0.12 0.02 -0.91 -1.51 0.00 0.00 179.97 177.71 3kyo h ASN 66 N -0.01 1.07 -0.52 -3.80 2.35 -1.02 -2.30 115.58 111.35 3kyo h ASN 66 Ca 0.02 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.37 3kyo h ASN 66 Cb 0.08 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3kyo h ASN 66 CO -0.00 1.10 -0.03 0.74 -1.65 0.00 0.00 177.43 177.59 3kyo h THR 67 N 1.00 1.26 -0.88 2.81 2.02 -1.07 -0.60 112.91 117.46 3kyo h THR 67 Ca 0.18 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 3kyo h THR 67 Cb 0.54 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3kyo h THR 67 CO 0.03 0.41 0.46 0.11 0.37 0.00 0.00 175.52 176.90 3kyo h LYS 68 N 0.89 1.23 -0.31 6.66 1.57 -1.08 0.13 116.57 125.67 3kyo h LYS 68 Ca 0.16 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kyo h LYS 68 Cb 0.57 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3kyo h LYS 68 CO 0.03 0.92 0.18 0.00 -0.57 0.00 0.00 179.45 180.00 3kyo h ALA 69 N 1.27 0.39 -0.42 3.86 0.00 -1.14 -1.45 119.26 121.77 3kyo h ALA 69 Ca 0.31 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3kyo h ALA 69 Cb 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3kyo h ALA 69 CO -0.05 -0.09 0.06 1.25 0.00 0.00 0.00 179.25 180.42 3kyo h HIS 70 N 0.38 0.09 -0.63 0.00 -0.00 -0.72 -1.24 115.15 113.02 3kyo h HIS 70 Ca 0.11 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.57 3kyo h HIS 70 Cb 0.04 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.41 3kyo h HIS 70 CO -0.04 -0.02 0.32 0.00 -0.00 0.00 0.00 177.93 178.20 3kyo h ALA 71 N 1.33 0.84 -0.37 5.26 0.00 -0.34 0.24 119.26 126.23 3kyo h ALA 71 Ca 0.20 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3kyo h ALA 71 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kyo h ALA 71 CO -0.29 -0.03 -0.27 1.96 0.00 0.00 0.00 179.25 180.62 3kyo h GLN 72 N 0.59 0.77 -0.62 0.00 1.08 -0.82 -1.16 115.11 114.94 3kyo h GLN 72 Ca 0.29 -0.33 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 3kyo h GLN 72 Cb 0.24 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3kyo h GLN 72 CO -0.21 0.95 0.06 1.15 -0.95 0.00 0.00 178.83 179.83 3kyo h THR 73 N 0.66 1.26 0.00 -0.54 2.02 -0.84 -2.38 112.91 113.10 3kyo h THR 73 Ca 0.08 -1.08 -0.12 0.00 0.77 0.00 0.00 66.41 66.06 3kyo h THR 73 Cb 0.79 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3kyo h THR 73 CO 0.07 0.40 -0.58 0.44 0.37 0.00 0.00 175.52 176.21 3kyo h ASP 74 N 0.97 0.00 -0.76 4.18 5.19 -0.71 -0.99 116.42 124.30 3kyo h ASP 74 Ca 0.18 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 3kyo h ASP 74 Cb 0.49 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 3kyo h ASP 74 CO 0.02 0.58 0.30 0.03 -3.12 0.00 0.00 179.24 177.06 3kyo h ARG 75 N 0.00 1.14 -0.65 3.56 3.08 -1.08 -1.17 114.38 119.26 3kyo h ARG 75 Ca -0.01 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 3kyo h ARG 75 Cb 1.21 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3kyo h ARG 75 CO 0.08 0.93 0.08 0.52 -1.07 0.00 0.00 179.97 180.51 3kyo h MET 76 N 1.10 1.08 -0.59 0.04 2.86 -1.04 -2.91 114.93 115.46 3kyo h MET 76 Ca 0.25 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3kyo h MET 76 Cb 0.21 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3kyo h MET 76 CO -0.02 1.00 0.32 -0.91 1.06 0.00 0.00 176.91 178.36 3kyo h ASN 77 N 1.01 0.72 -0.56 1.22 2.35 -0.89 -1.19 115.58 118.24 3kyo h ASN 77 Ca 0.20 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kyo h ASN 77 Cb 0.46 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3kyo h ASN 77 CO 0.02 0.59 0.32 -0.07 -1.65 0.00 0.00 177.43 176.63 3kyo h LEU 78 N 0.82 0.72 -0.03 1.61 3.38 -1.03 -1.09 115.31 119.69 3kyo h LEU 78 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kyo h LEU 78 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3kyo h LEU 78 CO -0.03 0.58 -0.02 1.56 0.09 0.00 0.00 178.44 180.62 3kyo h GLN 79 N 0.81 0.06 -0.45 1.13 1.08 -1.27 -2.19 115.11 114.28 3kyo h GLN 79 Ca 0.21 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 3kyo h GLN 79 Cb 0.03 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 3kyo h GLN 79 CO -0.03 0.46 0.04 1.15 -0.95 0.00 0.00 178.83 179.50 3kyo h THR 80 N -0.34 0.69 -0.25 -0.54 2.02 -0.97 -2.15 112.91 111.38 3kyo h THR 80 Ca 0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3kyo h THR 80 Cb 0.45 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3kyo h THR 80 CO 0.00 0.03 -0.16 -0.07 0.37 0.00 0.00 175.52 175.69 3kyo h LEU 81 N 0.16 0.41 -0.71 2.58 3.38 -1.17 0.55 115.31 120.51 3kyo h LEU 81 Ca 0.23 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3kyo h LEU 81 Cb 0.32 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3kyo h LEU 81 CO -0.34 0.60 0.32 0.03 0.09 0.00 0.00 178.44 179.14 3kyo h ARG 82 N 0.39 0.51 -0.40 1.13 3.08 -0.92 -0.60 114.38 117.57 3kyo h ARG 82 Ca 0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3kyo h ARG 82 Cb 0.52 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3kyo h ARG 82 CO 0.03 0.34 0.18 0.78 -1.07 0.00 0.00 179.97 180.23 3kyo h GLY 83 N 0.53 0.63 0.98 0.04 0.00 -0.45 -0.72 103.07 104.09 3kyo h GLY 83 Ca 0.37 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3kyo h GLY 83 CO -0.32 0.31 0.63 -0.97 0.00 0.00 0.00 176.54 176.19 3kyo h TYR 84 N 0.51 1.18 -0.32 5.60 0.05 -0.26 -2.89 116.97 120.84 3kyo h TYR 84 Ca 0.14 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3kyo h TYR 84 Cb 0.16 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.50 3kyo h TYR 84 CO -0.01 0.73 0.00 0.66 -1.05 0.00 0.00 178.16 178.50 3kyo n TYR 85 N -4.44 0.41 -3.47 4.88 4.02 -0.30 -4.95 117.16 113.31 3kyo n TYR 85 Ca 0.11 -0.20 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 3kyo n TYR 85 Cb 0.03 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.42 3kyo n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3kyo n ASN 86 N 1.09 -2.49 -4.65 7.72 3.02 -0.55 -4.99 115.26 114.41 3kyo n ASN 86 Ca 0.18 -0.68 -0.32 0.00 -0.03 0.00 0.00 54.58 53.72 3kyo n ASN 86 Cb 0.51 -4.87 -0.09 0.00 -0.61 0.00 0.00 39.78 34.72 3kyo n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kyo s GLN 87 N -5.39 2.67 0.86 3.52 -0.21 -0.39 -5.05 119.66 115.68 3kyo s GLN 87 Ca 0.07 -0.67 -0.11 0.00 0.02 0.00 0.00 55.36 54.66 3kyo s GLN 87 Cb -0.01 -2.59 0.15 0.00 1.00 0.00 0.00 33.01 31.56 3kyo s GLN 87 CO 0.75 0.61 1.20 -1.54 -2.12 0.00 0.00 175.29 174.19 3kyo s SER 88 N -1.56 3.75 0.00 5.90 1.04 -1.26 -4.70 113.70 116.88 3kyo s SER 88 Ca 0.19 0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.94 3kyo s SER 88 Cb -0.11 -0.48 0.38 0.00 0.10 0.00 0.00 66.02 65.90 3kyo s SER 88 CO 0.10 -2.31 1.26 -0.62 0.98 0.00 0.00 173.24 172.64 3kyo n GLU 89 N -3.42 1.17 0.09 4.02 1.02 -1.26 -4.25 120.64 118.01 3kyo n GLU 89 Ca 0.13 -0.26 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 3kyo n GLU 89 Cb 0.60 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.80 3kyo n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kyo h ALA 90 N 3.32 0.32 -2.58 0.62 0.00 -2.00 -3.44 119.26 115.50 3kyo h ALA 90 Ca 0.00 -0.80 -0.59 0.00 0.00 0.00 0.00 54.91 53.52 3kyo h ALA 90 Cb 0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.73 3kyo h ALA 90 CO 0.00 0.96 -0.68 -1.54 0.00 0.00 0.00 179.25 177.99 3kyo s SER 91 N -7.00 4.40 0.35 0.00 1.04 -1.26 -4.82 113.70 106.40 3kyo s SER 91 Ca -0.03 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 3kyo s SER 91 Cb 0.09 -0.78 -0.10 0.00 0.10 0.00 0.00 66.02 65.33 3kyo s SER 91 CO 0.85 0.05 0.89 -0.55 0.98 0.00 0.00 173.24 175.46 3kyo s SER 92 N -3.26 7.08 0.10 7.02 0.15 -1.26 -4.75 113.70 118.77 3kyo s SER 92 Ca 0.28 1.65 0.02 0.00 0.70 0.00 0.00 55.95 58.61 3kyo s SER 92 Cb -0.08 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 3kyo s SER 92 CO 0.18 -0.17 -0.08 -1.00 1.20 0.00 0.00 173.24 173.36 3kyo s HIS 93 N -1.85 0.94 -0.05 3.44 3.76 -1.26 -4.95 115.29 115.32 3kyo s HIS 93 Ca 0.54 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 3kyo s HIS 93 Cb -0.14 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.03 3kyo s HIS 93 CO 0.19 -0.09 -0.15 0.99 -0.85 0.00 0.00 174.74 174.83 3kyo s THR 94 N -3.12 1.27 -0.14 1.30 2.01 -1.26 -0.99 115.64 114.70 3kyo s THR 94 Ca 0.09 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3kyo s THR 94 Cb 0.02 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.43 3kyo s THR 94 CO -0.03 0.38 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.89 3kyo s LEU 95 N 0.28 1.86 0.13 4.42 2.96 0.14 -1.00 118.68 127.47 3kyo s LEU 95 Ca -0.08 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 3kyo s LEU 95 Cb -0.13 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3kyo s LEU 95 CO 0.03 -0.00 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.80 3kyo s GLN 96 N 1.21 1.86 0.02 1.98 -0.21 0.45 -0.58 119.66 124.38 3kyo s GLN 96 Ca -0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 55.36 54.17 3kyo s GLN 96 Cb -0.14 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 3kyo s GLN 96 CO -0.07 0.47 0.01 -0.46 -2.12 0.00 0.00 175.29 173.12 3kyo s TRP 97 N -1.27 0.26 -0.05 0.91 -0.00 -0.32 -1.00 118.94 117.47 3kyo s TRP 97 Ca 0.20 -0.54 -0.05 0.00 -0.00 0.00 0.00 56.10 55.70 3kyo s TRP 97 Cb -0.10 -0.19 0.01 0.00 -0.00 0.00 0.00 33.47 33.19 3kyo s TRP 97 CO 0.11 -0.25 0.15 1.41 -0.00 0.00 0.00 176.95 178.38 3kyo s MET 98 N -1.89 0.20 0.05 5.86 -2.45 0.18 -1.41 119.30 119.84 3kyo s MET 98 Ca -0.12 0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.51 3kyo s MET 98 Cb -0.06 0.09 -0.03 0.00 1.25 0.00 0.00 34.83 36.08 3kyo s MET 98 CO -0.02 -0.03 -0.09 -1.50 1.05 0.00 0.00 175.02 174.43 3kyo s ILE 99 N -0.03 0.65 0.00 10.11 2.07 -0.48 -1.04 121.20 132.48 3kyo s ILE 99 Ca -0.01 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.11 3kyo s ILE 99 Cb -0.02 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.88 3kyo s ILE 99 CO 0.00 -0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.29 3kyo n GLY 100 N 1.43 -0.22 2.92 1.50 0.00 -0.60 -0.86 105.19 109.36 3kyo n GLY 100 Ca -0.22 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3kyo n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyo s ASP 102 N -0.31 5.32 0.12 0.00 1.01 -0.62 -0.83 116.67 121.36 3kyo s ASP 102 Ca -0.02 0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.42 3kyo s ASP 102 Cb -0.02 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 3kyo s ASP 102 CO -0.00 0.35 0.15 -0.76 0.21 0.00 0.00 175.17 175.12 3kyo s LEU 103 N -0.73 3.96 0.00 1.23 1.02 0.98 -0.82 118.68 124.31 3kyo s LEU 103 Ca 0.12 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.28 3kyo s LEU 103 Cb -0.12 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.51 3kyo s LEU 103 CO 0.02 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.12 3kyo n GLY 104 N -0.02 0.81 2.79 -3.19 0.00 -1.26 -2.75 105.19 101.57 3kyo n GLY 104 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 3kyo n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kyo s SER 105 N 0.67 1.18 -0.29 1.61 1.04 -1.26 -4.54 113.70 112.11 3kyo s SER 105 Ca 0.00 -0.29 -0.24 0.00 0.48 0.00 0.00 55.95 55.91 3kyo s SER 105 Cb 0.00 0.61 0.18 0.00 0.10 0.00 0.00 66.02 66.91 3kyo s SER 105 CO 0.00 -0.34 1.33 -0.62 0.98 0.00 0.00 173.24 174.59 3kyo s ASP 106 N 2.39 -0.14 0.00 7.02 -1.08 -1.26 -5.03 116.67 118.57 3kyo s ASP 106 Ca 0.09 0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 3kyo s ASP 106 Cb -0.15 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.71 3kyo s ASP 106 CO -0.20 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.06 3kyo n GLY 107 N 1.96 3.14 3.82 2.66 0.00 -1.26 -5.02 105.19 110.49 3kyo n GLY 107 Ca -0.12 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 3kyo n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kyo s ARG 108 N 0.00 2.63 -0.19 1.61 0.52 -1.26 -4.94 118.95 117.33 3kyo s ARG 108 Ca 0.00 -1.35 -0.37 0.00 -0.52 0.00 0.00 55.73 53.49 3kyo s ARG 108 Cb 0.00 -2.39 -0.13 0.00 0.52 0.00 0.00 34.95 32.94 3kyo s ARG 108 CO 0.00 0.12 1.86 -0.11 0.02 0.00 0.00 175.30 177.19 3kyo n LEU 109 N -1.30 2.92 0.12 2.53 7.94 -1.26 -4.69 117.00 123.27 3kyo n LEU 109 Ca -0.03 0.96 -0.24 0.00 -1.11 0.00 0.00 56.01 55.60 3kyo n LEU 109 Cb 0.60 -1.27 -0.16 0.00 0.53 0.00 0.00 43.42 43.12 3kyo n LEU 109 CO 0.43 -0.26 -0.34 -0.29 -1.11 0.00 0.00 177.39 175.81 3kyo h ILE 110 N 5.53 1.16 -2.47 1.96 2.10 -1.33 -3.49 117.51 120.97 3kyo h ILE 110 Ca -0.46 -2.63 -0.09 0.00 1.08 0.00 0.00 64.86 62.76 3kyo h ILE 110 Cb 1.29 2.95 -0.24 0.00 -1.09 0.00 0.00 36.82 39.74 3kyo h ILE 110 CO 0.96 0.83 -0.14 -0.60 -1.08 0.00 0.00 178.15 178.12 3kyo s ARG 111 N -2.59 0.57 0.14 2.19 3.52 -1.19 -5.00 118.95 116.58 3kyo s ARG 111 Ca -0.11 0.80 0.06 0.00 -0.13 0.00 0.00 55.73 56.34 3kyo s ARG 111 Cb 0.04 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 3kyo s ARG 111 CO 0.92 -0.10 0.01 0.20 -0.81 0.00 0.00 175.30 175.51 3kyo s GLY 112 N 0.70 1.80 0.01 8.12 0.00 -1.26 -1.58 107.32 115.10 3kyo s GLY 112 Ca -0.03 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.44 3kyo s GLY 112 CO -0.05 -1.25 -0.03 -0.19 0.00 0.00 0.00 173.10 171.58 3kyo s TYR 113 N -1.54 0.28 -0.12 1.90 1.51 -0.38 -4.77 117.35 114.23 3kyo s TYR 113 Ca 0.27 -0.17 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 3kyo s TYR 113 Cb -0.10 -0.18 0.04 0.00 -0.11 0.00 0.00 41.96 41.61 3kyo s TYR 113 CO 0.19 -0.04 0.28 -2.00 -1.11 0.00 0.00 175.55 172.87 3kyo s GLU 114 N -0.45 0.27 -0.05 -0.62 2.12 -1.26 -1.55 118.70 117.16 3kyo s GLU 114 Ca -0.03 0.53 -0.17 0.00 0.36 0.00 0.00 54.97 55.66 3kyo s GLU 114 Cb -0.03 -0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.37 3kyo s GLU 114 CO -0.00 -0.13 0.38 1.03 -0.54 0.00 0.00 175.26 176.01 3kyo s ARG 115 N 0.96 0.68 0.08 4.30 0.52 -0.21 -0.47 118.95 124.81 3kyo s ARG 115 Ca -0.07 0.04 0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3kyo s ARG 115 Cb -0.08 0.31 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 3kyo s ARG 115 CO -0.07 -0.18 -0.24 0.71 0.02 0.00 0.00 175.30 175.55 3kyo s TYR 116 N -0.97 2.10 0.04 -0.53 1.51 0.11 -0.65 117.35 118.96 3kyo s TYR 116 Ca -0.10 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.61 3kyo s TYR 116 Cb -0.04 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3kyo s TYR 116 CO 0.04 0.19 -0.14 0.00 -1.11 0.00 0.00 175.55 174.53 3kyo s ALA 117 N -0.94 1.17 -0.11 3.71 0.00 -0.17 -0.55 121.76 124.87 3kyo s ALA 117 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3kyo s ALA 117 Cb -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3kyo s ALA 117 CO 0.03 0.22 -0.16 -0.47 0.00 0.00 0.00 175.76 175.39 3kyo s TYR 118 N -0.82 2.05 -1.60 0.00 5.04 -0.37 -0.41 117.35 121.24 3kyo s TYR 118 Ca 0.02 -0.96 -0.16 0.00 -2.44 0.00 0.00 57.07 53.53 3kyo s TYR 118 Cb -0.08 -1.46 0.11 0.00 0.35 0.00 0.00 41.96 40.88 3kyo s TYR 118 CO 0.01 -0.48 0.91 -0.25 -1.34 0.00 0.00 175.55 174.40 3kyo n ASP 119 N 4.15 -4.26 0.00 4.32 8.00 -0.17 -2.18 116.55 126.41 3kyo n ASP 119 Ca -0.19 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3kyo n ASP 119 Cb 0.51 -3.46 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 3kyo n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kyo n GLY 120 N -1.58 0.72 3.18 0.44 0.00 -1.26 -5.03 105.19 101.65 3kyo n GLY 120 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3kyo n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyo s LYS 121 N -0.38 1.39 0.14 1.61 1.02 -0.93 -5.11 119.74 117.49 3kyo s LYS 121 Ca 0.00 -0.68 -0.33 0.00 0.02 0.00 0.00 55.97 54.98 3kyo s LYS 121 Cb 0.00 -1.37 -0.17 0.00 -0.52 0.00 0.00 37.83 35.77 3kyo s LYS 121 CO 0.00 0.37 1.04 -0.25 -0.92 0.00 0.00 175.35 175.59 3kyo n ASP 122 N 2.49 0.65 0.02 2.83 8.00 -1.26 -1.23 116.55 128.05 3kyo n ASP 122 Ca -0.15 1.14 -0.01 0.00 0.71 0.00 0.00 54.79 56.48 3kyo n ASP 122 Cb 0.54 -1.11 -0.00 0.00 -0.02 0.00 0.00 41.12 40.52 3kyo n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kyo n TYR 123 N 1.26 0.00 -3.77 1.24 4.19 0.28 -4.71 117.16 115.65 3kyo n TYR 123 Ca 0.16 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.25 3kyo n TYR 123 Cb 0.21 -0.07 -0.13 0.00 0.49 0.00 0.00 39.34 39.84 3kyo n TYR 123 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 3kyo s LEU 124 N -6.55 0.89 0.01 2.98 2.96 -1.11 -1.39 118.68 116.48 3kyo s LEU 124 Ca -0.04 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3kyo s LEU 124 Cb 0.01 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 3kyo s LEU 124 CO 0.06 -0.12 -0.04 0.00 -1.32 0.00 0.00 176.35 174.94 3kyo s ALA 125 N 0.76 0.26 0.05 5.97 0.00 -0.30 -0.71 121.76 127.79 3kyo s ALA 125 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 3kyo s ALA 125 Cb -0.07 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 3kyo s ALA 125 CO -0.04 -0.02 1.15 -1.17 0.00 0.00 0.00 175.76 175.68 3kyo s LEU 126 N -0.77 4.37 0.85 0.00 2.96 0.38 -0.07 118.68 126.40 3kyo s LEU 126 Ca -0.06 1.93 -0.11 0.00 -0.22 0.00 0.00 54.13 55.67 3kyo s LEU 126 Cb -0.05 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.16 3kyo s LEU 126 CO -0.00 -0.43 1.09 0.20 -1.32 0.00 0.00 176.35 175.89 3kyo s ASN 127 N 1.06 3.95 0.54 3.68 0.02 0.11 -4.50 114.94 119.79 3kyo s ASN 127 Ca 0.57 1.50 0.21 0.00 -1.02 0.00 0.00 52.86 54.12 3kyo s ASN 127 Cb -0.28 -2.20 1.46 0.00 0.02 0.00 0.00 41.25 40.25 3kyo s ASN 127 CO 0.29 -2.34 2.18 -0.08 0.02 0.00 0.00 177.10 177.17 3kyo h GLU 128 N -1.34 0.00 0.00 -0.60 4.81 -1.87 -0.12 114.58 115.45 3kyo h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kyo h GLU 128 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3kyo h GLU 128 CO 0.55 0.01 0.07 0.38 -0.73 0.00 0.00 179.01 179.30 3kyo h ASP 129 N 0.00 0.00 -3.39 1.04 3.04 -1.92 -3.45 116.42 111.75 3kyo h ASP 129 Ca -0.00 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.47 3kyo h ASP 129 Cb 0.02 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.29 3kyo h ASP 129 CO 0.00 0.00 -0.40 0.18 -2.04 0.00 0.00 179.24 176.98 3kyo n LEU 130 N -2.42 -1.47 0.00 0.15 4.77 -0.06 -4.76 117.00 113.21 3kyo n LEU 130 Ca -0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kyo n LEU 130 Cb 0.11 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 3kyo n LEU 130 CO 0.11 -0.19 -0.13 0.54 -1.33 0.00 0.00 177.39 176.38 3kyo n ARG 131 N -2.86 1.45 -4.49 3.23 1.74 -1.26 -4.56 116.66 109.91 3kyo n ARG 131 Ca -0.19 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.66 3kyo n ARG 131 Cb 0.64 -0.63 -0.11 0.00 -1.02 0.00 0.00 32.46 31.34 3kyo n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kyo s SER 132 N -1.42 2.80 0.08 0.55 1.04 -1.26 -4.89 113.70 110.61 3kyo s SER 132 Ca 0.00 -1.36 0.09 0.00 0.48 0.00 0.00 55.95 55.15 3kyo s SER 132 Cb 0.00 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 3kyo s SER 132 CO 0.00 -0.54 -0.22 0.26 0.98 0.00 0.00 173.24 173.71 3kyo s TRP 133 N -3.12 1.94 -0.24 5.02 0.52 -1.26 0.05 118.94 121.84 3kyo s TRP 133 Ca 0.36 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 56.02 3kyo s TRP 133 Cb 0.09 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.29 3kyo s TRP 133 CO 0.16 0.19 0.04 0.99 0.02 0.00 0.00 176.95 178.34 3kyo s THR 134 N -1.00 4.01 -0.14 2.01 2.01 0.90 -4.89 115.64 118.54 3kyo s THR 134 Ca 0.09 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 3kyo s THR 134 Cb -0.10 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3kyo s THR 134 CO 0.04 0.35 0.11 0.00 -0.69 0.00 0.00 174.62 174.43 3kyo s ALA 135 N 1.57 3.71 -0.27 7.40 0.00 -1.26 -1.14 121.76 131.76 3kyo s ALA 135 Ca 0.06 -0.68 0.18 0.00 0.00 0.00 0.00 51.96 51.52 3kyo s ALA 135 Cb -0.15 -1.95 0.18 0.00 0.00 0.00 0.00 23.12 21.20 3kyo s ALA 135 CO 0.02 0.46 1.51 0.00 0.00 0.00 0.00 175.76 177.74 3kyo h ALA 136 N 5.60 0.80 -2.79 0.00 0.00 -1.51 -3.46 119.26 117.90 3kyo h ALA 136 Ca -0.49 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 3kyo h ALA 136 Cb 1.20 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kyo h ALA 136 CO 0.63 0.38 0.21 -0.40 0.00 0.00 0.00 179.25 180.08 3kyo n ASP 137 N -3.18 -1.79 0.23 0.00 5.68 -1.26 -5.04 116.55 111.19 3kyo n ASP 137 Ca 0.03 -2.25 0.10 0.00 -0.50 0.00 0.00 54.79 52.17 3kyo n ASP 137 Cb 0.65 2.99 0.52 0.00 -1.14 0.00 0.00 41.12 44.14 3kyo n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3kyo h THR 138 N 1.77 0.57 -0.14 2.12 1.35 -1.99 -0.65 112.91 115.94 3kyo h THR 138 Ca -0.26 -1.01 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 3kyo h THR 138 Cb 0.97 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3kyo h THR 138 CO 0.33 0.20 -0.08 0.00 -0.25 0.00 0.00 175.52 175.73 3kyo h ALA 139 N 1.79 0.19 0.00 6.62 0.00 -1.97 -3.06 119.26 122.84 3kyo h ALA 139 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3kyo h ALA 139 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kyo h ALA 139 CO 0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.13 3kyo h ALA 140 N 0.65 1.73 -0.64 0.00 0.00 -1.76 -1.10 119.26 118.14 3kyo h ALA 140 Ca 0.03 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kyo h ALA 140 Cb 0.55 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3kyo h ALA 140 CO 0.02 0.18 0.43 1.96 0.00 0.00 0.00 179.25 181.83 3kyo h GLN 141 N 0.00 0.66 0.48 0.00 4.20 -1.03 0.68 115.11 120.10 3kyo h GLN 141 Ca -0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3kyo h GLN 141 Cb 0.26 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3kyo h GLN 141 CO 0.02 0.44 -0.23 0.82 -0.67 0.00 0.00 178.83 179.20 3kyo h ILE 142 N 0.68 0.50 -0.96 2.54 1.08 -1.12 -1.84 117.51 118.40 3kyo h ILE 142 Ca 0.27 -0.20 0.13 0.00 -0.39 0.00 0.00 64.86 64.67 3kyo h ILE 142 Cb 0.21 0.59 -0.08 0.00 -3.07 0.00 0.00 36.82 34.47 3kyo h ILE 142 CO -0.08 0.04 0.61 0.28 -0.69 0.00 0.00 178.15 178.30 3kyo h SER 143 N -0.78 0.82 -0.10 1.72 0.02 -1.36 -0.71 113.55 113.17 3kyo h SER 143 Ca -0.07 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3kyo h SER 143 Cb 0.56 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3kyo h SER 143 CO 0.11 0.43 0.06 0.50 -1.14 0.00 0.00 176.83 176.78 3kyo h LYS 144 N 0.88 0.13 -0.80 3.45 3.64 -0.70 -0.58 116.57 122.59 3kyo h LYS 144 Ca 0.48 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.87 3kyo h LYS 144 Cb 0.59 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 3kyo h LYS 144 CO -0.25 0.14 0.53 0.00 -2.27 0.00 0.00 179.45 177.60 3kyo h ARG 145 N 0.09 1.01 -0.43 1.90 2.47 -0.66 0.42 114.38 119.18 3kyo h ARG 145 Ca 0.03 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 3kyo h ARG 145 Cb 0.04 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 3kyo h ARG 145 CO -0.01 0.67 0.02 0.87 0.56 0.00 0.00 179.97 182.09 3kyo h LYS 146 N 1.04 0.75 -0.88 0.04 1.57 -0.74 -1.61 116.57 116.74 3kyo h LYS 146 Ca 0.30 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3kyo h LYS 146 Cb -0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3kyo h LYS 146 CO -0.08 0.81 0.49 0.00 -0.57 0.00 0.00 179.45 180.10 3kyo h GLU 148 N 1.22 -0.36 -0.51 0.00 5.08 -0.75 -1.67 114.58 117.58 3kyo h GLU 148 Ca 0.31 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 3kyo h GLU 148 Cb 0.01 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kyo h GLU 148 CO -0.05 -0.17 0.34 0.00 -1.00 0.00 0.00 179.01 178.13 3kyo h ALA 149 N 0.20 1.87 -0.15 3.43 0.00 -1.14 -1.87 119.26 121.61 3kyo h ALA 149 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kyo h ALA 149 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kyo h ALA 149 CO 0.06 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3kyo n ALA 150 N -2.50 2.52 -3.85 0.00 0.00 -0.77 -4.94 120.51 110.97 3kyo n ALA 150 Ca 0.07 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 3kyo n ALA 150 Cb 0.23 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.63 3kyo n ALA 150 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kyo n ASN 151 N 0.37 -5.03 -0.26 0.00 3.02 -0.70 -4.90 115.26 107.76 3kyo n ASN 151 Ca 0.17 -0.74 -0.07 0.00 -0.03 0.00 0.00 54.58 53.91 3kyo n ASN 151 Cb 0.35 -4.11 0.05 0.00 -0.61 0.00 0.00 39.78 35.47 3kyo n ASN 151 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3kyo h VAL 152 N -2.20 1.26 -0.98 2.41 2.07 -1.57 -3.04 116.25 114.19 3kyo h VAL 152 Ca -0.58 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.05 3kyo h VAL 152 Cb 1.37 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3kyo h VAL 152 CO 0.65 0.36 0.65 0.00 0.02 0.00 0.00 177.57 179.24 3kyo h ALA 153 N 1.11 1.25 -0.54 1.67 0.00 -1.89 0.37 119.26 121.23 3kyo h ALA 153 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kyo h ALA 153 Cb 0.31 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kyo h ALA 153 CO -0.01 0.61 0.22 1.49 0.00 0.00 0.00 179.25 181.57 3kyo h GLU 154 N 1.31 0.80 -0.32 0.00 4.81 -1.78 0.36 114.58 119.76 3kyo h GLU 154 Ca 0.36 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3kyo h GLU 154 Cb -0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3kyo h GLU 154 CO -0.09 0.69 0.15 1.96 -0.73 0.00 0.00 179.01 180.99 3kyo h GLN 155 N 0.73 0.46 -0.33 1.92 4.20 -1.20 -1.91 115.11 118.98 3kyo h GLN 155 Ca 0.18 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 3kyo h GLN 155 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3kyo h GLN 155 CO -0.02 0.43 -0.43 0.00 -0.67 0.00 0.00 178.83 178.14 3kyo h ARG 156 N 0.38 0.85 -0.97 1.46 2.47 -0.64 -2.30 114.38 115.63 3kyo h ARG 156 Ca 0.11 -0.47 0.05 0.00 -1.26 0.00 0.00 59.98 58.41 3kyo h ARG 156 Cb 0.13 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 3kyo h ARG 156 CO -0.01 1.11 0.62 -0.09 0.56 0.00 0.00 179.97 182.16 3kyo h ARG 157 N 0.68 1.14 -0.67 0.04 2.43 -0.23 0.23 114.38 118.00 3kyo h ARG 157 Ca 0.05 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3kyo h ARG 157 Cb 1.02 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3kyo h ARG 157 CO 0.10 0.76 0.20 0.00 -1.51 0.00 0.00 179.97 179.52 3kyo h ALA 158 N 1.42 0.88 -0.07 2.80 0.00 -0.84 -0.61 119.26 122.83 3kyo h ALA 158 Ca 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kyo h ALA 158 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3kyo h ALA 158 CO -0.15 0.57 0.03 -0.92 0.00 0.00 0.00 179.25 178.78 3kyo h TYR 159 N 0.99 0.11 -0.78 0.00 3.20 -0.91 -2.38 116.97 117.20 3kyo h TYR 159 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3kyo h TYR 159 Cb 0.31 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3kyo h TYR 159 CO 0.02 0.24 0.38 -0.07 -1.64 0.00 0.00 178.16 177.09 3kyo h LEU 160 N -0.04 1.01 0.00 2.82 3.38 -0.67 -0.74 115.31 121.07 3kyo h LEU 160 Ca 0.02 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3kyo h LEU 160 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kyo h LEU 160 CO -0.00 0.85 -0.46 -0.33 0.09 0.00 0.00 178.44 178.59 3kyo h GLU 161 N 1.09 0.00 0.00 1.13 5.08 -1.18 -3.33 114.58 117.37 3kyo h GLU 161 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3kyo h GLU 161 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kyo h GLU 161 CO -0.04 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 3kyo n GLY 162 N 1.20 0.01 0.30 -3.84 0.00 -0.89 -4.66 105.19 97.31 3kyo n GLY 162 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3kyo n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kyo h THR 163 N 0.00 0.20 0.00 2.61 2.02 -1.60 -1.07 112.91 115.06 3kyo h THR 163 Ca 0.00 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kyo h THR 163 Cb 0.00 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3kyo h THR 163 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 3kyo h VAL 165 N -0.07 1.27 -0.20 0.00 2.07 -1.57 0.26 116.25 118.01 3kyo h VAL 165 Ca 0.02 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.18 3kyo h VAL 165 Cb 0.10 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3kyo h VAL 165 CO -0.04 0.47 0.06 -0.08 0.02 0.00 0.00 177.57 178.00 3kyo h GLU 166 N 0.82 0.14 0.05 1.57 4.81 -0.92 -1.80 114.58 119.25 3kyo h GLU 166 Ca 0.11 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 3kyo h GLU 166 Cb 0.79 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3kyo h GLU 166 CO 0.07 0.09 -1.06 -1.49 -0.73 0.00 0.00 179.01 175.89 3kyo h TRP 167 N 0.15 0.34 -0.21 0.92 4.06 -0.85 -2.40 115.95 117.95 3kyo h TRP 167 Ca 0.09 -0.23 0.04 0.00 2.06 0.00 0.00 58.89 60.86 3kyo h TRP 167 Cb 0.07 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.17 3kyo h TRP 167 CO -0.13 1.12 -0.05 1.25 -3.56 0.00 0.00 178.44 177.07 3kyo h LEU 168 N 0.08 -0.19 -0.70 -4.49 5.85 -0.79 -0.51 115.31 114.56 3kyo h LEU 168 Ca -0.08 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3kyo h LEU 168 Cb 1.75 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.83 3kyo h LEU 168 CO 0.16 -0.07 0.28 -0.74 -0.34 0.00 0.00 178.44 177.74 3kyo h HIS 169 N 0.01 0.49 -0.33 1.25 2.76 -1.27 -0.72 115.15 117.33 3kyo h HIS 169 Ca 0.10 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3kyo h HIS 169 Cb 0.15 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3kyo h HIS 169 CO -0.22 0.10 0.09 -0.09 -1.30 0.00 0.00 177.93 176.50 3kyo h ARG 170 N 0.45 0.53 -0.42 5.26 2.43 -0.83 -2.13 114.38 119.66 3kyo h ARG 170 Ca 0.37 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3kyo h ARG 170 Cb 0.51 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3kyo h ARG 170 CO -0.36 0.58 -0.12 1.88 -1.51 0.00 0.00 179.97 180.44 3kyo h TYR 171 N 0.38 0.84 -0.60 2.20 0.05 -0.46 0.86 116.97 120.24 3kyo h TYR 171 Ca 0.11 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 3kyo h TYR 171 Cb 0.28 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3kyo h TYR 171 CO 0.01 0.84 0.17 -0.07 -1.05 0.00 0.00 178.16 178.06 3kyo h LEU 172 N 0.69 0.86 0.13 3.88 3.38 -1.06 0.12 115.31 123.31 3kyo h LEU 172 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kyo h LEU 172 Cb 0.60 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kyo h LEU 172 CO 0.04 0.82 -0.06 -0.08 0.09 0.00 0.00 178.44 179.25 3kyo h GLU 173 N 0.89 -0.17 -0.92 1.13 4.57 -0.86 -2.19 114.58 117.03 3kyo h GLU 173 Ca 0.20 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.59 3kyo h GLU 173 Cb 0.29 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.80 3kyo h GLU 173 CO -0.00 0.29 0.48 -0.91 -1.18 0.00 0.00 179.01 177.69 3kyo h ASN 174 N -0.79 0.53 -0.63 1.04 2.35 -0.75 -2.37 115.58 114.95 3kyo h ASN 174 Ca -0.02 0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 55.65 3kyo h ASN 174 Cb 0.54 0.05 -0.12 0.00 0.05 0.00 0.00 38.32 38.84 3kyo h ASN 174 CO 0.03 0.12 0.21 0.61 -1.65 0.00 0.00 177.43 176.75 3kyo n GLY 175 N -1.33 4.00 0.36 2.83 0.00 0.40 -4.74 105.19 106.72 3kyo n GLY 175 Ca 0.22 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.21 3kyo n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kyo h LYS 176 N 2.12 1.04 -0.21 1.61 3.64 -0.83 0.45 116.57 124.38 3kyo h LYS 176 Ca 0.25 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3kyo h LYS 176 Cb 2.15 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 3kyo h LYS 176 CO 0.64 0.69 -0.27 0.93 -2.27 0.00 0.00 179.45 179.17 3kyo h GLU 177 N 1.07 0.41 0.09 1.90 4.39 -1.85 -1.68 114.58 118.91 3kyo h GLU 177 Ca 0.37 -0.15 -0.28 0.00 0.34 0.00 0.00 59.36 59.63 3kyo h GLU 177 Cb 0.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3kyo h GLU 177 CO -0.12 0.65 -1.49 1.98 -1.16 0.00 0.00 179.01 178.86 3kyo h MET 178 N 0.36 0.18 0.00 2.33 4.05 -1.23 -3.38 114.93 117.25 3kyo h MET 178 Ca 0.05 -0.32 -0.23 0.00 -0.28 0.00 0.00 59.70 58.93 3kyo h MET 178 Cb 0.66 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 3kyo h MET 178 CO 0.05 1.15 -1.38 -0.07 0.23 0.00 0.00 176.91 176.89 3kyo h LEU 179 N -0.39 0.00 -3.01 3.39 3.38 -0.25 -3.33 115.31 115.09 3kyo h LEU 179 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3kyo h LEU 179 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3kyo h LEU 179 CO -0.00 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3kyo n GLN 180 N -3.10 3.59 -2.57 1.13 6.02 -0.63 -4.97 117.38 116.83 3kyo n GLN 180 Ca -0.10 -2.80 -0.26 0.00 -0.01 0.00 0.00 57.00 53.83 3kyo n GLN 180 Cb 0.96 -1.86 0.02 0.00 1.02 0.00 0.00 30.24 30.38 3kyo n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kyo s ARG 181 N -1.75 3.08 -0.15 -1.09 3.52 -1.25 -5.03 118.95 116.28 3kyo s ARG 181 Ca 0.50 -0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 56.01 3kyo s ARG 181 Cb 0.32 -2.36 0.05 0.00 -1.56 0.00 0.00 34.95 31.40 3kyo s ARG 181 CO 0.25 -0.50 0.03 0.00 -0.81 0.00 0.00 175.30 174.27 3kyo s ALA 182 N -2.84 0.86 -0.31 6.12 0.00 -1.26 -4.53 121.76 119.80 3kyo s ALA 182 Ca 0.51 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 3kyo s ALA 182 Cb -0.10 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 3kyo s ALA 182 CO 0.43 -0.91 0.15 -0.51 0.00 0.00 0.00 175.76 174.93 3kyo s ASP 183 N 1.92 5.54 0.57 0.00 1.01 -0.50 -4.70 116.67 120.50 3kyo s ASP 183 Ca 0.01 -0.56 -0.19 0.00 0.71 0.00 0.00 52.55 52.53 3kyo s ASP 183 Cb -0.15 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.74 3kyo s ASP 183 CO -0.07 -0.20 1.13 -2.16 0.21 0.00 0.00 175.17 174.08 3kyo s PRO 184 N 1.60 3.22 0.49 8.23 0.04 -1.26 -1.55 135.00 145.77 3kyo s PRO 184 Ca 0.04 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.46 3kyo s PRO 184 Cb -0.17 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3kyo s PRO 184 CO 0.06 -0.95 1.08 -1.25 0.04 0.00 0.00 177.00 175.97 3kyo s PRO 185 N -3.45 3.71 -0.07 0.56 0.04 -1.26 -4.48 135.00 130.05 3kyo s PRO 185 Ca 0.72 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 3kyo s PRO 185 Cb -0.24 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3kyo s PRO 185 CO 0.30 -0.53 0.61 0.15 0.04 0.00 0.00 177.00 177.57 3kyo s LYS 186 N -3.13 4.38 0.12 4.56 1.02 0.29 -4.84 119.74 122.13 3kyo s LYS 186 Ca 0.68 0.71 0.07 0.00 0.02 0.00 0.00 55.97 57.45 3kyo s LYS 186 Cb -0.20 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3kyo s LYS 186 CO 0.24 0.17 -0.18 0.95 -0.92 0.00 0.00 175.35 175.60 3kyo s THR 187 N 0.51 1.58 0.15 2.17 -4.23 -1.26 -1.26 115.64 113.30 3kyo s THR 187 Ca 0.32 -1.62 -0.25 0.00 -1.18 0.00 0.00 61.69 58.97 3kyo s THR 187 Cb -0.17 -1.54 0.06 0.00 1.34 0.00 0.00 72.50 72.19 3kyo s THR 187 CO 0.15 -0.21 0.84 -1.38 -0.54 0.00 0.00 174.62 173.49 3kyo s HIS 188 N -1.55 -0.24 -0.05 3.99 -3.43 -1.03 -4.99 115.29 107.99 3kyo s HIS 188 Ca 0.08 -0.05 0.06 0.00 -0.80 0.00 0.00 55.06 54.35 3kyo s HIS 188 Cb -0.08 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 3kyo s HIS 188 CO 0.04 -0.87 -0.25 0.08 -2.00 0.00 0.00 174.74 171.74 3kyo s VAL 189 N -3.46 2.06 0.21 -5.38 1.01 -1.26 -0.56 120.40 113.01 3kyo s VAL 189 Ca 0.09 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.06 3kyo s VAL 189 Cb -0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3kyo s VAL 189 CO -0.01 0.57 0.14 0.42 0.00 0.00 0.00 175.10 176.22 3kyo s THR 190 N -0.21 4.35 -0.05 3.92 -4.23 0.21 -4.95 115.64 114.69 3kyo s THR 190 Ca -0.02 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3kyo s THR 190 Cb -0.13 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.43 3kyo s THR 190 CO 0.03 -0.23 -0.11 -2.28 -0.54 0.00 0.00 174.62 171.49 3kyo s HIS 191 N -1.95 1.30 -0.03 3.99 5.04 -1.26 -1.46 115.29 120.93 3kyo s HIS 191 Ca 0.31 -0.42 0.00 0.00 -1.54 0.00 0.00 55.06 53.42 3kyo s HIS 191 Cb -0.09 -0.95 0.03 0.00 0.04 0.00 0.00 32.58 31.61 3kyo s HIS 191 CO 0.23 -0.21 0.01 -1.01 -2.34 0.00 0.00 174.74 171.42 3kyo s HIS 192 N 0.48 0.24 0.46 3.88 3.76 -0.48 -4.98 115.29 118.65 3kyo s HIS 192 Ca -0.10 0.03 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 3kyo s HIS 192 Cb -0.13 -0.35 -0.09 0.00 1.11 0.00 0.00 32.58 33.11 3kyo s HIS 192 CO 0.02 -0.11 1.06 -2.30 -0.85 0.00 0.00 174.74 172.56 3kyo n PRO 193 N 4.10 1.38 -4.15 8.40 -0.02 -1.26 -0.22 135.00 143.23 3kyo n PRO 193 Ca -0.27 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 3kyo n PRO 193 Cb 0.51 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 3kyo n PRO 193 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kyo s VAL 194 N -1.32 0.44 0.56 -1.45 -7.23 0.32 -4.76 120.40 106.97 3kyo s VAL 194 Ca 0.66 -1.90 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 3kyo s VAL 194 Cb -0.51 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 3kyo s VAL 194 CO 0.55 -0.79 0.95 -0.36 -0.31 0.00 0.00 175.10 175.13 3kyo s PHE 195 N -3.79 3.59 -0.18 2.82 0.08 -1.26 -2.51 117.98 116.73 3kyo s PHE 195 Ca 0.14 1.16 -0.00 0.00 0.12 0.00 0.00 56.93 58.35 3kyo s PHE 195 Cb 0.07 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 3kyo s PHE 195 CO -0.04 -0.52 0.05 -3.47 -0.10 0.00 0.00 175.22 171.14 3kyo n ASP 196 N -2.45 -1.88 -3.02 1.36 2.03 -1.26 -4.14 116.55 107.20 3kyo n ASP 196 Ca 0.04 -0.02 -0.17 0.00 0.52 0.00 0.00 54.79 55.16 3kyo n ASP 196 Cb 0.54 -0.98 0.07 0.00 -0.72 0.00 0.00 41.12 40.03 3kyo n ASP 196 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3kyo n TYR 197 N -3.55 -2.14 -4.32 -0.67 4.02 -1.24 -4.96 117.16 104.29 3kyo n TYR 197 Ca -0.02 0.81 -0.17 0.00 -0.01 0.00 0.00 57.90 58.51 3kyo n TYR 197 Cb 0.52 -4.40 -0.10 0.00 -0.02 0.00 0.00 39.34 35.34 3kyo n TYR 197 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3kyo s GLU 198 N -5.70 1.33 -0.01 -0.72 2.02 -1.04 -1.16 118.70 113.43 3kyo s GLU 198 Ca 0.29 -1.68 -0.05 0.00 0.02 0.00 0.00 54.97 53.55 3kyo s GLU 198 Cb -0.13 -0.54 -0.00 0.00 0.10 0.00 0.00 34.13 33.56 3kyo s GLU 198 CO 0.60 -0.13 0.10 0.00 0.02 0.00 0.00 175.26 175.84 3kyo s ALA 199 N -3.49 -0.23 -0.17 5.21 0.00 0.30 -0.52 121.76 122.87 3kyo s ALA 199 Ca 0.30 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 3kyo s ALA 199 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3kyo s ALA 199 CO 0.09 -0.16 0.63 0.99 0.00 0.00 0.00 175.76 177.32 3kyo s THR 200 N -1.01 5.04 -0.25 0.00 2.01 0.70 -0.51 115.64 121.62 3kyo s THR 200 Ca -0.11 1.22 -0.07 0.00 0.31 0.00 0.00 61.69 63.04 3kyo s THR 200 Cb -0.06 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kyo s THR 200 CO 0.01 0.15 0.06 -0.76 -0.69 0.00 0.00 174.62 173.39 3kyo s LEU 201 N 1.61 3.44 -0.17 4.42 1.43 -0.08 -1.39 118.68 127.93 3kyo s LEU 201 Ca 0.30 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3kyo s LEU 201 Cb -0.16 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.17 3kyo s LEU 201 CO 0.12 -0.05 -0.16 -0.60 0.23 0.00 0.00 176.35 175.89 3kyo s ARG 202 N 1.59 3.15 -0.26 1.70 3.52 -0.54 -1.24 118.95 126.87 3kyo s ARG 202 Ca 0.06 -0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 54.79 3kyo s ARG 202 Cb -0.15 -2.66 -0.05 0.00 -1.56 0.00 0.00 34.95 30.53 3kyo s ARG 202 CO 0.03 -0.11 0.15 0.00 -0.81 0.00 0.00 175.30 174.56 3kyo s TRP 204 N 1.45 3.27 -0.09 0.00 0.52 0.27 -1.49 118.94 122.86 3kyo s TRP 204 Ca 0.07 0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.45 3kyo s TRP 204 Cb -0.15 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3kyo s TRP 204 CO 0.07 0.54 -0.10 0.00 0.02 0.00 0.00 176.95 177.48 3kyo s ALA 205 N -1.01 1.32 0.02 0.98 0.00 -0.02 -2.46 121.76 120.59 3kyo s ALA 205 Ca 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3kyo s ALA 205 Cb -0.12 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 3kyo s ALA 205 CO 0.06 -0.16 -0.06 -0.51 0.00 0.00 0.00 175.76 175.09 3kyo s LEU 206 N 1.19 2.14 -0.47 0.00 1.43 -0.39 -1.31 118.68 121.27 3kyo s LEU 206 Ca -0.05 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3kyo s LEU 206 Cb -0.14 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.87 3kyo s LEU 206 CO -0.03 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3kyo n GLY 207 N 2.16 0.29 3.87 -3.19 0.00 -0.55 -0.55 105.19 107.22 3kyo n GLY 207 Ca -0.18 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 3kyo n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kyo s PHE 208 N -2.25 3.25 -0.21 1.61 -0.71 -1.07 -4.73 117.98 113.88 3kyo s PHE 208 Ca 0.00 -0.04 -0.16 0.00 -1.04 0.00 0.00 56.93 55.68 3kyo s PHE 208 Cb 0.00 -1.50 0.06 0.00 -1.21 0.00 0.00 43.02 40.37 3kyo s PHE 208 CO 0.00 0.50 0.55 -0.47 -1.34 0.00 0.00 175.22 174.45 3kyo s TYR 209 N -1.98 -0.69 0.73 3.49 6.14 -0.59 -0.75 117.35 123.70 3kyo s TYR 209 Ca 0.33 1.55 -0.12 0.00 0.64 0.00 0.00 57.07 59.47 3kyo s TYR 209 Cb -0.09 0.29 0.17 0.00 0.42 0.00 0.00 41.96 42.75 3kyo s TYR 209 CO 0.26 -0.34 0.99 -0.35 0.64 0.00 0.00 175.55 176.74 3kyo n PRO 210 N 3.36 -0.96 0.21 4.97 -0.04 -1.26 -1.41 135.00 139.87 3kyo n PRO 210 Ca -0.17 -1.53 0.06 0.00 -0.04 0.00 0.00 63.50 61.82 3kyo n PRO 210 Cb 0.56 -1.01 0.45 0.00 -0.04 0.00 0.00 33.50 33.46 3kyo n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kyo h ALA 211 N -1.83 1.21 -2.39 0.55 0.00 -1.98 -3.44 119.26 111.37 3kyo h ALA 211 Ca -0.32 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 3kyo h ALA 211 Cb 0.88 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 18.67 3kyo h ALA 211 CO 0.23 0.38 1.00 0.39 0.00 0.00 0.00 179.25 181.25 3kyo n GLU 212 N -3.76 2.53 -3.51 0.00 1.02 -1.26 -4.98 120.64 110.68 3kyo n GLU 212 Ca -0.01 0.92 -0.17 0.00 -0.02 0.00 0.00 57.16 57.87 3kyo n GLU 212 Cb 0.40 -2.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.00 3kyo n GLU 212 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3kyo s ILE 213 N 2.12 0.00 -0.15 -3.67 2.07 -1.26 -4.70 121.20 115.61 3kyo s ILE 213 Ca 0.81 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 3kyo s ILE 213 Cb -0.57 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.04 3kyo s ILE 213 CO 0.38 0.00 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.65 3kyo s ILE 214 N -1.50 1.55 -0.18 2.00 1.01 -0.72 -4.99 121.20 118.37 3kyo s ILE 214 Ca -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 3kyo s ILE 214 Cb -0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3kyo s ILE 214 CO 0.07 0.44 -0.05 -0.76 0.00 0.00 0.00 174.94 174.63 3kyo s LEU 215 N 1.49 2.99 -0.02 2.97 1.43 -1.26 -0.89 118.68 125.39 3kyo s LEU 215 Ca 0.05 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3kyo s LEU 215 Cb -0.13 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3kyo s LEU 215 CO -0.11 0.08 -0.05 0.42 0.23 0.00 0.00 176.35 176.92 3kyo s THR 216 N 0.91 0.45 -0.10 5.49 -4.23 -0.55 -4.97 115.64 112.65 3kyo s THR 216 Ca -0.01 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 3kyo s THR 216 Cb -0.15 -0.43 -0.05 0.00 1.34 0.00 0.00 72.50 73.22 3kyo s THR 216 CO 0.01 0.16 0.23 0.26 -0.54 0.00 0.00 174.62 174.74 3kyo s TRP 217 N 0.27 3.61 0.05 3.99 0.52 -1.26 -0.43 118.94 125.69 3kyo s TRP 217 Ca -0.03 0.65 0.09 0.00 0.02 0.00 0.00 56.10 56.84 3kyo s TRP 217 Cb -0.07 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 3kyo s TRP 217 CO -0.00 0.62 -0.26 -0.65 0.02 0.00 0.00 176.95 176.68 3kyo s GLN 218 N -0.77 1.77 -0.14 4.98 -0.21 0.69 0.05 119.66 126.02 3kyo s GLN 218 Ca 0.17 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.43 3kyo s GLN 218 Cb -0.13 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 3kyo s GLN 218 CO 0.06 0.50 -0.08 0.50 -2.12 0.00 0.00 175.29 174.15 3kyo s ARG 219 N -1.25 3.53 -1.58 2.91 3.52 -0.39 -1.63 118.95 124.07 3kyo s ARG 219 Ca 0.12 -0.60 -0.14 0.00 -0.13 0.00 0.00 55.73 54.97 3kyo s ARG 219 Cb -0.10 -2.77 0.10 0.00 -1.56 0.00 0.00 34.95 30.62 3kyo s ARG 219 CO 0.02 0.23 0.89 -0.25 -0.81 0.00 0.00 175.30 175.37 3kyo n ASP 220 N 3.53 -3.99 -0.01 -2.12 8.00 0.35 -1.17 116.55 121.14 3kyo n ASP 220 Ca -0.18 -0.87 -0.00 0.00 0.71 0.00 0.00 54.79 54.46 3kyo n ASP 220 Cb 0.53 -3.49 -0.00 0.00 -0.02 0.00 0.00 41.12 38.13 3kyo n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kyo n GLY 221 N -1.61 0.35 3.29 0.44 0.00 -1.26 -5.00 105.19 101.40 3kyo n GLY 221 Ca 0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3kyo n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyo s GLU 222 N -0.68 3.33 -0.07 1.61 2.02 -0.32 -5.02 118.70 119.57 3kyo s GLU 222 Ca 0.00 -0.65 -0.38 0.00 0.02 0.00 0.00 54.97 53.96 3kyo s GLU 222 Cb 0.00 -2.93 -0.16 0.00 0.10 0.00 0.00 34.13 31.14 3kyo s GLU 222 CO 0.00 -0.17 1.52 -0.25 0.02 0.00 0.00 175.26 176.39 3kyo n ASP 223 N 4.68 2.01 -4.43 -0.19 8.00 -1.26 -1.26 116.55 124.10 3kyo n ASP 223 Ca -0.19 1.10 -0.44 0.00 0.71 0.00 0.00 54.79 55.97 3kyo n ASP 223 Cb 0.51 -1.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.38 3kyo n ASP 223 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kyo s GLN 224 N 1.85 3.11 0.08 -1.24 -1.52 0.11 -4.84 119.66 117.21 3kyo s GLN 224 Ca 0.90 -0.98 -0.33 0.00 -1.95 0.00 0.00 55.36 53.00 3kyo s GLN 224 Cb -1.00 -4.19 -0.17 0.00 -0.22 0.00 0.00 33.01 27.44 3kyo s GLN 224 CO 0.55 -1.50 1.61 1.79 -0.25 0.00 0.00 175.29 177.49 3kyo h THR 225 N 5.93 0.22 -3.61 -0.19 1.35 -1.90 -3.41 112.91 111.30 3kyo h THR 225 Ca -0.28 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.09 3kyo h THR 225 Cb 1.08 0.22 0.05 0.00 -1.73 0.00 0.00 68.15 67.78 3kyo h THR 225 CO 1.08 0.00 0.15 -1.10 -0.25 0.00 0.00 175.52 175.39 3kyo s GLN 226 N -6.00 3.16 0.00 4.72 -0.21 -1.26 -4.14 119.66 115.92 3kyo s GLN 226 Ca -0.18 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.27 3kyo s GLN 226 Cb 0.04 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.74 3kyo s GLN 226 CO 0.62 -0.51 0.00 -0.25 -2.12 0.00 0.00 175.29 173.03 3kyo n ASP 227 N -2.46 -4.41 -4.69 5.90 9.92 -1.26 -4.97 116.55 114.58 3kyo n ASP 227 Ca 0.03 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.93 3kyo n ASP 227 Cb 0.57 -2.29 -0.09 0.00 -0.64 0.00 0.00 41.12 38.67 3kyo n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kyo s VAL 228 N -1.45 5.36 -0.22 2.53 1.01 -1.26 -4.51 120.40 121.87 3kyo s VAL 228 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 3kyo s VAL 228 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3kyo s VAL 228 CO 0.00 0.40 0.59 -0.70 0.00 0.00 0.00 175.10 175.38 3kyo s GLU 229 N 0.70 4.17 -0.22 2.72 2.12 0.32 -4.92 118.70 123.58 3kyo s GLU 229 Ca 0.08 0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.94 3kyo s GLU 229 Cb -0.12 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.71 3kyo s GLU 229 CO 0.01 -0.26 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.15 3kyo s LEU 230 N 1.99 2.75 0.65 2.70 2.96 -1.26 -0.73 118.68 127.74 3kyo s LEU 230 Ca 0.26 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 53.06 3kyo s LEU 230 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3kyo s LEU 230 CO 0.10 -0.09 1.05 0.68 -1.32 0.00 0.00 176.35 176.77 3kyo s VAL 231 N 1.21 3.98 0.28 1.68 -7.23 -0.84 -4.99 120.40 114.49 3kyo s VAL 231 Ca -0.01 0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 60.63 3kyo s VAL 231 Cb -0.16 -3.41 -0.10 0.00 0.56 0.00 0.00 36.38 33.26 3kyo s VAL 231 CO -0.09 -0.72 1.45 -0.70 -0.31 0.00 0.00 175.10 174.73 3kyo s GLU 232 N -4.62 4.24 0.25 4.82 2.12 -1.26 -4.65 118.70 119.60 3kyo s GLU 232 Ca 0.60 2.36 -0.31 0.00 0.36 0.00 0.00 54.97 57.98 3kyo s GLU 232 Cb -0.15 -3.07 -0.13 0.00 0.26 0.00 0.00 34.13 31.05 3kyo s GLU 232 CO 0.47 -0.43 1.53 2.41 -0.54 0.00 0.00 175.26 178.70 3kyo n THR 233 N 1.83 0.77 -4.17 -1.70 -1.04 -1.26 -4.85 114.28 103.87 3kyo n THR 233 Ca 0.05 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.05 61.70 3kyo n THR 233 Cb 0.40 -1.72 -0.12 0.00 -1.82 0.00 0.00 70.33 67.07 3kyo n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kyo s ARG 234 N -0.14 0.74 0.23 -2.82 1.70 -0.60 -4.98 118.95 113.09 3kyo s ARG 234 Ca 0.68 -0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 3kyo s ARG 234 Cb -0.58 -0.67 -0.09 0.00 -0.57 0.00 0.00 34.95 33.04 3kyo s ARG 234 CO 0.46 0.15 1.12 -1.25 -1.08 0.00 0.00 175.30 174.71 3kyo s PRO 235 N -1.52 4.59 0.26 3.89 0.04 -1.26 -1.26 135.00 139.74 3kyo s PRO 235 Ca -0.04 1.81 0.13 0.00 0.04 0.00 0.00 61.00 62.94 3kyo s PRO 235 Cb -0.09 -3.22 0.21 0.00 0.04 0.00 0.00 34.50 31.43 3kyo s PRO 235 CO 0.01 0.10 1.51 0.00 0.04 0.00 0.00 177.00 178.67 3kyo h ALA 236 N 4.45 0.72 0.00 8.56 0.00 -1.48 -3.46 119.26 128.04 3kyo h ALA 236 Ca -0.46 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3kyo h ALA 236 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kyo h ALA 236 CO 0.70 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3kyo n GLY 237 N 0.85 0.60 0.05 0.00 0.00 -1.26 -4.94 105.19 100.48 3kyo n GLY 237 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3kyo n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kyo n ASP 238 N 0.00 2.01 0.00 1.61 5.68 -1.26 -4.96 116.55 119.62 3kyo n ASP 238 Ca 0.00 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 3kyo n ASP 238 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 3kyo n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kyo n GLY 239 N -0.86 0.75 3.76 6.12 0.00 -1.26 -5.07 105.19 108.63 3kyo n GLY 239 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3kyo n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kyo s THR 240 N -2.33 1.66 0.32 2.61 -4.23 -1.26 -4.85 115.64 107.55 3kyo s THR 240 Ca 0.00 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 3kyo s THR 240 Cb 0.00 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.28 3kyo s THR 240 CO 0.00 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.70 3kyo s PHE 241 N -2.77 2.09 0.03 3.99 0.40 0.08 -1.24 117.98 120.57 3kyo s PHE 241 Ca 0.24 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3kyo s PHE 241 Cb 0.03 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3kyo s PHE 241 CO 0.13 0.26 -0.04 -0.65 0.70 0.00 0.00 175.22 175.62 3kyo s GLN 242 N -3.76 0.44 0.10 0.44 -0.21 -0.39 -1.48 119.66 114.80 3kyo s GLN 242 Ca 0.33 -0.80 -0.25 0.00 0.02 0.00 0.00 55.36 54.65 3kyo s GLN 242 Cb 0.06 0.04 0.08 0.00 1.00 0.00 0.00 33.01 34.18 3kyo s GLN 242 CO 0.14 -0.04 0.66 0.21 -2.12 0.00 0.00 175.29 174.14 3kyo s LYS 243 N -2.12 1.17 0.11 2.91 2.20 -0.43 -1.56 119.74 122.03 3kyo s LYS 243 Ca -0.09 -0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 55.16 3kyo s LYS 243 Cb -0.05 0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 3kyo s LYS 243 CO -0.03 -0.49 0.16 1.67 -0.36 0.00 0.00 175.35 176.30 3kyo s TRP 244 N -3.16 0.42 -0.00 4.03 1.48 -1.26 -0.84 118.94 119.60 3kyo s TRP 244 Ca -0.01 -0.84 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 3kyo s TRP 244 Cb -0.01 -0.19 0.01 0.00 -1.16 0.00 0.00 33.47 32.12 3kyo s TRP 244 CO -0.08 -0.57 0.00 0.00 -4.06 0.00 0.00 176.95 172.24 3kyo s ALA 245 N -3.94 0.06 0.03 2.67 0.00 -0.56 -1.99 121.76 118.04 3kyo s ALA 245 Ca 0.13 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.16 3kyo s ALA 245 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3kyo s ALA 245 CO -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 175.76 175.60 3kyo s ALA 246 N 0.22 0.76 0.03 0.00 0.00 0.09 -0.13 121.76 122.73 3kyo s ALA 246 Ca -0.02 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3kyo s ALA 246 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3kyo s ALA 246 CO -0.01 0.10 -0.07 0.54 0.00 0.00 0.00 175.76 176.33 3kyo s VAL 247 N -0.86 0.47 -0.18 0.00 0.11 -0.38 -0.52 120.40 119.04 3kyo s VAL 247 Ca -0.03 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3kyo s VAL 247 Cb -0.07 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3kyo s VAL 247 CO 0.01 -0.28 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.79 3kyo s VAL 248 N -1.09 3.91 0.15 2.04 1.01 -1.26 -0.90 120.40 124.25 3kyo s VAL 248 Ca -0.08 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3kyo s VAL 248 Cb -0.08 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3kyo s VAL 248 CO 0.00 0.46 -0.10 0.68 0.00 0.00 0.00 175.10 176.14 3kyo s VAL 249 N 0.70 1.20 0.28 2.92 -7.23 0.34 -4.91 120.40 113.70 3kyo s VAL 249 Ca -0.01 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 3kyo s VAL 249 Cb -0.14 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 3kyo s VAL 249 CO 0.02 -0.73 1.45 -2.84 -0.31 0.00 0.00 175.10 172.69 3kyo s PRO 250 N -3.74 4.24 0.27 4.82 0.02 -1.26 -0.54 135.00 138.81 3kyo s PRO 250 Ca 0.17 2.36 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 3kyo s PRO 250 Cb 0.02 -3.08 -0.11 0.00 0.02 0.00 0.00 34.50 31.36 3kyo s PRO 250 CO 0.01 -0.44 1.55 0.45 -0.33 0.00 0.00 177.00 178.24 3kyo s SER 251 N 0.22 6.47 0.00 2.53 0.15 -0.31 -1.48 113.70 121.28 3kyo s SER 251 Ca 0.58 2.84 0.00 0.00 0.70 0.00 0.00 55.95 60.07 3kyo s SER 251 Cb -0.43 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 3kyo s SER 251 CO 0.47 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3kyo n GLY 252 N 2.31 0.81 0.00 9.45 0.00 -1.26 -4.91 105.19 111.59 3kyo n GLY 252 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kyo n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyo n GLU 253 N -2.00 2.71 -0.01 1.61 1.02 -0.55 -4.80 120.64 118.63 3kyo n GLU 253 Ca 0.00 -1.41 0.08 0.00 -0.02 0.00 0.00 57.16 55.81 3kyo n GLU 253 Cb 0.00 -0.97 0.48 0.00 -0.02 0.00 0.00 31.44 30.94 3kyo n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kyo h GLU 254 N 0.00 0.42 0.00 3.49 3.07 -1.91 -1.11 114.58 118.54 3kyo h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kyo h GLU 254 Cb 0.52 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3kyo h GLU 254 CO 0.00 0.28 0.00 1.96 -1.40 0.00 0.00 179.01 179.85 3kyo h GLN 255 N 0.43 0.00 0.00 2.33 7.50 -1.87 -2.77 115.11 120.73 3kyo h GLN 255 Ca 0.20 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.35 3kyo h GLN 255 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3kyo h GLN 255 CO -0.05 0.00 0.00 0.54 -1.50 0.00 0.00 178.83 177.82 3kyo n ARG 256 N -2.74 0.92 -5.13 1.46 1.74 -0.42 -4.83 116.66 107.66 3kyo n ARG 256 Ca 0.01 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 3kyo n ARG 256 Cb 0.26 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 3kyo n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kyo s TYR 257 N -2.00 2.51 -0.01 -1.55 1.51 -1.05 -0.50 117.35 116.26 3kyo s TYR 257 Ca 0.27 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3kyo s TYR 257 Cb 0.12 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 3kyo s TYR 257 CO 0.21 -0.04 -0.03 0.95 -1.11 0.00 0.00 175.55 175.53 3kyo s THR 258 N -0.43 0.30 -0.10 -0.71 -4.23 -0.65 -4.51 115.64 105.31 3kyo s THR 258 Ca 0.05 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.36 3kyo s THR 258 Cb -0.12 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 3kyo s THR 258 CO 0.01 0.11 0.17 0.00 -0.54 0.00 0.00 174.62 174.37 3kyo s HIS 260 N -1.06 1.55 -0.14 0.00 3.76 0.43 -0.62 115.29 119.21 3kyo s HIS 260 Ca 0.17 -0.66 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 3kyo s HIS 260 Cb -0.12 -1.17 0.01 0.00 1.11 0.00 0.00 32.58 32.40 3kyo s HIS 260 CO 0.06 -0.38 -0.21 0.08 -0.85 0.00 0.00 174.74 173.44 3kyo s VAL 261 N 1.01 2.14 -0.09 -0.90 1.01 -0.81 -1.49 120.40 121.27 3kyo s VAL 261 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3kyo s VAL 261 Cb -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3kyo s VAL 261 CO -0.01 0.55 -0.22 -1.10 0.00 0.00 0.00 175.10 174.32 3kyo s GLN 262 N 0.81 2.74 -0.13 2.72 -0.21 -0.07 -2.17 119.66 123.36 3kyo s GLN 262 Ca -0.07 -0.78 -0.21 0.00 0.02 0.00 0.00 55.36 54.32 3kyo s GLN 262 Cb -0.15 -2.10 0.05 0.00 1.00 0.00 0.00 33.01 31.81 3kyo s GLN 262 CO -0.02 0.16 0.53 -1.58 -2.12 0.00 0.00 175.29 172.26 3kyo s HIS 263 N 0.39 -0.53 0.45 0.91 2.46 -1.26 -1.75 115.29 115.95 3kyo s HIS 263 Ca -0.17 1.15 0.19 0.00 0.47 0.00 0.00 55.06 56.69 3kyo s HIS 263 Cb -0.17 0.23 1.14 0.00 -0.13 0.00 0.00 32.58 33.65 3kyo s HIS 263 CO 0.08 -0.39 1.92 1.49 -2.47 0.00 0.00 174.74 175.37 3kyo h GLU 264 N 4.45 0.31 0.00 2.88 4.81 -1.94 -2.09 114.58 123.00 3kyo h GLU 264 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3kyo h GLU 264 Cb 1.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3kyo h GLU 264 CO 0.26 0.20 0.00 0.41 -0.73 0.00 0.00 179.01 179.16 3kyo n GLY 265 N -1.55 -1.39 3.77 1.92 0.00 -1.26 -4.81 105.19 101.87 3kyo n GLY 265 Ca 0.14 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3kyo n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyo s LEU 266 N -3.26 4.52 0.37 0.99 1.43 -0.79 -4.41 118.68 117.53 3kyo s LEU 266 Ca 0.11 1.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 3kyo s LEU 266 Cb 0.15 -3.19 0.70 0.00 0.03 0.00 0.00 46.19 43.89 3kyo s LEU 266 CO 0.47 0.15 1.96 -0.65 0.23 0.00 0.00 176.35 178.50 3kyo h PRO 267 N 4.91 0.56 -2.81 1.29 0.11 -1.88 -3.45 132.00 130.74 3kyo h PRO 267 Ca -0.46 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3kyo h PRO 267 Cb 1.21 -0.11 -0.18 0.00 0.11 0.00 0.00 31.00 32.04 3kyo h PRO 267 CO 0.67 0.48 -0.06 -1.83 -0.21 0.00 0.00 178.00 177.05 3kyo s GLU 268 N -5.25 0.91 0.34 1.05 -1.05 -1.26 -5.15 118.70 108.29 3kyo s GLU 268 Ca -0.08 -0.20 -0.27 0.00 -0.15 0.00 0.00 54.97 54.28 3kyo s GLU 268 Cb 0.16 0.41 -0.13 0.00 -0.44 0.00 0.00 34.13 34.14 3kyo s GLU 268 CO 0.75 -0.30 0.96 -2.30 0.95 0.00 0.00 175.26 175.32 3kyo n PRO 269 N 0.71 1.28 -3.77 -4.83 -0.02 -1.26 -4.98 135.00 122.13 3kyo n PRO 269 Ca -0.19 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 3kyo n PRO 269 Cb 0.59 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 3kyo n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kyo s LEU 270 N 0.32 4.32 -0.05 2.45 1.43 -0.92 -4.94 118.68 121.29 3kyo s LEU 270 Ca 0.60 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.25 3kyo s LEU 270 Cb -0.65 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3kyo s LEU 270 CO 0.59 0.13 -0.24 -0.32 0.23 0.00 0.00 176.35 176.74 3kyo s MET 271 N -2.42 2.34 0.01 1.70 -2.45 -1.26 -1.92 119.30 115.30 3kyo s MET 271 Ca 0.36 -0.87 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 3kyo s MET 271 Cb -0.13 -2.04 -0.02 0.00 1.25 0.00 0.00 34.83 33.89 3kyo s MET 271 CO 0.24 0.40 -0.13 -0.51 1.05 0.00 0.00 175.02 176.06 3kyo s LEU 272 N -0.23 2.09 -0.01 4.11 1.02 0.20 -4.97 118.68 120.90 3kyo s LEU 272 Ca -0.01 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.83 3kyo s LEU 272 Cb -0.13 -0.63 -0.00 0.00 0.02 0.00 0.00 46.19 45.45 3kyo s LEU 272 CO 0.02 0.10 -0.06 -0.60 0.02 0.00 0.00 176.35 175.83 3kyo s ARG 273 N -0.68 0.58 0.00 1.70 3.52 -1.26 -0.82 118.95 122.00 3kyo s ARG 273 Ca 0.03 -0.22 0.30 0.00 -0.13 0.00 0.00 55.73 55.72 3kyo s ARG 273 Cb -0.06 -0.57 1.81 0.00 -1.56 0.00 0.00 34.95 34.57 3kyo s ARG 273 CO 0.00 0.11 2.14 1.87 -0.81 0.00 0.00 175.30 178.62