#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 3.40 0.05 7.33 0.09 -1.26 -4.84 115.29 120.06 3kyo s HIS 3 Ca 0.00 1.27 -0.05 0.00 -0.00 0.00 0.00 55.06 56.28 3kyo s HIS 3 Cb 0.00 -2.60 -0.02 0.00 -0.00 0.00 0.00 32.58 29.96 3kyo s HIS 3 CO 0.00 -0.06 0.08 -1.54 -0.00 0.00 0.00 174.74 173.23 3kyo s SER 4 N -2.59 0.25 -0.04 1.40 1.04 -1.26 -0.90 113.70 111.60 3kyo s SER 4 Ca 0.55 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 56.33 3kyo s SER 4 Cb -0.10 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 3kyo s SER 4 CO 0.22 -0.59 -0.18 -0.32 0.98 0.00 0.00 173.24 173.35 3kyo s MET 5 N -3.29 1.83 0.01 4.02 -2.45 -0.31 -0.90 119.30 118.21 3kyo s MET 5 Ca 0.01 -0.64 -0.00 0.00 -1.25 0.00 0.00 55.69 53.81 3kyo s MET 5 Cb 0.03 -1.59 -0.01 0.00 1.25 0.00 0.00 34.83 34.50 3kyo s MET 5 CO -0.08 0.26 -0.01 1.03 1.05 0.00 0.00 175.02 177.28 3kyo s ARG 6 N -0.00 0.17 0.07 4.11 1.81 -0.46 -1.27 118.95 123.37 3kyo s ARG 6 Ca -0.03 -0.31 0.09 0.00 -1.72 0.00 0.00 55.73 53.76 3kyo s ARG 6 Cb -0.11 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.41 3kyo s ARG 6 CO 0.02 -0.03 -0.25 0.71 -0.68 0.00 0.00 175.30 175.08 3kyo s TYR 7 N -0.75 2.14 0.07 -0.53 1.51 -0.17 -0.58 117.35 119.05 3kyo s TYR 7 Ca -0.08 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 3kyo s TYR 7 Cb -0.05 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3kyo s TYR 7 CO -0.00 0.19 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.48 3kyo s PHE 8 N -0.91 0.84 0.02 2.71 0.40 -0.00 -1.08 117.98 119.95 3kyo s PHE 8 Ca 0.11 -0.70 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 3kyo s PHE 8 Cb -0.10 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.97 3kyo s PHE 8 CO 0.03 -0.10 0.30 -1.54 0.70 0.00 0.00 175.22 174.62 3kyo s SER 9 N -2.34 -0.14 -0.03 1.36 1.04 -0.30 -1.13 113.70 112.17 3kyo s SER 9 Ca 0.02 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.38 3kyo s SER 9 Cb -0.02 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.43 3kyo s SER 9 CO -0.02 -0.54 -0.08 0.00 0.98 0.00 0.00 173.24 173.59 3kyo s ALA 10 N -2.03 0.77 -0.15 5.32 0.00 -0.13 -1.34 121.76 124.19 3kyo s ALA 10 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.63 3kyo s ALA 10 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3kyo s ALA 10 CO -0.00 0.10 -0.18 0.00 0.00 0.00 0.00 175.76 175.68 3kyo s ALA 11 N 0.30 2.38 -0.20 0.00 0.00 0.57 -1.17 121.76 123.65 3kyo s ALA 11 Ca -0.04 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3kyo s ALA 11 Cb -0.09 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.95 3kyo s ALA 11 CO 0.00 -0.04 -0.08 0.08 0.00 0.00 0.00 175.76 175.72 3kyo s VAL 12 N 0.82 1.50 0.58 0.00 1.01 -0.52 -0.72 120.40 123.08 3kyo s VAL 12 Ca -0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 3kyo s VAL 12 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3kyo s VAL 12 CO -0.01 0.12 1.05 -0.94 0.00 0.00 0.00 175.10 175.32 3kyo s SER 13 N 1.45 5.88 -0.41 3.32 1.04 -0.10 -1.83 113.70 123.04 3kyo s SER 13 Ca -0.02 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.28 3kyo s SER 13 Cb -0.16 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.59 3kyo s SER 13 CO -0.08 -1.10 0.39 0.00 0.98 0.00 0.00 173.24 173.43 3kyo s ARG 14 N -3.96 0.85 0.07 4.02 1.70 -1.26 -4.19 118.95 116.18 3kyo s ARG 14 Ca 0.64 -1.66 -0.36 0.00 -0.47 0.00 0.00 55.73 53.88 3kyo s ARG 14 Cb -0.16 -1.08 -0.16 0.00 -0.57 0.00 0.00 34.95 32.99 3kyo s ARG 14 CO 0.35 -1.33 1.46 -2.30 -1.08 0.00 0.00 175.30 172.40 3kyo n PRO 15 N 3.21 1.48 0.00 3.89 -0.02 -1.26 -1.22 135.00 141.07 3kyo n PRO 15 Ca 0.23 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3kyo n PRO 15 Cb 0.47 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.97 2.90 2.21 -1.23 0.00 -1.26 -4.89 105.19 105.89 3kyo n GLY 16 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.70 2.52 0.00 1.61 1.74 -0.36 -5.08 116.66 116.39 3kyo n ARG 17 Ca 0.00 -3.22 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 3kyo n ARG 17 Cb 0.00 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 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 -1.01 -1.74 3.65 -0.13 0.00 -1.26 -4.95 105.19 99.75 3kyo n GLY 18 Ca 0.59 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3kyo n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyo n GLU 19 N 0.00 0.17 -2.21 1.61 1.02 -1.26 -4.58 120.64 115.38 3kyo n GLU 19 Ca 0.00 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 3kyo n GLU 19 Cb 0.00 -2.34 -0.03 0.00 -0.02 0.00 0.00 31.44 29.05 3kyo n GLU 19 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3kyo s PRO 20 N -3.94 4.40 0.51 3.49 0.02 -1.26 -4.72 135.00 133.50 3kyo s PRO 20 Ca 0.72 2.07 -0.22 0.00 0.02 0.00 0.00 61.00 63.59 3kyo s PRO 20 Cb -0.29 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 30.99 3kyo s PRO 20 CO 0.52 -0.20 1.04 -2.13 -0.33 0.00 0.00 177.00 175.91 3kyo n ARG 21 N 2.07 1.25 -3.86 5.54 0.63 -0.76 -4.72 116.66 116.81 3kyo n ARG 21 Ca 0.04 0.46 -0.19 0.00 -0.92 0.00 0.00 57.85 57.25 3kyo n ARG 21 Cb 0.43 -2.18 -0.17 0.00 0.45 0.00 0.00 32.46 30.99 3kyo n ARG 21 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3kyo s PHE 22 N -1.38 0.34 0.07 -0.14 5.36 -1.26 -1.44 117.98 119.54 3kyo s PHE 22 Ca 0.69 0.01 0.09 0.00 -0.96 0.00 0.00 56.93 56.76 3kyo s PHE 22 Cb -0.48 -0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 41.68 3kyo s PHE 22 CO 0.52 -0.18 -0.24 0.96 -1.46 0.00 0.00 175.22 174.82 3kyo s ILE 23 N 1.38 1.97 -0.06 3.12 -4.36 -0.32 -1.10 121.20 121.84 3kyo s ILE 23 Ca -0.05 -1.45 -0.07 0.00 -0.26 0.00 0.00 60.65 58.82 3kyo s ILE 23 Cb -0.13 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.87 3kyo s ILE 23 CO -0.03 0.19 0.19 0.00 0.24 0.00 0.00 174.94 175.54 3kyo s ALA 24 N -0.92 -0.47 0.09 2.27 0.00 -0.55 -0.95 121.76 121.23 3kyo s ALA 24 Ca 0.10 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 3kyo s ALA 24 Cb -0.10 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.82 3kyo s ALA 24 CO 0.03 -0.12 0.40 0.00 0.00 0.00 0.00 175.76 176.07 3kyo s MET 25 N -0.19 1.00 0.02 0.00 0.23 -0.29 -0.30 119.30 119.78 3kyo s MET 25 Ca -0.03 -0.58 0.04 0.00 -1.03 0.00 0.00 55.69 54.09 3kyo s MET 25 Cb -0.03 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 3kyo s MET 25 CO 0.01 -0.37 -0.11 0.20 -2.03 0.00 0.00 175.02 172.71 3kyo s GLY 26 N -2.49 0.60 -0.01 3.16 0.00 -0.61 -0.82 107.32 107.15 3kyo s GLY 26 Ca -0.00 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 44.11 3kyo s GLY 26 CO -0.08 -0.62 -0.11 -0.19 0.00 0.00 0.00 173.10 172.09 3kyo s TYR 27 N -0.70 1.01 -0.36 1.90 1.51 0.25 -0.55 117.35 120.41 3kyo s TYR 27 Ca 0.00 -0.19 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3kyo s TYR 27 Cb -0.07 -0.65 0.05 0.00 -0.11 0.00 0.00 41.96 41.19 3kyo s TYR 27 CO 0.01 -0.02 0.14 0.08 -1.11 0.00 0.00 175.55 174.65 3kyo s VAL 28 N -0.28 3.80 0.00 0.71 1.01 -0.61 -1.36 120.40 123.68 3kyo s VAL 28 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3kyo s VAL 28 Cb -0.04 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3kyo s VAL 28 CO -0.00 -0.28 0.00 0.47 0.00 0.00 0.00 175.10 175.29 3kyo n ASP 29 N 4.81 0.00 -0.27 3.32 8.00 -0.08 -2.89 116.55 129.43 3kyo n ASP 29 Ca -0.11 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.40 3kyo n ASP 29 Cb 0.44 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.95 0.72 -4.40 -2.24 8.00 -1.26 -4.76 116.55 111.67 3kyo n ASP 30 Ca 0.00 -2.02 -0.39 0.00 0.71 0.00 0.00 54.79 53.09 3kyo n ASP 30 Cb 0.00 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.74 4.45 0.28 -3.53 2.01 -1.14 -5.07 115.64 110.89 3kyo s THR 31 Ca 0.06 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 3kyo s THR 31 Cb 0.04 -3.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 3kyo s THR 31 CO 0.04 -0.02 1.29 -1.58 -0.69 0.00 0.00 174.62 173.66 3kyo s GLN 32 N 1.57 4.40 0.00 4.92 0.74 -1.26 -1.57 119.66 128.46 3kyo s GLN 32 Ca 0.03 2.12 0.00 0.00 0.05 0.00 0.00 55.36 57.56 3kyo s GLN 32 Cb -0.18 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.81 3kyo s GLN 32 CO 0.06 -0.17 0.00 1.97 -0.55 0.00 0.00 175.29 176.59 3kyo n PHE 33 N 1.53 0.00 -3.81 1.67 -1.74 0.28 -3.91 117.46 111.48 3kyo n PHE 33 Ca 0.02 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.81 3kyo n PHE 33 Cb 0.42 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 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 -1.03 0.10 -0.26 1.97 -7.23 -1.18 -0.95 120.40 111.83 3kyo s VAL 34 Ca 0.00 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 3kyo s VAL 34 Cb 0.00 -0.93 0.09 0.00 0.56 0.00 0.00 36.38 36.09 3kyo s VAL 34 CO 0.00 -0.46 0.60 -0.60 -0.31 0.00 0.00 175.10 174.34 3kyo s ARG 35 N -2.60 0.59 -0.05 4.82 3.52 -0.48 -1.58 118.95 123.16 3kyo s ARG 35 Ca -0.05 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 3kyo s ARG 35 Cb -0.01 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.65 3kyo s ARG 35 CO -0.04 -0.17 -0.22 0.12 -0.81 0.00 0.00 175.30 174.18 3kyo s PHE 36 N 1.95 2.50 -0.12 5.12 2.19 0.58 -1.78 117.98 128.43 3kyo s PHE 36 Ca -0.08 -0.54 -0.04 0.00 0.33 0.00 0.00 56.93 56.60 3kyo s PHE 36 Cb -0.08 -1.60 0.06 0.00 -1.31 0.00 0.00 43.02 40.09 3kyo s PHE 36 CO -0.18 -0.10 0.16 0.34 1.83 0.00 0.00 175.22 177.28 3kyo s ASP 37 N -0.33 1.07 0.62 6.13 -1.08 -1.26 -1.49 116.67 120.34 3kyo s ASP 37 Ca 0.02 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 52.47 3kyo s ASP 37 Cb -0.12 0.23 1.80 0.00 -1.46 0.00 0.00 42.92 43.36 3kyo s ASP 37 CO 0.02 -0.27 2.10 0.77 0.52 0.00 0.00 175.17 178.31 3kyo h SER 38 N 8.36 0.00 0.88 -0.34 4.64 -1.51 -1.37 113.55 124.21 3kyo h SER 38 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3kyo h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3kyo h SER 38 CO 0.19 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 3kyo n ASP 39 N -3.45 0.02 -4.71 4.97 8.00 -1.26 -4.80 116.55 115.32 3kyo n ASP 39 Ca 0.00 0.50 -0.35 0.00 0.71 0.00 0.00 54.79 55.65 3kyo n ASP 39 Cb 0.30 -0.51 0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3kyo n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kyo n SER 40 N -1.52 1.52 -0.33 -2.24 7.64 -0.52 -4.93 113.62 113.24 3kyo n SER 40 Ca 0.06 0.70 0.01 0.00 1.01 0.00 0.00 58.87 60.64 3kyo n SER 40 Cb 0.30 -1.53 0.14 0.00 -1.01 0.00 0.00 64.21 62.11 3kyo n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kyo h ALA 41 N -0.25 1.23 -2.61 -0.43 0.00 -1.89 -3.32 119.26 111.99 3kyo h ALA 41 Ca -0.48 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 3kyo h ALA 41 Cb 1.32 -0.28 -0.39 0.00 0.00 0.00 0.00 17.79 18.44 3kyo h ALA 41 CO 0.49 0.37 -0.84 0.45 0.00 0.00 0.00 179.25 179.72 3kyo s SER 42 N -5.85 2.56 -0.21 0.00 0.15 -1.26 -5.09 113.70 104.00 3kyo s SER 42 Ca -0.13 -3.25 -0.38 0.00 0.70 0.00 0.00 55.95 52.89 3kyo s SER 42 Cb 0.19 -0.81 -0.15 0.00 -1.71 0.00 0.00 66.02 63.54 3kyo s SER 42 CO 0.80 -0.15 1.76 -2.65 1.20 0.00 0.00 173.24 174.19 3kyo n PRO 43 N 2.66 1.41 -3.64 5.44 -0.02 -1.25 -4.95 135.00 134.66 3kyo n PRO 43 Ca 0.25 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.15 3kyo n PRO 43 Cb 0.43 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3kyo n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3kyo s ARG 44 N 3.48 1.29 -0.11 -0.52 1.70 -1.26 -5.04 118.95 118.49 3kyo s ARG 44 Ca 0.96 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 55.19 3kyo s ARG 44 Cb -0.97 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 33.92 3kyo s ARG 44 CO 0.61 -0.55 1.17 1.41 -1.08 0.00 0.00 175.30 176.86 3kyo s MET 45 N -3.83 4.32 0.16 3.89 -2.45 -1.26 -4.30 119.30 115.83 3kyo s MET 45 Ca 0.06 1.59 0.10 0.00 -1.25 0.00 0.00 55.69 56.19 3kyo s MET 45 Cb -0.00 -3.62 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 3kyo s MET 45 CO -0.07 -0.51 -0.23 -1.21 1.05 0.00 0.00 175.02 174.05 3kyo s GLU 46 N 2.62 1.39 0.45 4.11 2.02 -0.73 -4.86 118.70 123.69 3kyo s GLU 46 Ca 0.53 -1.42 -0.23 0.00 0.02 0.00 0.00 54.97 53.87 3kyo s GLU 46 Cb -0.22 -1.67 -0.08 0.00 0.10 0.00 0.00 34.13 32.27 3kyo s GLU 46 CO 0.18 0.36 1.12 -1.25 0.02 0.00 0.00 175.26 175.69 3kyo s PRO 47 N -2.51 3.84 0.00 0.39 0.04 -1.26 -1.38 135.00 134.12 3kyo s PRO 47 Ca 0.17 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3kyo s PRO 47 Cb -0.08 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3kyo s PRO 47 CO 0.08 -0.45 0.26 0.54 0.04 0.00 0.00 177.00 177.46 3kyo n ARG 48 N -0.46 0.34 -4.16 4.56 5.12 -0.12 -4.82 116.66 117.12 3kyo n ARG 48 Ca 0.07 -0.26 -0.16 0.00 -1.93 0.00 0.00 57.85 55.57 3kyo n ARG 48 Cb 0.49 -0.73 -0.13 0.00 -1.16 0.00 0.00 32.46 30.94 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 -0.12 0.72 0.38 7.54 0.00 -1.24 -4.73 121.76 124.30 3kyo s ALA 49 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3kyo s ALA 49 Cb 0.00 -0.05 0.73 0.00 0.00 0.00 0.00 23.12 23.80 3kyo s ALA 49 CO 0.00 0.08 2.01 -1.35 0.00 0.00 0.00 175.76 176.50 3kyo h PRO 50 N 4.94 0.66 0.00 0.00 0.11 -1.94 -2.88 132.00 132.89 3kyo h PRO 50 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kyo h PRO 50 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kyo h PRO 50 CO 0.44 0.47 0.00 -2.67 -0.21 0.00 0.00 178.00 176.02 3kyo n TRP 51 N -4.43 0.00 0.30 0.65 4.27 -1.26 -2.25 117.44 114.72 3kyo n TRP 51 Ca 0.04 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.76 3kyo n TRP 51 Cb 0.08 -0.50 -0.08 0.00 -1.36 0.00 0.00 31.31 29.45 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 -1.50 0.15 0.33 -1.67 3.14 -1.09 -4.38 118.33 113.31 3kyo n VAL 52 Ca 0.05 -0.37 0.22 0.00 -2.96 0.00 0.00 64.34 61.27 3kyo n VAL 52 Cb 0.22 0.12 1.14 0.00 -1.06 0.00 0.00 33.84 34.26 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 -1.54 -1.12 114.58 118.45 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3kyo h GLU 53 CO 0.00 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.45 3kyo h GLN 54 N 0.00 0.00 -7.08 2.33 3.07 -1.76 -3.44 115.11 108.23 3kyo h GLN 54 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 3kyo h GLN 54 Cb 0.06 0.00 0.13 0.00 0.08 0.00 0.00 27.48 27.74 3kyo h GLN 54 CO 0.00 0.00 0.52 -1.21 0.09 0.00 0.00 178.83 178.24 3kyo s GLU 55 N -3.28 2.99 0.78 0.06 0.41 -0.43 -4.96 118.70 114.27 3kyo s GLU 55 Ca 0.06 2.00 -0.08 0.00 -0.41 0.00 0.00 54.97 56.54 3kyo s GLU 55 Cb 0.09 -2.05 0.11 0.00 -1.78 0.00 0.00 34.13 30.51 3kyo s GLU 55 CO 0.54 -1.24 1.11 0.20 -0.49 0.00 0.00 175.26 175.38 3kyo s GLY 56 N -1.33 1.72 0.36 -1.39 0.00 -1.26 -4.87 107.32 100.55 3kyo s GLY 56 Ca 0.76 -1.15 0.11 0.00 0.00 0.00 0.00 44.72 44.43 3kyo s GLY 56 CO 0.39 -0.61 1.84 -2.55 0.00 0.00 0.00 173.10 172.18 3kyo h PRO 57 N -0.90 0.62 -0.21 2.90 0.11 -1.97 -0.48 132.00 132.08 3kyo h PRO 57 Ca -0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3kyo h PRO 57 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3kyo h PRO 57 CO 0.50 0.41 -0.07 0.93 -0.21 0.00 0.00 178.00 179.57 3kyo h GLU 58 N 0.63 0.32 0.00 1.05 5.08 -1.99 -0.97 114.58 118.71 3kyo h GLU 58 Ca 0.48 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3kyo h GLU 58 Cb 0.88 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3kyo h GLU 58 CO -0.24 0.40 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.26 3kyo h TYR 59 N 0.31 -0.00 -0.59 4.33 3.20 -1.43 -1.78 116.97 121.00 3kyo h TYR 59 Ca 0.07 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3kyo h TYR 59 Cb 0.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3kyo h TYR 59 CO 0.01 0.31 0.07 -1.49 -1.64 0.00 0.00 178.16 175.42 3kyo h TRP 60 N -0.32 1.07 -0.47 -3.82 4.06 -1.37 -0.18 115.95 114.92 3kyo h TRP 60 Ca -0.00 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.79 3kyo h TRP 60 Cb 0.31 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.16 3kyo h TRP 60 CO 0.03 0.93 0.30 0.93 -3.56 0.00 0.00 178.44 177.07 3kyo h GLU 61 N 0.89 0.63 -0.33 0.49 5.08 -1.16 -1.63 114.58 118.55 3kyo h GLU 61 Ca 0.18 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 3kyo h GLU 61 Cb 0.46 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3kyo h GLU 61 CO 0.02 0.43 -0.44 1.49 -1.00 0.00 0.00 179.01 179.51 3kyo h GLU 62 N 0.63 0.88 -0.89 2.33 4.57 -0.97 -1.32 114.58 119.80 3kyo h GLU 62 Ca 0.17 -0.51 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3kyo h GLU 62 Cb -0.04 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3kyo h GLU 62 CO -0.03 1.15 0.58 0.93 -1.18 0.00 0.00 179.01 180.46 3kyo h GLU 63 N 0.67 1.18 0.25 1.92 4.39 -0.97 -0.54 114.58 121.49 3kyo h GLU 63 Ca 0.04 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3kyo h GLU 63 Cb 1.04 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3kyo h GLU 63 CO 0.10 0.79 -0.12 1.15 -1.16 0.00 0.00 179.01 179.77 3kyo h THR 64 N 1.22 0.80 -0.38 1.13 2.02 -1.12 -1.53 112.91 115.05 3kyo h THR 64 Ca 0.33 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3kyo h THR 64 Cb -0.13 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3kyo h THR 64 CO -0.07 0.08 -0.03 -0.09 0.37 0.00 0.00 175.52 175.79 3kyo h ARG 65 N -0.53 0.07 -0.62 6.66 2.43 -1.08 -1.00 114.38 120.32 3kyo h ARG 65 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3kyo h ARG 65 Cb 0.39 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3kyo h ARG 65 CO 0.06 0.05 0.39 -0.97 -1.51 0.00 0.00 179.97 177.98 3kyo h ASN 66 N 0.07 0.73 0.64 -3.80 -0.00 -1.12 -1.88 115.58 110.22 3kyo h ASN 66 Ca 0.18 -0.04 -0.17 0.00 -0.00 0.00 0.00 56.30 56.27 3kyo h ASN 66 Cb 0.26 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 3kyo h ASN 66 CO -0.33 0.56 -0.77 0.74 -0.00 0.00 0.00 177.43 177.63 3kyo h THR 67 N 0.84 1.50 -0.54 -3.57 2.02 -0.86 -0.89 112.91 111.41 3kyo h THR 67 Ca 0.22 -2.49 -0.02 0.00 0.77 0.00 0.00 66.41 64.89 3kyo h THR 67 Cb -0.06 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 3kyo h THR 67 CO -0.05 0.72 0.25 0.11 0.37 0.00 0.00 175.52 176.93 3kyo h LYS 68 N 0.06 0.79 0.08 6.66 1.57 -0.97 0.34 116.57 125.10 3kyo h LYS 68 Ca -0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kyo h LYS 68 Cb 1.35 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3kyo h LYS 68 CO 0.11 0.66 -0.09 0.00 -0.57 0.00 0.00 179.45 179.56 3kyo h ALA 69 N 1.09 -0.16 -0.74 3.86 0.00 -1.06 -2.48 119.26 119.77 3kyo h ALA 69 Ca 0.19 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.24 3kyo h ALA 69 Cb 0.13 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 3kyo h ALA 69 CO -0.02 -0.61 -0.02 1.25 0.00 0.00 0.00 179.25 179.85 3kyo h HIS 70 N -0.19 -0.10 -0.42 0.00 -0.00 -0.83 -1.37 115.15 112.25 3kyo h HIS 70 Ca 0.01 0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 3kyo h HIS 70 Cb 0.19 0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 3kyo h HIS 70 CO -0.11 -0.25 0.23 0.00 -0.00 0.00 0.00 177.93 177.80 3kyo h ALA 71 N 1.70 0.53 -0.52 5.26 0.00 -0.72 -0.51 119.26 125.00 3kyo h ALA 71 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3kyo h ALA 71 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kyo h ALA 71 CO -0.67 -0.12 0.08 1.96 0.00 0.00 0.00 179.25 180.50 3kyo h GLN 72 N 0.46 0.86 -0.59 0.00 1.08 -0.96 -2.07 115.11 113.89 3kyo h GLN 72 Ca 0.17 -0.23 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3kyo h GLN 72 Cb 0.05 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 3kyo h GLN 72 CO -0.10 0.85 0.36 1.15 -0.95 0.00 0.00 178.83 180.14 3kyo h THR 73 N 0.74 1.07 0.00 -0.54 2.02 -0.71 -1.96 112.91 113.53 3kyo h THR 73 Ca 0.16 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 3kyo h THR 73 Cb 0.41 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3kyo h THR 73 CO 0.01 0.13 -0.42 0.44 0.37 0.00 0.00 175.52 176.05 3kyo h ASP 74 N 0.71 0.00 -0.36 4.18 5.19 -0.93 -0.67 116.42 124.54 3kyo h ASP 74 Ca 0.24 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.50 3kyo h ASP 74 Cb 0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3kyo h ASP 74 CO -0.10 0.42 -0.33 0.03 -3.12 0.00 0.00 179.24 176.14 3kyo h ARG 75 N 0.00 0.87 -0.64 3.56 3.08 -1.18 -0.30 114.38 119.77 3kyo h ARG 75 Ca -0.00 -0.45 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 3kyo h ARG 75 Cb 0.95 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 3kyo h ARG 75 CO 0.05 1.09 0.09 0.52 -1.07 0.00 0.00 179.97 180.66 3kyo h MET 76 N 0.67 1.06 -0.55 0.04 2.86 -0.89 -2.93 114.93 115.20 3kyo h MET 76 Ca 0.06 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 3kyo h MET 76 Cb 0.92 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3kyo h MET 76 CO 0.08 0.98 0.14 -0.91 1.06 0.00 0.00 176.91 178.27 3kyo h ASN 77 N 1.00 0.77 -0.72 1.22 2.35 -0.70 -1.15 115.58 118.34 3kyo h ASN 77 Ca 0.20 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3kyo h ASN 77 Cb 0.45 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3kyo h ASN 77 CO 0.01 0.75 0.48 -0.07 -1.65 0.00 0.00 177.43 176.95 3kyo h LEU 78 N 0.80 0.83 0.30 1.61 3.38 -0.91 -0.70 115.31 120.62 3kyo h LEU 78 Ca 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kyo h LEU 78 Cb 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kyo h LEU 78 CO -0.00 0.60 -0.46 1.56 0.09 0.00 0.00 178.44 180.22 3kyo h GLN 79 N 0.98 -0.77 -0.63 1.13 1.08 -1.14 -2.24 115.11 113.52 3kyo h GLN 79 Ca 0.27 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.64 3kyo h GLN 79 Cb -0.11 0.18 -0.12 0.00 -0.05 0.00 0.00 27.48 27.38 3kyo h GLN 79 CO -0.06 -0.51 -0.20 1.15 -0.95 0.00 0.00 178.83 178.26 3kyo h THR 80 N -0.80 0.31 -0.48 -0.54 2.02 -0.94 -2.16 112.91 110.32 3kyo h THR 80 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3kyo h THR 80 Cb 0.74 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3kyo h THR 80 CO -0.15 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.84 3kyo h LEU 81 N -0.04 0.64 -0.79 2.58 3.38 -1.07 0.13 115.31 120.14 3kyo h LEU 81 Ca 0.29 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.26 3kyo h LEU 81 Cb 0.50 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3kyo h LEU 81 CO -0.67 0.60 0.46 -0.09 0.09 0.00 0.00 178.44 178.83 3kyo h ARG 82 N 0.69 0.79 -0.04 1.13 2.43 -0.78 -0.62 114.38 117.98 3kyo h ARG 82 Ca 0.16 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kyo h ARG 82 Cb 0.18 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kyo h ARG 82 CO -0.01 0.52 0.01 0.78 -1.51 0.00 0.00 179.97 179.76 3kyo h GLY 83 N 0.81 0.06 1.47 2.80 0.00 -0.59 -0.58 103.07 107.04 3kyo h GLY 83 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3kyo h GLY 83 CO -0.21 0.03 0.35 -0.97 0.00 0.00 0.00 176.54 175.75 3kyo h TYR 84 N -0.14 0.67 -0.59 5.60 0.05 -0.37 -3.01 116.97 119.19 3kyo h TYR 84 Ca 0.01 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3kyo h TYR 84 Cb 0.21 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3kyo h TYR 84 CO -0.01 0.43 0.00 0.66 -1.05 0.00 0.00 178.16 178.19 3kyo n TYR 85 N -4.45 0.78 -3.72 4.88 4.02 -0.28 -4.94 117.16 113.44 3kyo n TYR 85 Ca 0.05 -0.39 -0.23 0.00 -0.01 0.00 0.00 57.90 57.32 3kyo n TYR 85 Cb 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.40 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 1.43 -1.90 -4.69 7.72 3.02 -0.54 -4.99 115.26 115.31 3kyo n ASN 86 Ca 0.22 -0.88 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 3kyo n ASN 86 Cb 0.57 -3.82 -0.08 0.00 -0.61 0.00 0.00 39.78 35.83 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 -6.00 2.77 0.86 3.52 -0.21 -0.34 -5.04 119.66 115.22 3kyo s GLN 87 Ca 0.10 -0.64 -0.12 0.00 0.02 0.00 0.00 55.36 54.72 3kyo s GLN 87 Cb -0.03 -2.66 0.14 0.00 1.00 0.00 0.00 33.01 31.46 3kyo s GLN 87 CO 0.83 0.61 1.21 -1.54 -2.12 0.00 0.00 175.29 174.28 3kyo s SER 88 N -1.71 3.82 0.00 5.90 1.04 -1.26 -4.68 113.70 116.80 3kyo s SER 88 Ca 0.21 0.33 0.28 0.00 0.48 0.00 0.00 55.95 57.25 3kyo s SER 88 Cb -0.12 -0.60 1.66 0.00 0.10 0.00 0.00 66.02 67.07 3kyo s SER 88 CO 0.12 -2.28 2.02 -0.62 0.98 0.00 0.00 173.24 173.45 3kyo n GLU 89 N -3.43 0.90 0.06 4.02 1.02 -1.26 -4.06 120.64 117.89 3kyo n GLU 89 Ca 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 3kyo n GLU 89 Cb 0.60 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.70 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 3.76 0.97 -2.87 0.62 0.00 -2.00 -3.44 119.26 116.30 3kyo h ALA 90 Ca 0.00 -0.45 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 3kyo h ALA 90 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 3kyo h ALA 90 CO 0.00 0.64 -0.53 -1.54 0.00 0.00 0.00 179.25 177.82 3kyo s SER 91 N -6.88 6.01 0.20 0.00 1.04 -1.26 -4.79 113.70 108.02 3kyo s SER 91 Ca -0.05 0.36 -0.28 0.00 0.48 0.00 0.00 55.95 56.45 3kyo s SER 91 Cb 0.13 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.29 3kyo s SER 91 CO 0.79 0.39 0.88 -0.55 0.98 0.00 0.00 173.24 175.74 3kyo s SER 92 N -0.95 7.54 0.10 7.02 0.15 -1.26 -4.72 113.70 121.59 3kyo s SER 92 Ca 0.14 1.82 0.02 0.00 0.70 0.00 0.00 55.95 58.64 3kyo s SER 92 Cb -0.12 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 3kyo s SER 92 CO 0.03 0.15 -0.07 -1.00 1.20 0.00 0.00 173.24 173.56 3kyo s HIS 93 N -1.04 0.93 -0.07 3.44 3.76 -1.26 -4.95 115.29 116.10 3kyo s HIS 93 Ca 0.40 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3kyo s HIS 93 Cb -0.25 -0.53 0.01 0.00 1.11 0.00 0.00 32.58 32.93 3kyo s HIS 93 CO 0.30 -0.13 -0.13 0.99 -0.85 0.00 0.00 174.74 174.93 3kyo s THR 94 N -3.58 1.17 -0.16 1.30 2.01 -1.26 -0.92 115.64 114.19 3kyo s THR 94 Ca 0.12 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.62 3kyo s THR 94 Cb 0.05 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 3kyo s THR 94 CO -0.04 0.36 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.88 3kyo s LEU 95 N 0.64 2.48 0.17 4.42 2.96 0.11 -0.41 118.68 129.05 3kyo s LEU 95 Ca -0.15 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.38 3kyo s LEU 95 Cb -0.16 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3kyo s LEU 95 CO 0.04 0.07 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.91 3kyo s GLN 96 N 0.88 1.93 -0.02 1.98 -0.21 -0.34 -0.31 119.66 123.57 3kyo s GLN 96 Ca -0.04 -1.28 -0.10 0.00 0.02 0.00 0.00 55.36 53.96 3kyo s GLN 96 Cb -0.15 -2.11 0.01 0.00 1.00 0.00 0.00 33.01 31.76 3kyo s GLN 96 CO -0.01 0.44 0.21 -0.46 -2.12 0.00 0.00 175.29 173.35 3kyo s TRP 97 N -1.59 -0.08 -0.03 0.91 -0.00 -0.45 -1.11 118.94 116.59 3kyo s TRP 97 Ca 0.23 0.11 -0.08 0.00 -0.00 0.00 0.00 56.10 56.36 3kyo s TRP 97 Cb -0.09 0.02 0.01 0.00 -0.00 0.00 0.00 33.47 33.41 3kyo s TRP 97 CO 0.13 -0.30 0.19 1.41 -0.00 0.00 0.00 176.95 178.38 3kyo s MET 98 N -1.14 0.41 -0.01 5.86 -2.45 -0.31 -1.15 119.30 120.51 3kyo s MET 98 Ca -0.12 -0.10 -0.04 0.00 -1.25 0.00 0.00 55.69 54.18 3kyo s MET 98 Cb -0.06 0.18 -0.00 0.00 1.25 0.00 0.00 34.83 36.20 3kyo s MET 98 CO 0.02 -0.09 0.08 -1.50 1.05 0.00 0.00 175.02 174.58 3kyo s ILE 99 N -0.78 0.06 -0.06 10.11 2.07 -0.24 -0.99 121.20 131.36 3kyo s ILE 99 Ca -0.09 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 3kyo s ILE 99 Cb -0.05 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.26 3kyo s ILE 99 CO 0.01 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.37 3kyo n GLY 100 N 2.02 -1.11 2.85 1.50 0.00 -0.63 -1.00 105.19 108.83 3kyo n GLY 100 Ca -0.20 -1.00 -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 0.24 4.77 -0.00 0.00 1.01 -0.11 -1.16 116.67 121.42 3kyo s ASP 102 Ca -0.02 0.01 -0.14 0.00 0.71 0.00 0.00 52.55 53.11 3kyo s ASP 102 Cb -0.03 -1.27 -0.06 0.00 1.01 0.00 0.00 42.92 42.58 3kyo s ASP 102 CO -0.01 0.35 0.39 -0.76 0.21 0.00 0.00 175.17 175.36 3kyo s LEU 103 N -0.75 4.47 0.37 1.23 1.02 -0.07 -0.06 118.68 124.88 3kyo s LEU 103 Ca 0.11 0.93 -0.25 0.00 0.02 0.00 0.00 54.13 54.94 3kyo s LEU 103 Cb -0.11 -2.57 -0.10 0.00 0.02 0.00 0.00 46.19 43.43 3kyo s LEU 103 CO 0.02 0.33 1.00 -0.83 0.02 0.00 0.00 176.35 176.88 3kyo s GLY 104 N -1.10 2.73 -0.63 -3.19 0.00 0.20 -4.43 107.32 100.89 3kyo s GLY 104 Ca 0.24 0.60 -0.21 0.00 0.00 0.00 0.00 44.72 45.34 3kyo s GLY 104 CO 0.13 1.02 0.86 -1.35 0.00 0.00 0.00 173.10 173.76 3kyo s SER 105 N -1.64 6.18 0.19 1.64 1.04 -1.26 -3.50 113.70 116.35 3kyo s SER 105 Ca 0.55 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3kyo s SER 105 Cb -0.19 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3kyo s SER 105 CO 0.25 -1.31 0.07 -1.81 0.98 0.00 0.00 173.24 171.42 3kyo s ASP 106 N 3.66 0.79 -0.25 7.02 1.01 -1.26 -5.06 116.67 122.58 3kyo s ASP 106 Ca 0.18 -1.28 0.16 0.00 0.71 0.00 0.00 52.55 52.31 3kyo s ASP 106 Cb -0.20 0.22 0.48 0.00 1.01 0.00 0.00 42.92 44.43 3kyo s ASP 106 CO 0.08 -0.70 1.15 0.61 0.21 0.00 0.00 175.17 176.52 3kyo n GLY 107 N -0.27 3.83 3.96 0.21 0.00 -1.23 -5.08 105.19 106.60 3kyo n GLY 107 Ca -0.03 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.45 2.29 0.13 1.61 0.52 -1.26 -4.70 118.95 114.09 3kyo s ARG 108 Ca 0.38 -1.83 -0.32 0.00 -0.52 0.00 0.00 55.73 53.44 3kyo s ARG 108 Cb 0.36 -2.35 -0.11 0.00 0.52 0.00 0.00 34.95 33.37 3kyo s ARG 108 CO -0.02 -0.71 1.80 -0.11 0.02 0.00 0.00 175.30 176.28 3kyo n LEU 109 N -1.97 3.90 -0.06 2.53 7.94 -1.26 0.59 117.00 128.67 3kyo n LEU 109 Ca 0.06 1.01 -0.22 0.00 -1.11 0.00 0.00 56.01 55.75 3kyo n LEU 109 Cb 0.63 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.93 3kyo n LEU 109 CO 0.39 0.11 -0.73 0.00 -1.11 0.00 0.00 177.39 176.06 3kyo n ILE 110 N 4.48 1.65 -3.72 1.96 3.06 0.92 -4.63 119.36 123.07 3kyo n ILE 110 Ca 0.18 -0.35 -0.13 0.00 -2.50 0.00 0.00 62.75 59.94 3kyo n ILE 110 Cb 0.35 -1.87 -0.10 0.00 0.54 0.00 0.00 39.64 38.57 3kyo n ILE 110 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 3kyo s ARG 111 N -2.47 0.53 0.25 9.51 3.52 -1.17 -5.00 118.95 124.13 3kyo s ARG 111 Ca -0.26 0.64 0.10 0.00 -0.13 0.00 0.00 55.73 56.08 3kyo s ARG 111 Cb 0.07 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 3kyo s ARG 111 CO 0.67 -0.07 -0.11 0.20 -0.81 0.00 0.00 175.30 175.18 3kyo s GLY 112 N 0.29 1.76 -0.07 8.12 0.00 -1.26 -0.93 107.32 115.22 3kyo s GLY 112 Ca -0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 42.90 3kyo s GLY 112 CO 0.00 -1.77 0.28 -0.19 0.00 0.00 0.00 173.10 171.42 3kyo s TYR 113 N -2.22 -0.24 -0.14 1.90 1.51 -0.56 -4.75 117.35 112.84 3kyo s TYR 113 Ca 0.29 0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 56.81 3kyo s TYR 113 Cb -0.06 0.09 0.05 0.00 -0.11 0.00 0.00 41.96 41.92 3kyo s TYR 113 CO 0.16 -0.23 0.34 -2.00 -1.11 0.00 0.00 175.55 172.71 3kyo s GLU 114 N -0.41 0.32 -0.02 -0.62 2.12 -1.26 -1.60 118.70 117.23 3kyo s GLU 114 Ca -0.05 0.66 -0.09 0.00 0.36 0.00 0.00 54.97 55.84 3kyo s GLU 114 Cb -0.03 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.33 3kyo s GLU 114 CO 0.02 -0.15 0.20 1.03 -0.54 0.00 0.00 175.26 175.82 3kyo s ARG 115 N 1.22 0.49 0.12 4.30 0.52 -0.17 -1.16 118.95 124.28 3kyo s ARG 115 Ca -0.08 -0.22 0.10 0.00 -0.52 0.00 0.00 55.73 55.01 3kyo s ARG 115 Cb -0.09 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 3kyo s ARG 115 CO -0.10 -0.12 -0.25 0.71 0.02 0.00 0.00 175.30 175.57 3kyo s TYR 116 N -1.09 2.13 0.01 -0.53 1.51 0.61 -1.17 117.35 118.82 3kyo s TYR 116 Ca -0.12 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 3kyo s TYR 116 Cb -0.06 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3kyo s TYR 116 CO 0.02 0.28 -0.06 0.00 -1.11 0.00 0.00 175.55 174.68 3kyo s ALA 117 N -1.08 0.50 -0.12 3.71 0.00 -0.27 -0.87 121.76 123.63 3kyo s ALA 117 Ca 0.11 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.68 3kyo s ALA 117 Cb -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3kyo s ALA 117 CO 0.05 0.07 -0.20 -0.47 0.00 0.00 0.00 175.76 175.21 3kyo s TYR 118 N -0.56 2.34 -1.59 0.00 5.04 -0.33 -1.20 117.35 121.05 3kyo s TYR 118 Ca -0.02 -1.09 -0.14 0.00 -2.44 0.00 0.00 57.07 53.38 3kyo s TYR 118 Cb -0.05 -1.62 0.11 0.00 0.35 0.00 0.00 41.96 40.75 3kyo s TYR 118 CO 0.00 -0.50 0.84 -0.25 -1.34 0.00 0.00 175.55 174.30 3kyo n ASP 119 N 3.96 -3.61 0.00 4.32 8.00 0.45 -2.11 116.55 127.56 3kyo n ASP 119 Ca -0.20 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3kyo n ASP 119 Cb 0.52 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 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 0.62 3.20 0.44 0.00 -1.26 -5.03 105.19 101.58 3kyo n GLY 120 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 1.46 0.14 1.61 1.02 -0.90 -5.09 119.74 117.83 3kyo s LYS 121 Ca 0.00 -0.73 -0.34 0.00 0.02 0.00 0.00 55.97 54.92 3kyo s LYS 121 Cb 0.00 -1.45 -0.17 0.00 -0.52 0.00 0.00 37.83 35.69 3kyo s LYS 121 CO 0.00 0.39 1.03 -0.25 -0.92 0.00 0.00 175.35 175.61 3kyo n ASP 122 N 2.42 0.60 0.03 2.83 8.00 -1.26 -1.19 116.55 127.99 3kyo n ASP 122 Ca -0.15 1.14 -0.00 0.00 0.71 0.00 0.00 54.79 56.49 3kyo n ASP 122 Cb 0.54 -1.10 -0.00 0.00 -0.02 0.00 0.00 41.12 40.53 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 -3.83 1.24 4.19 -0.05 -4.72 117.16 115.24 3kyo n TYR 123 Ca 0.17 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.25 3kyo n TYR 123 Cb 0.21 -0.02 -0.13 0.00 0.49 0.00 0.00 39.34 39.89 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 -6.59 1.57 -0.02 2.98 2.96 -1.09 -0.66 118.68 117.83 3kyo s LEU 124 Ca -0.01 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3kyo s LEU 124 Cb 0.00 0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.98 3kyo s LEU 124 CO 0.01 -0.04 0.06 0.00 -1.32 0.00 0.00 176.35 175.06 3kyo s ALA 125 N 0.19 -0.14 0.00 5.97 0.00 -0.36 -0.28 121.76 127.14 3kyo s ALA 125 Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 3kyo s ALA 125 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3kyo s ALA 125 CO -0.01 -0.05 1.33 -1.17 0.00 0.00 0.00 175.76 175.87 3kyo s LEU 126 N -0.17 4.32 0.83 0.00 2.96 -0.30 -0.73 118.68 125.59 3kyo s LEU 126 Ca -0.02 2.05 -0.11 0.00 -0.22 0.00 0.00 54.13 55.83 3kyo s LEU 126 Cb -0.02 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.20 3kyo s LEU 126 CO 0.00 -0.65 1.09 0.20 -1.32 0.00 0.00 176.35 175.67 3kyo s ASN 127 N 1.63 4.08 0.61 3.68 0.02 0.51 -4.46 114.94 121.01 3kyo s ASN 127 Ca 0.61 1.56 0.33 0.00 -1.02 0.00 0.00 52.86 54.34 3kyo s ASN 127 Cb -0.30 -2.27 1.94 0.00 0.02 0.00 0.00 41.25 40.64 3kyo s ASN 127 CO 0.26 -2.26 2.28 -0.08 0.02 0.00 0.00 177.10 177.31 3kyo h GLU 128 N -1.29 0.00 0.00 -0.60 4.81 -1.88 -0.50 114.58 115.12 3kyo h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kyo h GLU 128 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3kyo h GLU 128 CO 0.55 0.00 0.00 0.38 -0.73 0.00 0.00 179.01 179.21 3kyo h ASP 129 N 0.00 0.00 -2.35 1.04 3.04 -1.91 -3.45 116.42 112.78 3kyo h ASP 129 Ca -0.00 0.00 -0.41 0.00 -3.24 0.00 0.00 57.03 53.38 3kyo h ASP 129 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.22 3kyo h ASP 129 CO 0.00 0.00 -0.48 0.18 -2.04 0.00 0.00 179.24 176.90 3kyo n LEU 130 N -2.57 -1.77 0.00 0.15 4.77 -0.20 -4.77 117.00 112.61 3kyo n LEU 130 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3kyo n LEU 130 Cb 0.07 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.27 3kyo n LEU 130 CO 0.14 -0.51 -0.13 0.54 -1.33 0.00 0.00 177.39 176.10 3kyo n ARG 131 N -2.78 1.70 -4.30 3.23 1.74 -1.26 -4.56 116.66 110.42 3kyo n ARG 131 Ca -0.23 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.69 3kyo n ARG 131 Cb 0.68 -0.63 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.32 1.46 0.08 0.55 1.04 -1.26 -4.89 113.70 109.35 3kyo s SER 132 Ca 0.00 -1.25 0.09 0.00 0.48 0.00 0.00 55.95 55.27 3kyo s SER 132 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 3kyo s SER 132 CO 0.00 -0.59 -0.22 0.26 0.98 0.00 0.00 173.24 173.67 3kyo s TRP 133 N -3.59 2.44 -0.21 5.02 0.52 -1.26 -0.36 118.94 121.50 3kyo s TRP 133 Ca 0.30 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 56.04 3kyo s TRP 133 Cb 0.06 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 3kyo s TRP 133 CO 0.09 0.27 0.00 0.99 0.02 0.00 0.00 176.95 178.32 3kyo s THR 134 N -0.98 3.88 -0.13 2.01 2.01 0.10 -4.90 115.64 117.62 3kyo s THR 134 Ca 0.15 -0.33 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 3kyo s THR 134 Cb -0.10 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3kyo s THR 134 CO 0.06 0.41 0.05 0.00 -0.69 0.00 0.00 174.62 174.44 3kyo s ALA 135 N 1.24 3.42 -0.27 7.40 0.00 -1.26 -1.22 121.76 131.07 3kyo s ALA 135 Ca 0.03 -0.75 0.18 0.00 0.00 0.00 0.00 51.96 51.43 3kyo s ALA 135 Cb -0.15 -1.74 0.16 0.00 0.00 0.00 0.00 23.12 21.39 3kyo s ALA 135 CO 0.01 0.41 1.48 0.00 0.00 0.00 0.00 175.76 177.66 3kyo h ALA 136 N 5.82 0.79 -2.50 0.00 0.00 -1.18 -3.46 119.26 118.74 3kyo h ALA 136 Ca -0.45 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.19 3kyo h ALA 136 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kyo h ALA 136 CO 0.62 0.38 0.20 -0.40 0.00 0.00 0.00 179.25 180.05 3kyo n ASP 137 N -3.16 -1.31 0.26 0.00 5.68 -1.26 -5.03 116.55 111.73 3kyo n ASP 137 Ca 0.02 -1.87 0.13 0.00 -0.50 0.00 0.00 54.79 52.58 3kyo n ASP 137 Cb 0.66 2.17 0.71 0.00 -1.14 0.00 0.00 41.12 43.51 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 1.59 0.48 -0.03 2.12 1.35 -1.99 -1.40 112.91 115.04 3kyo h THR 138 Ca -0.19 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 3kyo h THR 138 Cb 0.73 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3kyo h THR 138 CO 0.25 0.12 -0.06 0.00 -0.25 0.00 0.00 175.52 175.57 3kyo h ALA 139 N 1.88 0.05 0.00 6.62 0.00 -1.97 -3.15 119.26 122.69 3kyo h ALA 139 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kyo h ALA 139 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kyo h ALA 139 CO 0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 179.25 179.00 3kyo h ALA 140 N 0.45 1.65 -0.19 0.00 0.00 -1.76 -1.14 119.26 118.27 3kyo h ALA 140 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kyo h ALA 140 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kyo h ALA 140 CO 0.01 0.19 0.07 1.96 0.00 0.00 0.00 179.25 181.48 3kyo h GLN 141 N 0.00 0.26 0.33 0.00 4.20 -1.23 0.22 115.11 118.90 3kyo h GLN 141 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3kyo h GLN 141 Cb 0.28 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kyo h GLN 141 CO 0.02 0.23 -0.16 0.82 -0.67 0.00 0.00 178.83 179.07 3kyo h ILE 142 N 0.27 0.69 -0.63 2.54 1.08 -1.17 -1.49 117.51 118.79 3kyo h ILE 142 Ca 0.07 -0.20 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 3kyo h ILE 142 Cb 0.08 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 3kyo h ILE 142 CO -0.01 0.04 0.27 0.28 -0.69 0.00 0.00 178.15 178.05 3kyo h SER 143 N -0.56 0.32 -0.62 1.72 0.02 -1.31 -1.08 113.55 112.04 3kyo h SER 143 Ca -0.05 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3kyo h SER 143 Cb 0.41 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 3kyo h SER 143 CO 0.08 0.19 0.36 0.50 -1.14 0.00 0.00 176.83 176.81 3kyo h LYS 144 N 0.48 0.67 -0.71 3.45 3.64 -0.45 -1.46 116.57 122.20 3kyo h LYS 144 Ca 0.31 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3kyo h LYS 144 Cb 0.35 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3kyo h LYS 144 CO -0.28 0.44 0.44 0.00 -2.27 0.00 0.00 179.45 177.79 3kyo h ARG 145 N 0.69 0.83 -0.46 1.90 2.47 -0.47 -0.07 114.38 119.28 3kyo h ARG 145 Ca 0.27 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 59.00 3kyo h ARG 145 Cb 0.10 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.18 3kyo h ARG 145 CO -0.14 0.55 0.13 0.87 0.56 0.00 0.00 179.97 181.94 3kyo h LYS 146 N 0.86 0.27 -0.64 0.04 1.57 -0.92 -1.46 116.57 116.29 3kyo h LYS 146 Ca 0.28 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3kyo h LYS 146 Cb 0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3kyo h LYS 146 CO -0.11 0.18 0.19 0.00 -0.57 0.00 0.00 179.45 179.13 3kyo h GLU 148 N 0.94 -0.03 -0.96 0.00 5.08 -0.93 -0.05 114.58 118.62 3kyo h GLU 148 Ca 0.21 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 3kyo h GLU 148 Cb 0.28 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 3kyo h GLU 148 CO -0.01 0.11 0.61 0.00 -1.00 0.00 0.00 179.01 178.73 3kyo h ALA 149 N 0.80 1.57 -0.16 3.43 0.00 -1.08 -1.67 119.26 122.15 3kyo h ALA 149 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kyo h ALA 149 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kyo h ALA 149 CO 0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3kyo n ALA 150 N -2.38 2.52 -3.85 0.00 0.00 -0.76 -4.94 120.51 111.10 3kyo n ALA 150 Ca 0.17 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 3kyo n ALA 150 Cb 0.33 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 0.43 -3.00 -0.18 0.00 3.02 -0.63 -4.88 115.26 110.01 3kyo n ASN 151 Ca 0.17 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.81 3kyo n ASN 151 Cb 0.36 -3.85 0.01 0.00 -0.61 0.00 0.00 39.78 35.69 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 -1.97 1.25 -0.90 2.41 2.07 -1.27 -3.01 116.25 114.83 3kyo h VAL 152 Ca -0.60 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.02 3kyo h VAL 152 Cb 1.37 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3kyo h VAL 152 CO 0.63 0.34 0.60 0.00 0.02 0.00 0.00 177.57 179.15 3kyo h ALA 153 N 0.98 1.41 -0.71 1.67 0.00 -1.89 0.07 119.26 120.78 3kyo h ALA 153 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kyo h ALA 153 Cb 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kyo h ALA 153 CO 0.01 0.51 0.22 1.49 0.00 0.00 0.00 179.25 181.48 3kyo h GLU 154 N 1.15 1.11 -0.15 0.00 4.81 -1.77 0.11 114.58 119.85 3kyo h GLU 154 Ca 0.35 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kyo h GLU 154 Cb -0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3kyo h GLU 154 CO -0.10 0.95 0.05 1.96 -0.73 0.00 0.00 179.01 181.14 3kyo h GLN 155 N 1.05 0.24 -0.71 1.92 4.20 -1.30 -2.55 115.11 117.96 3kyo h GLN 155 Ca 0.23 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 3kyo h GLN 155 Cb 0.30 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3kyo h GLN 155 CO -0.01 0.36 0.23 0.00 -0.67 0.00 0.00 178.83 178.75 3kyo h ARG 156 N 0.06 1.09 -0.80 1.46 2.47 -0.77 -2.39 114.38 115.50 3kyo h ARG 156 Ca 0.05 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3kyo h ARG 156 Cb 0.23 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 3kyo h ARG 156 CO -0.00 0.92 0.49 -0.09 0.56 0.00 0.00 179.97 181.85 3kyo h ARG 157 N 1.05 1.07 -0.71 0.04 2.43 -0.71 0.17 114.38 117.73 3kyo h ARG 157 Ca 0.23 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3kyo h ARG 157 Cb 0.27 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3kyo h ARG 157 CO -0.01 0.74 0.31 0.00 -1.51 0.00 0.00 179.97 179.51 3kyo h ALA 158 N 1.27 0.91 -0.08 2.80 0.00 -1.28 -0.90 119.26 121.98 3kyo h ALA 158 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kyo h ALA 158 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3kyo h ALA 158 CO -0.06 0.50 0.04 -0.92 0.00 0.00 0.00 179.25 178.82 3kyo h TYR 159 N 1.00 0.10 -0.55 0.00 3.20 -0.80 -1.61 116.97 118.31 3kyo h TYR 159 Ca 0.24 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3kyo h TYR 159 Cb 0.16 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3kyo h TYR 159 CO 0.01 0.13 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.50 3kyo h LEU 160 N 0.05 1.03 -0.20 2.82 3.38 -0.38 -0.97 115.31 121.05 3kyo h LEU 160 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3kyo h LEU 160 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kyo h LEU 160 CO -0.00 1.13 -0.06 -0.33 0.09 0.00 0.00 178.44 179.27 3kyo h GLU 161 N 0.92 0.00 0.00 1.13 5.08 -1.20 -3.31 114.58 117.20 3kyo h GLU 161 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3kyo h GLU 161 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3kyo h GLU 161 CO 0.05 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 3kyo n GLY 162 N 0.97 0.49 0.36 -3.84 0.00 -0.61 -4.70 105.19 97.87 3kyo n GLY 162 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 0.77 0.03 2.61 2.02 -1.61 -0.90 112.91 115.83 3kyo h THR 163 Ca 0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3kyo h THR 163 Cb 0.00 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3kyo h THR 163 CO 0.00 0.14 -0.01 0.00 0.37 0.00 0.00 175.52 176.02 3kyo h VAL 165 N -0.23 1.29 -0.47 0.00 2.07 -1.49 -0.32 116.25 117.10 3kyo h VAL 165 Ca -0.00 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 3kyo h VAL 165 Cb 0.22 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3kyo h VAL 165 CO 0.01 0.46 0.19 -0.33 0.02 0.00 0.00 177.57 177.92 3kyo h GLU 166 N 0.57 0.70 0.00 1.57 5.08 -0.95 -1.47 114.58 120.08 3kyo h GLU 166 Ca 0.07 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 3kyo h GLU 166 Cb 0.81 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3kyo h GLU 166 CO 0.07 0.63 -0.77 -1.49 -1.00 0.00 0.00 179.01 176.45 3kyo h TRP 167 N 0.61 0.00 -0.47 4.33 4.06 -0.85 -2.58 115.95 121.05 3kyo h TRP 167 Ca 0.16 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 3kyo h TRP 167 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3kyo h TRP 167 CO 0.00 0.77 0.28 1.25 -3.56 0.00 0.00 178.44 177.18 3kyo h LEU 168 N 0.00 0.57 -0.88 -4.49 5.85 -0.82 -1.37 115.31 114.17 3kyo h LEU 168 Ca -0.01 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3kyo h LEU 168 Cb 1.36 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 3kyo h LEU 168 CO 0.10 0.46 0.54 0.45 -0.34 0.00 0.00 178.44 179.65 3kyo h HIS 169 N 0.63 0.99 -0.04 1.25 3.86 -1.12 -0.95 115.15 119.77 3kyo h HIS 169 Ca 0.17 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3kyo h HIS 169 Cb -0.00 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 3kyo h HIS 169 CO -0.03 0.48 0.02 -0.09 0.86 0.00 0.00 177.93 179.16 3kyo h ARG 170 N 0.96 0.06 -0.83 2.45 2.43 -1.02 -1.84 114.38 116.58 3kyo h ARG 170 Ca 0.39 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 3kyo h ARG 170 Cb 0.23 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3kyo h ARG 170 CO -0.19 0.20 0.46 1.88 -1.51 0.00 0.00 179.97 180.80 3kyo h TYR 171 N -0.10 1.14 -0.97 2.20 0.05 -1.08 0.20 116.97 118.41 3kyo h TYR 171 Ca 0.01 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3kyo h TYR 171 Cb 0.16 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 37.49 3kyo h TYR 171 CO -0.02 0.79 0.63 -0.07 -1.05 0.00 0.00 178.16 178.44 3kyo h LEU 172 N 1.16 1.13 0.26 3.88 3.38 -1.09 0.26 115.31 124.29 3kyo h LEU 172 Ca 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3kyo h LEU 172 Cb 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 3kyo h LEU 172 CO -0.05 0.83 -0.13 -0.08 0.09 0.00 0.00 178.44 179.11 3kyo h GLU 173 N 1.32 -0.34 -0.86 1.13 4.57 -0.86 -2.18 114.58 117.36 3kyo h GLU 173 Ca 0.35 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.65 3kyo h GLU 173 Cb -0.13 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 3kyo h GLU 173 CO -0.07 0.01 0.56 -0.91 -1.18 0.00 0.00 179.01 177.42 3kyo h ASN 174 N -0.80 0.78 -0.66 1.04 2.35 -0.84 -2.65 115.58 114.81 3kyo h ASN 174 Ca -0.04 0.02 -0.31 0.00 -0.55 0.00 0.00 56.30 55.42 3kyo h ASN 174 Cb 0.51 -0.15 -0.18 0.00 0.05 0.00 0.00 38.32 38.55 3kyo h ASN 174 CO 0.06 0.47 0.27 0.61 -1.65 0.00 0.00 177.43 177.19 3kyo n GLY 175 N -1.41 4.52 0.22 2.83 0.00 0.90 -4.83 105.19 107.41 3kyo n GLY 175 Ca 0.14 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 1.28 0.24 -0.40 1.61 3.64 -1.01 0.36 116.57 122.29 3kyo h LYS 176 Ca 0.38 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 3kyo h LYS 176 Cb 2.22 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.97 3kyo h LYS 176 CO 0.71 0.16 -0.12 0.93 -2.27 0.00 0.00 179.45 178.87 3kyo h GLU 177 N 0.25 0.71 0.20 1.90 4.39 -1.87 0.53 114.58 120.69 3kyo h GLU 177 Ca 0.29 -0.23 -0.31 0.00 0.34 0.00 0.00 59.36 59.45 3kyo h GLU 177 Cb 0.41 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3kyo h GLU 177 CO -0.37 0.80 -1.37 1.98 -1.16 0.00 0.00 179.01 178.89 3kyo h MET 178 N 0.65 0.41 0.00 2.33 4.05 -1.74 -3.39 114.93 117.23 3kyo h MET 178 Ca 0.11 -0.71 -0.22 0.00 -0.28 0.00 0.00 59.70 58.61 3kyo h MET 178 Cb 0.57 0.26 -0.04 0.00 -0.80 0.00 0.00 31.60 31.59 3kyo h MET 178 CO 0.04 1.34 -1.93 1.28 0.23 0.00 0.00 176.91 177.86 3kyo n LEU 179 N -3.63 0.35 -2.20 3.39 4.77 0.12 -4.23 117.00 115.57 3kyo n LEU 179 Ca -0.13 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 3kyo n LEU 179 Cb 1.07 0.23 0.06 0.00 -2.33 0.00 0.00 43.42 42.45 3kyo n LEU 179 CO 0.57 0.27 0.98 0.00 -1.33 0.00 0.00 177.39 177.88 3kyo n GLN 180 N -2.71 3.02 -4.08 3.23 6.02 0.16 -4.94 117.38 118.07 3kyo n GLN 180 Ca -0.18 -3.61 -0.23 0.00 -0.01 0.00 0.00 57.00 52.97 3kyo n GLN 180 Cb 0.92 -2.28 -0.06 0.00 1.02 0.00 0.00 30.24 29.84 3kyo n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3kyo s ARG 181 N -3.73 2.41 -0.23 -1.09 1.70 -1.26 -4.93 118.95 111.81 3kyo s ARG 181 Ca 0.60 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 54.31 3kyo s ARG 181 Cb 0.47 -2.21 0.09 0.00 -0.57 0.00 0.00 34.95 32.73 3kyo s ARG 181 CO 0.01 0.13 0.14 0.00 -1.08 0.00 0.00 175.30 174.50 3kyo s ALA 182 N -2.40 0.32 -0.29 7.88 0.00 -1.26 -4.52 121.76 121.50 3kyo s ALA 182 Ca 0.37 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.59 3kyo s ALA 182 Cb -0.03 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3kyo s ALA 182 CO 0.23 -1.42 0.62 -0.51 0.00 0.00 0.00 175.76 174.68 3kyo s ASP 183 N 2.17 6.52 0.54 0.00 1.01 0.39 -4.63 116.67 122.67 3kyo s ASP 183 Ca 0.06 0.52 -0.19 0.00 0.71 0.00 0.00 52.55 53.66 3kyo s ASP 183 Cb -0.16 -2.33 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 3kyo s ASP 183 CO -0.23 -0.43 1.08 -2.16 0.21 0.00 0.00 175.17 173.65 3kyo s PRO 184 N 2.55 3.46 0.50 8.23 0.04 -1.26 -1.28 135.00 147.24 3kyo s PRO 184 Ca 0.25 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 3kyo s PRO 184 Cb -0.15 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 3kyo s PRO 184 CO 0.10 -0.73 1.13 -1.25 0.04 0.00 0.00 177.00 176.30 3kyo s PRO 185 N -3.44 3.59 -0.11 0.56 0.04 -1.26 -4.37 135.00 130.00 3kyo s PRO 185 Ca 0.69 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 3kyo s PRO 185 Cb -0.20 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3kyo s PRO 185 CO 0.27 -0.66 0.42 0.15 0.04 0.00 0.00 177.00 177.22 3kyo s LYS 186 N -3.01 4.26 0.06 4.56 1.02 0.86 -4.85 119.74 122.63 3kyo s LYS 186 Ca 0.68 0.35 0.06 0.00 0.02 0.00 0.00 55.97 57.09 3kyo s LYS 186 Cb -0.25 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 3kyo s LYS 186 CO 0.29 0.26 -0.17 0.95 -0.92 0.00 0.00 175.35 175.76 3kyo s THR 187 N 0.33 1.36 0.22 2.17 -4.23 -1.26 -0.37 115.64 113.85 3kyo s THR 187 Ca 0.23 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.31 3kyo s THR 187 Cb -0.15 -1.23 0.04 0.00 1.34 0.00 0.00 72.50 72.51 3kyo s THR 187 CO 0.09 -0.01 0.73 -1.38 -0.54 0.00 0.00 174.62 173.51 3kyo s HIS 188 N -0.98 -0.28 -0.10 3.99 -3.43 -1.06 -4.99 115.29 108.44 3kyo s HIS 188 Ca 0.03 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.25 3kyo s HIS 188 Cb -0.09 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 31.72 3kyo s HIS 188 CO 0.02 -1.05 -0.18 0.08 -2.00 0.00 0.00 174.74 171.62 3kyo s VAL 189 N -3.75 1.63 0.32 -5.38 1.01 -1.26 -0.04 120.40 112.93 3kyo s VAL 189 Ca 0.08 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3kyo s VAL 189 Cb -0.04 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3kyo s VAL 189 CO 0.00 0.47 0.20 0.42 0.00 0.00 0.00 175.10 176.19 3kyo s THR 190 N 0.65 3.47 -0.03 3.92 -4.23 -0.43 -4.87 115.64 114.12 3kyo s THR 190 Ca -0.13 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 3kyo s THR 190 Cb -0.16 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.59 3kyo s THR 190 CO 0.04 -0.22 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.61 3kyo s HIS 191 N -2.33 0.44 -0.10 3.99 5.04 -1.26 -1.35 115.29 119.73 3kyo s HIS 191 Ca 0.38 -0.06 -0.03 0.00 -1.54 0.00 0.00 55.06 53.81 3kyo s HIS 191 Cb -0.05 -0.49 0.05 0.00 0.04 0.00 0.00 32.58 32.13 3kyo s HIS 191 CO 0.24 -0.15 0.10 -1.01 -2.34 0.00 0.00 174.74 171.58 3kyo s HIS 192 N 1.04 0.03 -0.24 3.88 3.76 -0.16 -4.97 115.29 118.63 3kyo s HIS 192 Ca -0.09 0.16 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 3kyo s HIS 192 Cb -0.14 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 3kyo s HIS 192 CO -0.01 -0.33 1.55 -2.14 -0.85 0.00 0.00 174.74 172.96 3kyo s PRO 193 N 2.19 3.80 0.87 8.40 0.02 -1.26 0.80 135.00 149.82 3kyo s PRO 193 Ca 0.04 1.55 -0.09 0.00 0.02 0.00 0.00 61.00 62.53 3kyo s PRO 193 Cb -0.13 -4.01 0.18 0.00 0.02 0.00 0.00 34.50 30.56 3kyo s PRO 193 CO -0.06 -1.28 1.19 0.08 -0.33 0.00 0.00 177.00 176.60 3kyo s VAL 194 N 5.09 2.02 0.22 3.83 1.01 -0.25 -4.92 120.40 127.40 3kyo s VAL 194 Ca 0.68 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 3kyo s VAL 194 Cb -0.23 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3kyo s VAL 194 CO 0.28 0.00 1.09 0.12 0.00 0.00 0.00 175.10 176.59 3kyo s PHE 195 N -3.57 3.61 -0.06 5.22 5.36 -1.26 -4.12 117.98 123.16 3kyo s PHE 195 Ca 0.72 1.65 -0.00 0.00 -0.96 0.00 0.00 56.93 58.34 3kyo s PHE 195 Cb -0.03 -3.27 -0.00 0.00 -0.34 0.00 0.00 43.02 39.38 3kyo s PHE 195 CO 0.49 -0.54 0.06 -0.25 -1.46 0.00 0.00 175.22 173.52 3kyo n ASP 196 N 1.83 -2.36 -2.17 6.13 8.00 -1.26 -4.41 116.55 122.31 3kyo n ASP 196 Ca 0.01 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 3kyo n ASP 196 Cb 0.46 -1.04 -0.01 0.00 -0.02 0.00 0.00 41.12 40.50 3kyo n ASP 196 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kyo n TYR 197 N -1.37 -1.28 -4.64 1.24 4.01 -1.26 -4.92 117.16 108.95 3kyo n TYR 197 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3kyo n TYR 197 Cb 0.50 -2.38 -0.09 0.00 -0.31 0.00 0.00 39.34 37.06 3kyo n TYR 197 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3kyo s GLU 198 N -4.50 2.10 -0.18 -0.72 2.02 -1.26 0.67 118.70 116.82 3kyo s GLU 198 Ca 0.00 -2.24 -0.21 0.00 0.02 0.00 0.00 54.97 52.54 3kyo s GLU 198 Cb 0.00 -1.62 0.06 0.00 0.10 0.00 0.00 34.13 32.66 3kyo s GLU 198 CO 0.00 -0.22 0.58 0.00 0.02 0.00 0.00 175.26 175.63 3kyo s ALA 199 N -2.79 -1.44 -0.15 5.21 0.00 0.09 -1.09 121.76 121.59 3kyo s ALA 199 Ca 0.21 1.50 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 3kyo s ALA 199 Cb 0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 3kyo s ALA 199 CO 0.11 -0.29 0.44 0.99 0.00 0.00 0.00 175.76 177.02 3kyo s THR 200 N -0.02 5.19 -0.20 0.00 2.01 0.24 -1.13 115.64 121.73 3kyo s THR 200 Ca -0.03 0.85 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 3kyo s THR 200 Cb -0.04 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3kyo s THR 200 CO 0.02 0.30 0.02 -0.76 -0.69 0.00 0.00 174.62 173.51 3kyo s LEU 201 N 0.90 3.38 -0.10 4.42 1.43 -0.10 -0.99 118.68 127.62 3kyo s LEU 201 Ca 0.23 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3kyo s LEU 201 Cb -0.15 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3kyo s LEU 201 CO 0.09 0.08 -0.16 -0.60 0.23 0.00 0.00 176.35 175.99 3kyo s ARG 202 N 0.90 2.30 -0.23 1.70 3.52 -0.45 -1.38 118.95 125.30 3kyo s ARG 202 Ca 0.02 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 54.92 3kyo s ARG 202 Cb -0.14 -1.90 -0.05 0.00 -1.56 0.00 0.00 34.95 31.30 3kyo s ARG 202 CO 0.02 -0.01 0.13 0.00 -0.81 0.00 0.00 175.30 174.63 3kyo s TRP 204 N 1.06 2.86 -0.14 0.00 0.52 0.94 -1.52 118.94 122.67 3kyo s TRP 204 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.07 3kyo s TRP 204 Cb -0.14 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3kyo s TRP 204 CO 0.04 0.21 -0.12 0.00 0.02 0.00 0.00 176.95 177.10 3kyo s ALA 205 N -0.58 1.69 0.04 0.98 0.00 0.06 -2.58 121.76 121.37 3kyo s ALA 205 Ca 0.08 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.31 3kyo s ALA 205 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 3kyo s ALA 205 CO 0.02 -0.37 -0.16 -0.51 0.00 0.00 0.00 175.76 174.74 3kyo s LEU 206 N 1.51 2.17 -0.42 0.00 1.43 0.50 -0.75 118.68 123.11 3kyo s LEU 206 Ca 0.04 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3kyo s LEU 206 Cb -0.13 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.39 3kyo s LEU 206 CO -0.09 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3kyo n GLY 207 N 1.91 0.23 3.88 -3.19 0.00 -0.54 -0.10 105.19 107.38 3kyo n GLY 207 Ca -0.18 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.23 3.29 -0.21 1.61 -0.71 -1.02 -4.64 117.98 114.06 3kyo s PHE 208 Ca 0.00 -0.01 -0.15 0.00 -1.04 0.00 0.00 56.93 55.74 3kyo s PHE 208 Cb 0.00 -1.54 0.06 0.00 -1.21 0.00 0.00 43.02 40.34 3kyo s PHE 208 CO 0.00 0.50 0.54 -0.47 -1.34 0.00 0.00 175.22 174.45 3kyo s TYR 209 N -1.89 -0.73 1.07 3.49 6.14 -0.40 -0.11 117.35 124.91 3kyo s TYR 209 Ca 0.33 1.60 -0.18 0.00 0.64 0.00 0.00 57.07 59.46 3kyo s TYR 209 Cb -0.10 0.35 0.26 0.00 0.42 0.00 0.00 41.96 42.89 3kyo s TYR 209 CO 0.26 -0.38 1.13 -0.35 0.64 0.00 0.00 175.55 176.86 3kyo n PRO 210 N 3.72 -2.30 0.22 4.97 -0.04 -1.26 -0.46 135.00 139.84 3kyo n PRO 210 Ca -0.19 -1.78 0.09 0.00 -0.04 0.00 0.00 63.50 61.58 3kyo n PRO 210 Cb 0.57 -1.45 0.48 0.00 -0.04 0.00 0.00 33.50 33.05 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 -2.34 1.08 -2.46 0.55 0.00 -1.97 -3.44 119.26 110.69 3kyo h ALA 211 Ca -0.40 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 3kyo h ALA 211 Cb 1.17 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.94 3kyo h ALA 211 CO 0.27 0.31 1.08 -2.00 0.00 0.00 0.00 179.25 178.91 3kyo s GLU 212 N -3.77 4.16 0.05 0.00 2.12 -1.26 -4.97 118.70 115.03 3kyo s GLU 212 Ca -0.00 2.48 -0.19 0.00 0.36 0.00 0.00 54.97 57.62 3kyo s GLU 212 Cb 0.11 -3.67 0.04 0.00 0.26 0.00 0.00 34.13 30.87 3kyo s GLU 212 CO 0.64 -0.81 0.44 -1.50 -0.54 0.00 0.00 175.26 173.48 3kyo s ILE 213 N 2.94 0.05 -0.16 -3.70 2.07 -1.26 -4.68 121.20 116.46 3kyo s ILE 213 Ca 0.79 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 3kyo s ILE 213 Cb -0.43 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.22 3kyo s ILE 213 CO 0.35 -0.23 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.41 3kyo s ILE 214 N -2.59 1.47 -0.21 2.00 -1.09 -0.36 -5.01 121.20 115.41 3kyo s ILE 214 Ca -0.05 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 57.63 3kyo s ILE 214 Cb -0.01 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.38 3kyo s ILE 214 CO -0.03 0.33 0.02 -0.76 -1.23 0.00 0.00 174.94 173.27 3kyo s LEU 215 N 1.51 3.34 -0.04 2.97 1.43 -1.26 -1.50 118.68 125.13 3kyo s LEU 215 Ca 0.03 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3kyo s LEU 215 Cb -0.14 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3kyo s LEU 215 CO -0.09 0.06 -0.10 -0.89 0.23 0.00 0.00 176.35 175.55 3kyo s THR 216 N 1.03 0.94 0.01 5.49 2.01 -0.48 -4.98 115.64 119.66 3kyo s THR 216 Ca 0.02 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 3kyo s THR 216 Cb -0.14 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3kyo s THR 216 CO 0.02 0.30 0.33 0.26 -0.69 0.00 0.00 174.62 174.84 3kyo s TRP 217 N 0.41 3.63 0.09 4.92 0.52 -1.26 -0.19 118.94 127.06 3kyo s TRP 217 Ca -0.08 0.75 0.10 0.00 0.02 0.00 0.00 56.10 56.89 3kyo s TRP 217 Cb -0.12 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.05 3kyo s TRP 217 CO 0.02 0.62 -0.26 -0.65 0.02 0.00 0.00 176.95 176.70 3kyo s GLN 218 N -1.49 1.51 -0.09 4.98 -0.21 0.35 -1.19 119.66 123.52 3kyo s GLN 218 Ca 0.26 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.47 3kyo s GLN 218 Cb -0.14 -1.84 -0.00 0.00 1.00 0.00 0.00 33.01 32.03 3kyo s GLN 218 CO 0.14 0.45 -0.23 0.50 -2.12 0.00 0.00 175.29 174.03 3kyo s ARG 219 N -1.67 2.94 -1.48 2.91 3.52 0.17 -1.67 118.95 123.66 3kyo s ARG 219 Ca 0.12 -0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 54.71 3kyo s ARG 219 Cb -0.10 -2.30 0.11 0.00 -1.56 0.00 0.00 34.95 31.10 3kyo s ARG 219 CO 0.04 0.24 0.68 -0.25 -0.81 0.00 0.00 175.30 175.21 3kyo n ASP 220 N 3.35 -3.73 0.00 -2.12 8.00 -0.40 -0.64 116.55 121.01 3kyo n ASP 220 Ca -0.18 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.63 3kyo n ASP 220 Cb 0.53 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.58 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 -1.33 1.15 3.74 0.44 0.00 -1.26 -5.02 105.19 102.91 3kyo n GLY 221 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.16 4.17 0.26 1.61 2.02 0.18 -4.98 118.70 121.80 3kyo s GLU 222 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 3kyo s GLU 222 Cb 0.00 -3.40 -0.11 0.00 0.10 0.00 0.00 34.13 30.72 3kyo s GLU 222 CO 0.00 0.31 1.58 -0.51 0.02 0.00 0.00 175.26 176.65 3kyo s ASP 223 N 0.29 6.45 -0.28 -0.19 1.01 -1.26 -0.66 116.67 122.03 3kyo s ASP 223 Ca 0.13 2.84 -0.10 0.00 0.71 0.00 0.00 52.55 56.14 3kyo s ASP 223 Cb -0.12 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 3kyo s ASP 223 CO 0.02 -0.87 0.16 -1.10 0.21 0.00 0.00 175.17 173.58 3kyo s GLN 224 N -0.07 3.70 0.21 8.23 -1.52 -0.33 -4.87 119.66 125.00 3kyo s GLN 224 Ca 0.65 -0.48 0.23 0.00 -1.95 0.00 0.00 55.36 53.81 3kyo s GLN 224 Cb -0.46 -3.57 0.17 0.00 -0.22 0.00 0.00 33.01 28.93 3kyo s GLN 224 CO 0.43 -0.26 1.22 1.79 -0.25 0.00 0.00 175.29 178.22 3kyo h THR 225 N 5.49 0.00 -1.79 -0.19 1.35 -1.93 -3.43 112.91 112.41 3kyo h THR 225 Ca -0.35 -0.82 0.01 0.00 -0.55 0.00 0.00 66.41 64.70 3kyo h THR 225 Cb 1.17 1.42 -0.21 0.00 -1.73 0.00 0.00 68.15 68.81 3kyo h THR 225 CO 0.58 0.00 0.36 -1.10 -0.25 0.00 0.00 175.52 175.11 3kyo s GLN 226 N -3.27 0.83 -0.46 4.72 -0.21 -1.26 -4.41 119.66 115.59 3kyo s GLN 226 Ca 0.03 0.21 -0.21 0.00 0.02 0.00 0.00 55.36 55.41 3kyo s GLN 226 Cb 0.10 0.39 0.03 0.00 1.00 0.00 0.00 33.01 34.54 3kyo s GLN 226 CO 0.75 -0.26 0.69 -0.51 -2.12 0.00 0.00 175.29 173.84 3kyo s ASP 227 N -1.14 6.32 -0.16 5.90 1.01 -1.26 -5.13 116.67 122.21 3kyo s ASP 227 Ca -0.06 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 3kyo s ASP 227 Cb -0.00 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 3kyo s ASP 227 CO 0.06 -0.87 -0.11 -0.69 0.21 0.00 0.00 175.17 173.77 3kyo s VAL 228 N 2.97 3.12 -0.25 -1.27 1.01 -1.26 -4.43 120.40 120.29 3kyo s VAL 228 Ca 0.23 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3kyo s VAL 228 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3kyo s VAL 228 CO 0.18 0.50 0.45 -0.70 0.00 0.00 0.00 175.10 175.53 3kyo s GLU 229 N 0.69 4.07 -0.26 2.72 2.12 0.10 -4.91 118.70 123.23 3kyo s GLU 229 Ca -0.05 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.50 3kyo s GLU 229 Cb -0.15 -3.63 0.07 0.00 0.26 0.00 0.00 34.13 30.67 3kyo s GLU 229 CO 0.02 -0.27 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.24 3kyo s LEU 230 N 2.04 3.08 0.60 2.70 2.96 -1.26 -0.54 118.68 128.26 3kyo s LEU 230 Ca 0.19 -1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 52.57 3kyo s LEU 230 Cb -0.16 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 3kyo s LEU 230 CO 0.09 -0.24 1.05 0.68 -1.32 0.00 0.00 176.35 176.62 3kyo s VAL 231 N 1.25 3.88 0.26 1.68 -7.23 -1.03 -4.97 120.40 114.23 3kyo s VAL 231 Ca -0.05 0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 60.68 3kyo s VAL 231 Cb -0.19 -3.41 -0.12 0.00 0.56 0.00 0.00 36.38 33.22 3kyo s VAL 231 CO -0.07 -0.55 1.63 1.21 -0.31 0.00 0.00 175.10 177.02 3kyo n GLU 232 N -2.09 2.68 -1.72 4.82 2.13 -1.26 -4.62 120.64 120.58 3kyo n GLU 232 Ca 0.08 0.96 -0.43 0.00 0.66 0.00 0.00 57.16 58.44 3kyo n GLU 232 Cb 0.53 -2.76 -0.03 0.00 0.27 0.00 0.00 31.44 29.46 3kyo n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3kyo n THR 233 N 2.81 0.41 -4.30 6.31 -1.04 -1.26 -4.88 114.28 112.32 3kyo n THR 233 Ca 0.12 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 3kyo n THR 233 Cb 0.35 -1.88 -0.13 0.00 -1.82 0.00 0.00 70.33 66.86 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 0.47 1.06 0.25 -2.82 1.70 -0.27 -4.97 118.95 114.37 3kyo s ARG 234 Ca 0.71 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 3kyo s ARG 234 Cb -0.54 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 32.53 3kyo s ARG 234 CO 0.40 0.29 0.99 -1.25 -1.08 0.00 0.00 175.30 174.64 3kyo s PRO 235 N -1.72 4.79 0.40 3.89 0.04 -1.26 -1.13 135.00 140.01 3kyo s PRO 235 Ca 0.04 1.59 0.21 0.00 0.04 0.00 0.00 61.00 62.88 3kyo s PRO 235 Cb -0.10 -3.25 0.34 0.00 0.04 0.00 0.00 34.50 31.53 3kyo s PRO 235 CO 0.03 0.42 1.59 0.00 0.04 0.00 0.00 177.00 179.08 3kyo h ALA 236 N 4.04 0.90 0.00 8.56 0.00 -1.23 -3.47 119.26 128.06 3kyo h ALA 236 Ca -0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kyo h ALA 236 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kyo h ALA 236 CO 0.68 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3kyo n GLY 237 N 1.03 0.44 0.59 0.00 0.00 -1.26 -4.94 105.19 101.05 3kyo n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.09 0.00 1.61 5.68 -1.26 -4.95 116.55 120.72 3kyo n ASP 238 Ca 0.00 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 3kyo n ASP 238 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 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 -0.18 0.41 3.87 6.12 0.00 -1.26 -5.07 105.19 109.07 3kyo n GLY 239 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.15 2.39 0.34 2.61 -4.23 -1.26 -4.83 115.64 108.51 3kyo s THR 240 Ca 0.00 -1.41 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 3kyo s THR 240 Cb 0.00 -2.80 -0.07 0.00 1.34 0.00 0.00 72.50 70.97 3kyo s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3kyo s PHE 241 N -2.56 2.28 0.02 3.99 0.40 0.84 -0.72 117.98 122.23 3kyo s PHE 241 Ca 0.45 -0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 56.13 3kyo s PHE 241 Cb -0.02 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 3kyo s PHE 241 CO 0.26 0.43 0.01 -0.65 0.70 0.00 0.00 175.22 175.97 3kyo s GLN 242 N -3.69 0.39 0.05 0.44 -0.21 -0.28 -1.47 119.66 114.90 3kyo s GLN 242 Ca 0.33 -0.66 -0.23 0.00 0.02 0.00 0.00 55.36 54.82 3kyo s GLN 242 Cb 0.05 0.15 0.06 0.00 1.00 0.00 0.00 33.01 34.26 3kyo s GLN 242 CO 0.16 -0.08 0.54 0.21 -2.12 0.00 0.00 175.29 174.00 3kyo s LYS 243 N -1.82 1.07 0.06 2.91 2.20 0.07 -1.12 119.74 123.10 3kyo s LYS 243 Ca -0.12 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.23 3kyo s LYS 243 Cb -0.07 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 3kyo s LYS 243 CO -0.02 -0.40 0.02 1.67 -0.36 0.00 0.00 175.35 176.27 3kyo s TRP 244 N -2.54 0.41 -0.02 4.03 1.48 -1.26 -0.76 118.94 120.28 3kyo s TRP 244 Ca -0.05 -0.91 0.02 0.00 -1.06 0.00 0.00 56.10 54.10 3kyo s TRP 244 Cb -0.01 -0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.01 3kyo s TRP 244 CO -0.02 -0.41 -0.08 0.00 -4.06 0.00 0.00 176.95 172.38 3kyo s ALA 245 N -3.72 0.74 0.04 2.67 0.00 -0.57 -2.45 121.76 118.46 3kyo s ALA 245 Ca 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.78 3kyo s ALA 245 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3kyo s ALA 245 CO -0.10 0.12 -0.15 0.00 0.00 0.00 0.00 175.76 175.64 3kyo s ALA 246 N 0.18 1.24 0.03 0.00 0.00 0.30 -0.17 121.76 123.34 3kyo s ALA 246 Ca -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3kyo s ALA 246 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3kyo s ALA 246 CO 0.00 0.24 -0.13 0.54 0.00 0.00 0.00 175.76 176.41 3kyo s VAL 247 N -0.84 1.02 -0.24 0.00 0.11 -0.48 0.02 120.40 119.99 3kyo s VAL 247 Ca 0.02 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.09 3kyo s VAL 247 Cb -0.08 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3kyo s VAL 247 CO 0.01 0.04 0.14 0.54 -3.33 0.00 0.00 175.10 172.50 3kyo s VAL 248 N -0.74 5.15 0.18 2.04 0.11 -1.26 -0.93 120.40 124.95 3kyo s VAL 248 Ca 0.01 0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 3kyo s VAL 248 Cb -0.07 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 3kyo s VAL 248 CO 0.01 0.35 -0.17 0.68 -3.33 0.00 0.00 175.10 172.64 3kyo s VAL 249 N 1.10 1.79 0.40 2.04 -7.23 -0.29 -4.91 120.40 113.31 3kyo s VAL 249 Ca 0.07 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.97 3kyo s VAL 249 Cb -0.14 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 3kyo s VAL 249 CO 0.05 -0.41 1.18 -2.84 -0.31 0.00 0.00 175.10 172.77 3kyo s PRO 250 N -3.07 4.04 0.12 4.82 0.02 -1.26 -0.73 135.00 138.93 3kyo s PRO 250 Ca 0.18 1.86 -0.35 0.00 0.02 0.00 0.00 61.00 62.71 3kyo s PRO 250 Cb -0.04 -2.68 -0.15 0.00 0.02 0.00 0.00 34.50 31.66 3kyo s PRO 250 CO 0.07 -0.34 1.52 0.43 -0.33 0.00 0.00 177.00 178.35 3kyo n SER 251 N 0.07 2.65 0.00 2.53 7.64 0.21 -1.44 113.62 125.28 3kyo n SER 251 Ca 0.04 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.01 3kyo n SER 251 Cb 0.46 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3kyo n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kyo n GLY 252 N 3.19 1.57 1.35 0.23 0.00 -1.26 -4.89 105.19 105.37 3kyo n GLY 252 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 2.87 -0.11 1.61 1.02 -0.52 -4.67 120.64 118.84 3kyo n GLU 253 Ca 0.00 -2.55 0.11 0.00 -0.02 0.00 0.00 57.16 54.70 3kyo n GLU 253 Cb 0.00 -1.63 0.47 0.00 -0.02 0.00 0.00 31.44 30.27 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 4.01 0.46 0.00 3.49 3.07 -1.91 -0.44 114.58 123.25 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 1.05 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 3kyo h GLU 254 CO 0.06 0.30 0.00 1.04 -1.40 0.00 0.00 179.01 179.01 3kyo n GLN 255 N -4.48 0.93 0.10 2.33 1.13 -1.26 -1.64 117.38 114.49 3kyo n GLN 255 Ca 0.11 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.29 3kyo n GLN 255 Cb 0.37 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 29.66 3kyo n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kyo n ARG 256 N -1.00 0.22 -4.30 -1.09 1.74 -0.17 -4.86 116.66 107.20 3kyo n ARG 256 Ca 0.22 0.24 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 3kyo n ARG 256 Cb 0.10 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 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 -3.13 3.20 0.01 -1.55 2.02 -0.65 -1.27 117.35 115.97 3kyo s TYR 257 Ca 0.10 0.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3kyo s TYR 257 Cb 0.12 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3kyo s TYR 257 CO 0.54 0.43 -0.06 0.95 -1.57 0.00 0.00 175.55 175.84 3kyo s THR 258 N -0.70 0.49 -0.14 -0.71 -4.23 -0.67 -4.64 115.64 105.04 3kyo s THR 258 Ca 0.11 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.07 3kyo s THR 258 Cb -0.12 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.23 3kyo s THR 258 CO 0.02 0.02 0.23 0.00 -0.54 0.00 0.00 174.62 174.35 3kyo s HIS 260 N -0.07 2.81 -0.14 0.00 5.04 0.73 -0.46 115.29 123.20 3kyo s HIS 260 Ca 0.15 -0.92 0.01 0.00 -1.54 0.00 0.00 55.06 52.77 3kyo s HIS 260 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 32.58 30.59 3kyo s HIS 260 CO 0.03 -0.41 -0.18 0.08 -2.34 0.00 0.00 174.74 171.93 3kyo s VAL 261 N 0.76 2.44 -0.06 0.89 1.01 -0.48 -1.38 120.40 123.58 3kyo s VAL 261 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3kyo s VAL 261 Cb -0.15 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3kyo s VAL 261 CO 0.01 0.53 -0.21 -1.10 0.00 0.00 0.00 175.10 174.34 3kyo s GLN 262 N 0.70 2.24 -0.17 2.72 -0.21 -0.56 -1.42 119.66 122.96 3kyo s GLN 262 Ca -0.08 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.29 3kyo s GLN 262 Cb -0.16 -1.87 0.07 0.00 1.00 0.00 0.00 33.01 32.05 3kyo s GLN 262 CO 0.01 0.27 0.67 -1.58 -2.12 0.00 0.00 175.29 172.54 3kyo s HIS 263 N 0.06 -0.70 0.47 0.91 2.46 -1.26 -1.23 115.29 116.00 3kyo s HIS 263 Ca -0.07 1.52 0.26 0.00 0.47 0.00 0.00 55.06 57.24 3kyo s HIS 263 Cb -0.14 0.31 1.30 0.00 -0.13 0.00 0.00 32.58 33.93 3kyo s HIS 263 CO 0.04 -0.46 1.80 1.49 -2.47 0.00 0.00 174.74 175.14 3kyo h GLU 264 N 4.22 0.20 0.00 2.88 4.81 -1.94 -1.17 114.58 123.59 3kyo h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3kyo h GLU 264 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3kyo h GLU 264 CO 0.20 0.14 -0.18 0.41 -0.73 0.00 0.00 179.01 178.85 3kyo n GLY 265 N -1.60 -1.48 3.67 1.92 0.00 -1.26 -4.80 105.19 101.64 3kyo n GLY 265 Ca 0.24 -0.15 -0.41 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 -3.45 4.18 0.30 0.99 1.43 -0.44 -4.47 118.68 117.22 3kyo s LEU 266 Ca 0.12 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3kyo s LEU 266 Cb 0.17 -3.22 0.66 0.00 0.03 0.00 0.00 46.19 43.82 3kyo s LEU 266 CO 0.60 -0.38 1.58 1.55 0.23 0.00 0.00 176.35 179.93 3kyo h PRO 267 N 7.30 0.02 -3.31 1.29 0.13 -1.87 -3.43 132.00 132.12 3kyo h PRO 267 Ca -0.30 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3kyo h PRO 267 Cb 1.14 -0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 3kyo h PRO 267 CO 0.83 0.01 0.02 -1.83 -0.23 0.00 0.00 178.00 176.80 3kyo s GLU 268 N -6.07 1.34 0.50 0.86 -1.05 -1.26 -5.15 118.70 107.87 3kyo s GLU 268 Ca -0.13 -0.84 -0.22 0.00 -0.15 0.00 0.00 54.97 53.63 3kyo s GLU 268 Cb 0.28 0.52 -0.08 0.00 -0.44 0.00 0.00 34.13 34.40 3kyo s GLU 268 CO 0.78 -0.56 1.01 -2.30 0.95 0.00 0.00 175.26 175.14 3kyo n PRO 269 N -0.33 1.23 -3.97 -4.83 -0.02 -1.26 -4.97 135.00 120.85 3kyo n PRO 269 Ca -0.11 0.45 -0.25 0.00 -2.02 0.00 0.00 63.50 61.57 3kyo n PRO 269 Cb 0.63 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.27 4.27 -0.09 2.45 1.43 -0.51 -4.94 118.68 120.02 3kyo s LEU 270 Ca 0.68 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.90 3kyo s LEU 270 Cb -0.49 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3kyo s LEU 270 CO 0.53 0.04 -0.07 -0.04 0.23 0.00 0.00 176.35 177.04 3kyo s MET 271 N -3.33 1.31 0.13 1.70 -1.94 -1.26 -1.39 119.30 114.52 3kyo s MET 271 Ca 0.34 -0.19 0.10 0.00 -1.71 0.00 0.00 55.69 54.22 3kyo s MET 271 Cb -0.11 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 3kyo s MET 271 CO 0.28 -0.21 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.34 3kyo s LEU 272 N 1.51 2.35 0.12 -0.03 1.02 0.39 -4.95 118.68 119.09 3kyo s LEU 272 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.43 3kyo s LEU 272 Cb -0.13 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 3kyo s LEU 272 CO -0.05 0.10 -0.09 -0.13 0.02 0.00 0.00 176.35 176.20 3kyo s ARG 273 N -2.20 0.94 0.00 1.70 0.52 -1.26 -0.53 118.95 118.12 3kyo s ARG 273 Ca 0.13 -1.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.05 3kyo s ARG 273 Cb -0.09 -0.48 0.40 0.00 0.52 0.00 0.00 34.95 35.30 3kyo s ARG 273 CO 0.06 0.05 0.86 1.87 0.02 0.00 0.00 175.30 178.16