#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s GLU 2 N 0.00 0.19 0.48 0.00 2.56 -1.26 -5.14 118.70 115.53 1kfy s GLU 2 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 54.97 54.67 1kfy s GLU 2 Cb 0.00 -1.23 -0.08 0.00 2.00 0.00 0.00 34.13 34.82 1kfy s GLU 2 CO 0.00 -0.81 1.06 -1.64 -0.56 0.00 0.00 175.26 173.31 1kfy s MET 3 N 2.24 3.78 0.70 4.30 -1.94 -1.26 -5.04 119.30 122.08 1kfy s MET 3 Ca 0.07 1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 55.39 1kfy s MET 3 Cb -0.15 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.53 1kfy s MET 3 CO -0.21 -0.46 1.09 0.15 -0.01 0.00 0.00 175.02 175.58 1kfy s LYS 4 N -3.09 2.89 0.08 2.03 1.02 -1.22 -4.85 119.74 116.61 1kfy s LYS 4 Ca 0.66 0.50 0.09 0.00 0.02 0.00 0.00 55.97 57.25 1kfy s LYS 4 Cb -0.19 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1kfy s LYS 4 CO 0.23 -1.02 -0.24 -0.80 -0.92 0.00 0.00 175.35 172.60 1kfy s ASN 5 N -4.32 2.91 -0.10 2.83 -0.87 -1.26 -1.62 114.94 112.50 1kfy s ASN 5 Ca 0.58 -0.65 -0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1kfy s ASN 5 Cb -0.11 -0.21 0.02 0.00 -0.02 0.00 0.00 41.25 40.93 1kfy s ASN 5 CO 0.52 0.17 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.92 1kfy s LEU 6 N -1.63 1.23 -0.69 0.60 2.96 -0.19 -4.94 118.68 116.01 1kfy s LEU 6 Ca 0.10 -0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.46 1kfy s LEU 6 Cb -0.10 -0.80 0.03 0.00 0.50 0.00 0.00 46.19 45.82 1kfy s LEU 6 CO 0.04 -0.10 1.28 -0.75 -1.32 0.00 0.00 176.35 175.50 1kfy s LYS 7 N 1.54 3.25 -0.16 1.98 2.20 -1.26 -2.17 119.74 125.12 1kfy s LYS 7 Ca 0.01 -0.08 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 1kfy s LYS 7 Cb -0.13 -4.15 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 1kfy s LYS 7 CO -0.06 -2.06 0.30 0.42 -0.36 0.00 0.00 175.35 173.59 1kfy s ILE 8 N 5.68 5.30 -0.36 5.43 1.01 -0.38 -4.42 121.20 133.47 1kfy s ILE 8 Ca 0.39 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.44 1kfy s ILE 8 Cb -0.08 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 1kfy s ILE 8 CO 0.18 0.39 0.35 -0.70 0.00 0.00 0.00 174.94 175.15 1kfy s GLU 9 N 0.46 3.43 -0.16 2.79 2.12 -0.13 -1.42 118.70 125.79 1kfy s GLU 9 Ca 0.17 -0.56 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 1kfy s GLU 9 Cb -0.13 -3.84 -0.01 0.00 0.26 0.00 0.00 34.13 30.40 1kfy s GLU 9 CO 0.04 -0.58 -0.10 0.08 -0.54 0.00 0.00 175.26 174.16 1kfy s VAL 10 N 1.95 3.18 -0.74 3.70 1.01 0.08 0.41 120.40 129.99 1kfy s VAL 10 Ca 0.10 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 1kfy s VAL 10 Cb -0.17 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1kfy s VAL 10 CO 0.12 0.49 1.24 -0.69 0.00 0.00 0.00 175.10 176.26 1kfy s VAL 11 N 0.71 3.83 0.46 2.92 1.01 0.20 -1.26 120.40 128.27 1kfy s VAL 11 Ca -0.05 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1kfy s VAL 11 Cb -0.15 -4.89 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 1kfy s VAL 11 CO 0.02 -1.80 0.80 -0.13 0.00 0.00 0.00 175.10 173.99 1kfy s ARG 12 N 5.41 3.65 -0.30 2.72 1.81 -0.85 -4.66 118.95 126.73 1kfy s ARG 12 Ca 0.34 0.36 -0.08 0.00 -1.72 0.00 0.00 55.73 54.63 1kfy s ARG 12 Cb -0.09 -2.36 0.17 0.00 -0.45 0.00 0.00 34.95 32.22 1kfy s ARG 12 CO 0.13 -0.16 0.74 -0.47 -0.68 0.00 0.00 175.30 174.85 1kfy s TYR 13 N -2.62 -1.22 -0.29 -0.53 5.04 -1.26 -0.63 117.35 115.83 1kfy s TYR 13 Ca 0.50 1.66 -0.03 0.00 -2.44 0.00 0.00 57.07 56.76 1kfy s TYR 13 Cb -0.10 0.56 0.03 0.00 0.35 0.00 0.00 41.96 42.81 1kfy s TYR 13 CO 0.40 -0.64 0.01 1.21 -1.34 0.00 0.00 175.55 175.19 1kfy s ASN 14 N 2.82 4.84 0.00 4.32 3.84 -1.26 -1.28 114.94 128.21 1kfy s ASN 14 Ca 0.06 -1.05 0.05 0.00 0.21 0.00 0.00 52.86 52.12 1kfy s ASN 14 Cb -0.12 -1.75 0.28 0.00 -0.55 0.00 0.00 41.25 39.11 1kfy s ASN 14 CO -0.18 -0.22 0.66 -0.81 -2.79 0.00 0.00 177.10 173.75 1kfy n PRO 15 N 4.71 0.33 0.00 0.43 -0.04 -1.26 -0.09 135.00 139.07 1kfy n PRO 15 Ca -0.14 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.35 1kfy n PRO 15 Cb 0.45 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1kfy n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1kfy n GLU 16 N -0.72 3.61 0.00 0.54 1.02 -1.26 -4.81 120.64 119.02 1kfy n GLU 16 Ca 0.03 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1kfy n GLU 16 Cb 0.02 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1kfy n GLU 16 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kfy n VAL 17 N -0.72 0.00 -2.97 2.62 0.31 -0.71 -5.09 118.33 111.76 1kfy n VAL 17 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.95 1kfy n VAL 17 Cb 0.12 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.51 1kfy n VAL 17 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1kfy s ASP 18 N -4.07 7.39 0.03 4.52 -0.00 0.87 -4.97 116.67 120.44 1kfy s ASP 18 Ca 0.00 1.65 0.05 0.00 -0.00 0.00 0.00 52.55 54.25 1kfy s ASP 18 Cb 0.00 -2.50 -0.24 0.00 -0.00 0.00 0.00 42.92 40.18 1kfy s ASP 18 CO 0.00 0.20 0.96 0.00 -0.00 0.00 0.00 175.17 176.33 1kfy h THR 19 N 3.36 1.27 -2.81 -1.27 1.03 -1.97 -3.42 112.91 109.10 1kfy h THR 19 Ca -0.47 -3.00 -0.08 0.00 -0.01 0.00 0.00 66.41 62.84 1kfy h THR 19 Cb 1.21 2.69 -0.18 0.00 -1.07 0.00 0.00 68.15 70.79 1kfy h THR 19 CO 0.66 0.78 -0.09 0.00 -0.01 0.00 0.00 175.52 176.86 1kfy s ALA 20 N -2.65 -1.11 0.97 0.00 0.00 -1.26 -5.13 121.76 112.58 1kfy s ALA 20 Ca -0.04 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1kfy s ALA 20 Cb 0.08 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1kfy s ALA 20 CO 0.83 -0.38 0.27 -2.30 0.00 0.00 0.00 175.76 174.18 1kfy n PRO 21 N 0.81 -0.35 -3.64 0.00 -0.02 -1.26 -4.92 135.00 125.62 1kfy n PRO 21 Ca -0.20 -0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.12 1kfy n PRO 21 Cb 0.58 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 1kfy n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1kfy s HIS 22 N -2.35 -0.79 0.74 6.00 -3.43 0.20 -4.99 115.29 110.67 1kfy s HIS 22 Ca 0.55 1.77 -0.15 0.00 -0.80 0.00 0.00 55.06 56.43 1kfy s HIS 22 Cb -0.20 0.40 0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1kfy s HIS 22 CO 0.69 -0.39 1.24 -1.12 -2.00 0.00 0.00 174.74 173.16 1kfy s SER 23 N 0.81 4.02 0.04 7.38 0.01 -1.26 -2.00 113.70 122.69 1kfy s SER 23 Ca -0.03 2.45 -0.06 0.00 1.31 0.00 0.00 55.95 59.62 1kfy s SER 23 Cb -0.05 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1kfy s SER 23 CO -0.08 -2.39 0.10 0.00 0.41 0.00 0.00 173.24 171.29 1kfy s ALA 24 N -1.87 -0.09 -0.02 1.44 0.00 -0.39 -4.82 121.76 116.00 1kfy s ALA 24 Ca 0.76 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1kfy s ALA 24 Cb -0.32 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1kfy s ALA 24 CO 0.46 -0.31 -0.14 -0.06 0.00 0.00 0.00 175.76 175.71 1kfy s PHE 25 N -2.53 1.33 -0.01 0.00 0.40 -1.26 -0.74 117.98 115.18 1kfy s PHE 25 Ca -0.06 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1kfy s PHE 25 Cb -0.02 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.62 1kfy s PHE 25 CO -0.04 -0.09 -0.07 0.71 0.70 0.00 0.00 175.22 176.44 1kfy s TYR 26 N -0.09 0.63 -0.23 0.36 1.51 -0.50 -4.97 117.35 114.06 1kfy s TYR 26 Ca 0.01 -0.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.74 1kfy s TYR 26 Cb -0.08 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.31 1kfy s TYR 26 CO 0.01 -0.04 0.57 -1.21 -1.11 0.00 0.00 175.55 173.77 1kfy s GLU 27 N -0.00 4.15 -0.06 -0.62 0.41 -1.26 -1.25 118.70 120.06 1kfy s GLU 27 Ca 0.00 0.48 0.04 0.00 -0.41 0.00 0.00 54.97 55.08 1kfy s GLU 27 Cb -0.04 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.70 1kfy s GLU 27 CO -0.00 -0.28 -0.17 0.08 -0.49 0.00 0.00 175.26 174.40 1kfy s VAL 28 N 2.06 1.48 0.52 2.63 1.01 -0.92 -4.94 120.40 122.23 1kfy s VAL 28 Ca 0.25 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1kfy s VAL 28 Cb -0.16 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 1kfy s VAL 28 CO 0.09 0.43 1.09 -2.84 0.00 0.00 0.00 175.10 173.87 1kfy s PRO 29 N 0.27 3.54 0.12 2.72 0.02 -1.26 -1.02 135.00 139.40 1kfy s PRO 29 Ca -0.10 1.50 -0.25 0.00 0.02 0.00 0.00 61.00 62.17 1kfy s PRO 29 Cb -0.14 -2.04 0.07 0.00 0.02 0.00 0.00 34.50 32.41 1kfy s PRO 29 CO 0.04 -0.67 0.75 1.52 -0.33 0.00 0.00 177.00 178.31 1kfy s TYR 30 N -1.88 -0.38 0.33 6.54 -0.85 -0.64 -4.90 117.35 115.58 1kfy s TYR 30 Ca 0.70 0.15 0.02 0.00 -0.52 0.00 0.00 57.07 57.42 1kfy s TYR 30 Cb -0.20 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 1kfy s TYR 30 CO 0.24 -0.81 0.40 -0.40 -1.52 0.00 0.00 175.55 173.46 1kfy n ASP 31 N -0.36 -1.09 0.00 -0.18 3.85 -1.26 -3.46 116.55 114.05 1kfy n ASP 31 Ca -0.11 -2.95 0.00 0.00 -0.71 0.00 0.00 54.79 51.02 1kfy n ASP 31 Cb 0.63 2.16 0.00 0.00 -1.35 0.00 0.00 41.12 42.55 1kfy n ASP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfy n ALA 32 N -0.77 0.70 0.13 2.12 0.00 -1.26 -1.59 120.51 119.85 1kfy n ALA 32 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1kfy n ALA 32 Cb 0.58 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1kfy n ALA 32 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kfy n THR 33 N -1.23 0.00 -1.83 0.00 -2.24 -1.26 -4.90 114.28 102.82 1kfy n THR 33 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1kfy n THR 33 Cb 0.15 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1kfy n THR 33 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kfy s THR 34 N -2.75 2.93 0.40 4.28 2.01 -0.62 -5.00 115.64 116.89 1kfy s THR 34 Ca -0.03 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.35 1kfy s THR 34 Cb 0.09 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1kfy s THR 34 CO 0.54 -0.01 0.42 -0.94 -0.69 0.00 0.00 174.62 173.94 1kfy s SER 35 N 2.91 5.32 0.13 3.53 1.04 -1.26 -1.83 113.70 123.55 1kfy s SER 35 Ca 0.78 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 56.49 1kfy s SER 35 Cb -0.41 -0.72 -0.00 0.00 0.10 0.00 0.00 66.02 64.98 1kfy s SER 35 CO 0.35 -0.61 1.64 0.25 0.98 0.00 0.00 173.24 175.85 1kfy h LEU 36 N 0.96 0.63 -0.70 2.42 5.85 0.11 -1.11 115.31 123.47 1kfy h LEU 36 Ca -0.42 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.12 1kfy h LEU 36 Cb 1.27 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 1kfy h LEU 36 CO 0.54 0.69 0.42 0.25 -0.34 0.00 0.00 178.44 180.00 1kfy h LEU 37 N 0.54 0.67 -0.40 2.25 5.85 -1.67 0.33 115.31 122.89 1kfy h LEU 37 Ca 0.13 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1kfy h LEU 37 Cb 0.30 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1kfy h LEU 37 CO -0.00 0.45 0.05 0.44 -0.34 0.00 0.00 178.44 179.04 1kfy h ASP 38 N 0.81 -0.07 0.06 1.25 3.32 -1.69 -1.10 116.42 119.01 1kfy h ASP 38 Ca 0.30 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.44 1kfy h ASP 38 Cb 0.09 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1kfy h ASP 38 CO -0.14 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.22 1kfy h ALA 39 N 1.33 -0.25 -0.87 3.45 0.00 0.26 -1.04 119.26 122.13 1kfy h ALA 39 Ca 0.20 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1kfy h ALA 39 Cb 0.26 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1kfy h ALA 39 CO -0.29 -0.68 0.56 -0.07 0.00 0.00 0.00 179.25 178.77 1kfy h LEU 40 N -0.31 0.72 -0.41 0.00 3.38 -0.01 -0.26 115.31 118.42 1kfy h LEU 40 Ca 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1kfy h LEU 40 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1kfy h LEU 40 CO -0.12 0.41 0.03 1.23 0.09 0.00 0.00 178.44 180.08 1kfy h GLY 41 N 0.79 0.76 0.99 0.83 0.00 -0.29 -2.06 103.07 104.09 1kfy h GLY 41 Ca 0.41 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1kfy h GLY 41 CO -0.18 0.50 0.52 -1.82 0.00 0.00 0.00 176.54 175.55 1kfy h TYR 42 N 0.54 0.98 -0.53 5.60 3.20 0.13 -0.40 116.97 126.48 1kfy h TYR 42 Ca 0.12 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1kfy h TYR 42 Cb 0.44 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1kfy h TYR 42 CO 0.03 0.61 0.23 0.82 -1.64 0.00 0.00 178.16 178.21 1kfy h ILE 43 N 1.05 1.21 -0.33 1.81 2.04 -0.93 -1.36 117.51 120.99 1kfy h ILE 43 Ca 0.29 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1kfy h ILE 43 Cb -0.10 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1kfy h ILE 43 CO -0.07 0.25 -0.14 0.50 0.00 0.00 0.00 178.15 178.68 1kfy h LYS 44 N 0.72 0.59 -0.16 2.37 3.64 -0.80 0.41 116.57 123.33 1kfy h LYS 44 Ca 0.18 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1kfy h LYS 44 Cb 0.17 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1kfy h LYS 44 CO -0.02 0.71 -0.68 -0.44 -2.27 0.00 0.00 179.45 176.76 1kfy h ASP 45 N 0.54 0.87 0.00 4.20 3.32 -0.74 -3.17 116.42 121.44 1kfy h ASP 45 Ca 0.09 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1kfy h ASP 45 Cb 0.56 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1kfy h ASP 45 CO 0.04 1.35 -0.34 0.59 -1.72 0.00 0.00 179.24 179.16 1kfy n ASN 46 N -4.02 1.69 -0.04 6.45 3.02 -0.54 -4.91 115.26 116.90 1kfy n ASN 46 Ca -0.07 -0.31 -0.08 0.00 -0.03 0.00 0.00 54.58 54.09 1kfy n ASN 46 Cb 0.70 0.96 -0.03 0.00 -0.61 0.00 0.00 39.78 40.79 1kfy n ASN 46 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1kfy n LEU 47 N -1.13 1.57 -3.31 3.41 4.77 0.11 -4.99 117.00 117.42 1kfy n LEU 47 Ca 0.00 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1kfy n LEU 47 Cb 0.00 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1kfy n LEU 47 CO 0.00 0.36 -0.08 0.00 -1.33 0.00 0.00 177.39 176.34 1kfy s ALA 48 N -2.16 -1.03 0.65 -1.18 0.00 0.79 -5.01 121.76 113.83 1kfy s ALA 48 Ca -0.11 -0.57 0.34 0.00 0.00 0.00 0.00 51.96 51.61 1kfy s ALA 48 Cb 0.04 -2.25 1.84 0.00 0.00 0.00 0.00 23.12 22.75 1kfy s ALA 48 CO 0.16 -2.14 2.08 -1.35 0.00 0.00 0.00 175.76 174.51 1kfy h PRO 49 N 7.11 0.00 -0.11 0.00 0.11 -1.74 -1.63 132.00 135.73 1kfy h PRO 49 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1kfy h PRO 49 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1kfy h PRO 49 CO 0.18 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.57 1kfy n ASP 50 N -3.19 0.67 -4.62 -2.05 5.75 -1.26 -4.80 116.55 107.04 1kfy n ASP 50 Ca -0.01 -1.90 -0.43 0.00 -0.01 0.00 0.00 54.79 52.44 1kfy n ASP 50 Cb 0.30 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 1kfy n ASP 50 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1kfy s LEU 51 N -1.12 3.81 -0.06 -2.12 2.96 -0.61 -5.00 118.68 116.54 1kfy s LEU 51 Ca 0.13 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.98 1kfy s LEU 51 Cb 0.07 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1kfy s LEU 51 CO 0.09 -1.10 0.01 -0.44 -1.32 0.00 0.00 176.35 173.60 1kfy s SER 52 N 2.49 5.28 0.14 3.68 0.01 -1.26 -4.90 113.70 119.13 1kfy s SER 52 Ca 0.52 0.12 -0.25 0.00 1.31 0.00 0.00 55.95 57.65 1kfy s SER 52 Cb -0.13 -1.47 0.07 0.00 0.21 0.00 0.00 66.02 64.70 1kfy s SER 52 CO 0.24 0.35 0.76 -0.72 0.41 0.00 0.00 173.24 174.28 1kfy s TYR 53 N -0.95 -0.36 -0.03 2.43 -0.85 -1.26 -2.81 117.35 113.51 1kfy s TYR 53 Ca 0.15 0.11 -0.03 0.00 -0.52 0.00 0.00 57.07 56.78 1kfy s TYR 53 Cb -0.11 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1kfy s TYR 53 CO 0.05 -0.84 0.16 1.03 -1.52 0.00 0.00 175.55 174.44 1kfy s ARG 54 N -3.54 3.40 -0.03 -3.49 0.52 -1.26 -5.02 118.95 109.53 1kfy s ARG 54 Ca 0.06 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 1kfy s ARG 54 Cb -0.02 -3.09 0.12 0.00 0.52 0.00 0.00 34.95 32.48 1kfy s ARG 54 CO -0.06 0.69 1.32 1.67 0.02 0.00 0.00 175.30 178.94 1kfy s TRP 55 N -1.25 -0.02 0.00 -0.53 1.48 -1.26 -3.81 118.94 113.54 1kfy s TRP 55 Ca 0.24 -0.06 0.00 0.00 -1.06 0.00 0.00 56.10 55.22 1kfy s TRP 55 Cb -0.12 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.73 1kfy s TRP 55 CO 0.15 -0.23 0.00 0.45 -4.06 0.00 0.00 176.95 173.27 1kfy n SER 56 N -0.59 0.00 -0.29 -2.66 2.88 -1.26 -4.97 113.62 106.74 1kfy n SER 56 Ca -0.07 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.53 1kfy n SER 56 Cb 0.62 0.04 0.21 0.00 -0.75 0.00 0.00 64.21 64.33 1kfy n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfy n ARG 58 N -4.87 -0.78 -2.03 0.00 1.74 -1.26 -4.82 116.66 104.64 1kfy n ARG 58 Ca 0.16 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.45 1kfy n ARG 58 Cb 0.41 -3.78 0.03 0.00 -1.02 0.00 0.00 32.46 28.09 1kfy n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kfy n MET 59 N -1.43 0.72 -4.29 5.56 0.00 -1.26 -4.99 117.12 111.43 1kfy n MET 59 Ca 0.00 -2.44 -0.36 0.00 0.00 0.00 0.00 57.70 54.90 1kfy n MET 59 Cb 0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 33.22 32.83 1kfy n MET 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kfy n ALA 60 N -0.06 -1.45 0.00 3.17 0.00 -1.26 -4.82 120.51 116.10 1kfy n ALA 60 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1kfy n ALA 60 Cb 0.97 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1kfy n ALA 60 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1kfy n ILE 61 N -4.32 0.00 -0.01 0.00 0.13 -1.26 -4.83 119.36 109.06 1kfy n ILE 61 Ca -0.02 -0.05 -0.22 0.00 -1.10 0.00 0.00 62.75 61.36 1kfy n ILE 61 Cb 0.53 0.42 -0.14 0.00 -0.84 0.00 0.00 39.64 39.62 1kfy n ILE 61 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1kfy n GLY 63 N 1.81 0.93 0.09 0.00 0.00 -1.26 -4.79 105.19 101.96 1kfy n GLY 63 Ca -0.29 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.68 1kfy n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfy n SER 64 N 0.13 0.71 0.20 1.61 3.41 -1.26 -4.12 113.62 114.30 1kfy n SER 64 Ca 0.00 0.30 0.15 0.00 -0.26 0.00 0.00 58.87 59.07 1kfy n SER 64 Cb 0.00 0.47 0.59 0.00 -0.26 0.00 0.00 64.21 65.01 1kfy n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kfy n GLY 66 N -1.41 -0.01 3.81 0.00 0.00 -1.26 -3.03 105.19 103.29 1kfy n GLY 66 Ca 0.04 0.85 -0.04 0.00 0.00 0.00 0.00 46.02 46.87 1kfy n GLY 66 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1kfy s MET 67 N 1.22 1.34 -0.18 1.61 0.23 -0.56 -4.33 119.30 118.64 1kfy s MET 67 Ca 0.96 -0.81 -0.11 0.00 -1.03 0.00 0.00 55.69 54.70 1kfy s MET 67 Cb -1.32 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 32.35 1kfy s MET 67 CO 0.65 -0.62 0.19 -1.64 -2.03 0.00 0.00 175.02 171.57 1kfy s MET 68 N -2.78 4.18 -0.25 3.16 -1.94 -0.07 0.58 119.30 122.19 1kfy s MET 68 Ca 0.16 -0.11 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1kfy s MET 68 Cb -0.02 -3.41 0.07 0.00 2.01 0.00 0.00 34.83 33.47 1kfy s MET 68 CO 0.04 0.30 -0.03 0.08 -0.01 0.00 0.00 175.02 175.40 1kfy s VAL 69 N 0.34 1.52 -1.27 -6.03 1.01 0.51 -1.79 120.40 114.69 1kfy s VAL 69 Ca 0.11 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1kfy s VAL 69 Cb -0.12 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1kfy s VAL 69 CO 0.00 -0.17 0.76 0.59 0.00 0.00 0.00 175.10 176.28 1kfy n ASN 70 N 4.66 -1.84 -0.22 3.32 4.13 -0.38 -1.47 115.26 123.46 1kfy n ASN 70 Ca -0.10 -0.80 -0.03 0.00 1.68 0.00 0.00 54.58 55.33 1kfy n ASN 70 Cb 0.44 -4.24 -0.01 0.00 -1.54 0.00 0.00 39.78 34.43 1kfy n ASN 70 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1kfy n ASN 71 N -3.05 -5.47 -4.38 6.41 3.02 -1.26 -4.98 115.26 105.54 1kfy n ASN 71 Ca -0.27 0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.01 1kfy n ASN 71 Cb 0.67 -3.23 -0.14 0.00 -0.61 0.00 0.00 39.78 36.47 1kfy n ASN 71 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kfy s VAL 72 N -1.40 3.37 -0.02 2.41 1.01 -0.54 -5.08 120.40 120.15 1kfy s VAL 72 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1kfy s VAL 72 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1kfy s VAL 72 CO 0.00 0.48 1.56 -2.16 0.00 0.00 0.00 175.10 174.98 1kfy s PRO 73 N 0.76 4.22 0.21 2.72 0.04 -1.26 -0.36 135.00 141.33 1kfy s PRO 73 Ca -0.03 2.12 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1kfy s PRO 73 Cb -0.15 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.59 1kfy s PRO 73 CO 0.02 -0.74 0.20 0.15 0.04 0.00 0.00 177.00 176.67 1kfy s LYS 74 N 3.25 1.29 -0.28 4.56 1.02 0.19 -4.93 119.74 124.84 1kfy s LYS 74 Ca 0.70 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.97 1kfy s LYS 74 Cb -0.33 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1kfy s LYS 74 CO 0.28 -0.45 0.33 -0.51 -0.92 0.00 0.00 175.35 174.08 1kfy s LEU 75 N -3.14 4.09 0.33 3.17 1.43 -1.26 -1.49 118.68 121.80 1kfy s LEU 75 Ca 0.36 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.71 1kfy s LEU 75 Cb 0.05 -2.34 0.92 0.00 0.03 0.00 0.00 46.19 44.86 1kfy s LEU 75 CO 0.12 -0.17 1.73 0.00 0.23 0.00 0.00 176.35 178.26 1kfy h ALA 76 N 8.26 1.86 0.00 4.21 0.00 -1.88 0.24 119.26 131.96 1kfy h ALA 76 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1kfy h ALA 76 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1kfy h ALA 76 CO 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1kfy n LYS 78 N -1.03 0.95 -4.71 0.00 4.81 0.81 -4.75 118.16 114.24 1kfy n LYS 78 Ca 0.21 -2.31 -0.32 0.00 -0.87 0.00 0.00 58.31 55.02 1kfy n LYS 78 Cb 0.11 -1.19 -0.17 0.00 0.02 0.00 0.00 35.03 33.81 1kfy n LYS 78 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1kfy s THR 79 N -2.09 2.06 -0.11 3.15 2.01 -1.01 -4.86 115.64 114.79 1kfy s THR 79 Ca 0.26 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1kfy s THR 79 Cb 0.24 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 1kfy s THR 79 CO -0.01 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.93 1kfy s PHE 80 N 0.78 2.70 0.31 4.92 0.40 -1.26 0.95 117.98 126.78 1kfy s PHE 80 Ca -0.08 -0.79 0.08 0.00 -0.60 0.00 0.00 56.93 55.54 1kfy s PHE 80 Cb -0.16 -1.78 0.82 0.00 0.51 0.00 0.00 43.02 42.42 1kfy s PHE 80 CO -0.01 -0.28 1.75 -0.07 0.70 0.00 0.00 175.22 177.31 1kfy h LEU 81 N 6.64 0.73 -1.08 -0.37 3.38 -1.65 -1.14 115.31 121.82 1kfy h LEU 81 Ca -0.24 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.01 1kfy h LEU 81 Cb 1.22 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1kfy h LEU 81 CO 0.52 0.19 0.92 0.08 0.09 0.00 0.00 178.44 180.23 1kfy h ARG 82 N 0.67 0.00 -0.02 1.13 0.11 -1.80 1.22 114.38 115.69 1kfy h ARG 82 Ca 0.61 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.69 1kfy h ARG 82 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1kfy h ARG 82 CO -0.43 0.00 -0.03 -0.25 0.10 0.00 0.00 179.97 179.36 1kfy n ASP 83 N -3.11 2.22 -1.46 0.08 8.00 -0.43 -4.35 116.55 117.51 1kfy n ASP 83 Ca 0.12 -1.72 -0.06 0.00 0.71 0.00 0.00 54.79 53.83 1kfy n ASP 83 Cb 1.10 0.02 0.10 0.00 -0.02 0.00 0.00 41.12 42.32 1kfy n ASP 83 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kfy n TYR 84 N 0.70 1.18 0.25 1.24 4.02 0.42 -4.83 117.16 120.15 1kfy n TYR 84 Ca 0.16 -1.74 0.17 0.00 -0.01 0.00 0.00 57.90 56.48 1kfy n TYR 84 Cb 0.48 -0.27 0.89 0.00 -0.02 0.00 0.00 39.34 40.41 1kfy n TYR 84 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1kfy h THR 85 N 2.52 0.45 -0.61 -0.72 1.35 -1.76 -1.78 112.91 112.36 1kfy h THR 85 Ca 0.11 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.74 1kfy h THR 85 Cb 1.33 0.90 -0.14 0.00 -1.73 0.00 0.00 68.15 68.52 1kfy h THR 85 CO 0.32 0.00 0.29 0.47 -0.25 0.00 0.00 175.52 176.35 1kfy n ASP 86 N -3.75 3.95 0.00 5.36 8.00 -1.26 -4.97 116.55 123.88 1kfy n ASP 86 Ca -0.01 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.51 1kfy n ASP 86 Cb 0.22 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1kfy n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kfy n GLY 87 N -0.23 3.42 3.01 0.44 0.00 -0.67 -5.13 105.19 106.03 1kfy n GLY 87 Ca 0.35 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 1kfy n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kfy s MET 88 N -4.95 0.16 -0.14 1.61 1.75 -1.26 -4.79 119.30 111.68 1kfy s MET 88 Ca 0.00 0.70 0.01 0.00 -1.25 0.00 0.00 55.69 55.15 1kfy s MET 88 Cb 0.00 -0.06 0.02 0.00 2.84 0.00 0.00 34.83 37.63 1kfy s MET 88 CO 0.00 -0.26 -0.16 0.21 -0.65 0.00 0.00 175.02 174.16 1kfy s LYS 89 N 2.17 2.46 -0.24 4.11 2.20 -1.26 -0.96 119.74 128.22 1kfy s LYS 89 Ca -0.01 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 1kfy s LYS 89 Cb -0.12 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1kfy s LYS 89 CO -0.08 -0.14 0.06 0.08 -0.36 0.00 0.00 175.35 174.90 1kfy s VAL 90 N 1.20 4.32 0.20 4.02 1.01 0.17 -1.25 120.40 130.07 1kfy s VAL 90 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1kfy s VAL 90 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1kfy s VAL 90 CO -0.07 0.36 -0.07 -1.61 0.00 0.00 0.00 175.10 173.71 1kfy s GLU 91 N 1.46 1.25 0.40 2.72 2.02 -0.74 -0.63 118.70 125.18 1kfy s GLU 91 Ca 0.06 -1.58 -0.27 0.00 0.02 0.00 0.00 54.97 53.20 1kfy s GLU 91 Cb -0.15 -0.76 -0.09 0.00 0.10 0.00 0.00 34.13 33.23 1kfy s GLU 91 CO 0.03 0.03 1.39 0.00 0.02 0.00 0.00 175.26 176.74 1kfy s ALA 92 N -3.26 3.37 -0.47 5.21 0.00 -1.26 -0.89 121.76 124.45 1kfy s ALA 92 Ca 0.23 1.41 -0.43 0.00 0.00 0.00 0.00 51.96 53.16 1kfy s ALA 92 Cb 0.03 -3.55 -0.19 0.00 0.00 0.00 0.00 23.12 19.41 1kfy s ALA 92 CO 0.05 -0.98 1.71 -0.11 0.00 0.00 0.00 175.76 176.43 1kfy n LEU 93 N 0.21 0.98 -4.54 0.00 7.94 -1.26 -4.53 117.00 115.79 1kfy n LEU 93 Ca 0.03 0.94 -0.32 0.00 -1.11 0.00 0.00 56.01 55.55 1kfy n LEU 93 Cb 0.42 -0.84 0.14 0.00 0.53 0.00 0.00 43.42 43.66 1kfy n LEU 93 CO 0.59 -0.77 0.29 0.00 -1.11 0.00 0.00 177.39 176.40 1kfy n ALA 94 N 5.06 -1.67 -1.88 1.96 0.00 -1.26 -3.44 120.51 119.27 1kfy n ALA 94 Ca 0.38 -0.56 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 1kfy n ALA 94 Cb -0.05 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 1kfy n ALA 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kfy n ASN 95 N -2.67 -5.20 -4.00 0.00 3.02 -1.26 -4.13 115.26 101.02 1kfy n ASN 95 Ca 0.09 0.24 -0.11 0.00 -0.03 0.00 0.00 54.58 54.78 1kfy n ASN 95 Cb 0.53 -4.27 -0.11 0.00 -0.61 0.00 0.00 39.78 35.31 1kfy n ASN 95 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1kfy s PHE 96 N -2.77 0.40 0.09 3.10 0.08 -1.22 -4.95 117.98 112.71 1kfy s PHE 96 Ca 0.00 -0.49 -0.31 0.00 0.12 0.00 0.00 56.93 56.25 1kfy s PHE 96 Cb 0.00 -0.26 -0.07 0.00 -0.57 0.00 0.00 43.02 42.12 1kfy s PHE 96 CO 0.00 -0.14 1.39 -2.14 -0.10 0.00 0.00 175.22 174.22 1kfy s PRO 97 N -1.43 4.32 -0.22 0.24 0.02 -1.26 -4.87 135.00 131.80 1kfy s PRO 97 Ca -0.13 2.04 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 1kfy s PRO 97 Cb -0.10 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 1kfy s PRO 97 CO -0.00 -0.46 1.23 0.42 -0.33 0.00 0.00 177.00 177.86 1kfy s ILE 98 N 1.40 4.31 -0.14 2.83 1.01 -1.26 -1.66 121.20 127.69 1kfy s ILE 98 Ca 0.64 1.56 -0.19 0.00 0.00 0.00 0.00 60.65 62.66 1kfy s ILE 98 Cb -0.35 -4.10 -0.25 0.00 0.01 0.00 0.00 42.46 37.77 1kfy s ILE 98 CO 0.30 -0.24 0.49 -0.33 0.00 0.00 0.00 174.94 175.15 1kfy h GLU 99 N 8.38 0.14 -1.55 2.79 4.39 -1.53 -3.48 114.58 123.72 1kfy h GLU 99 Ca -0.25 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 59.31 1kfy h GLU 99 Cb 1.09 0.09 -0.27 0.00 -0.10 0.00 0.00 28.75 29.56 1kfy h GLU 99 CO 0.99 1.12 0.39 0.50 -1.16 0.00 0.00 179.01 180.85 1kfy s ARG 100 N -2.41 0.40 0.44 2.33 6.06 -0.96 -4.48 118.95 120.32 1kfy s ARG 100 Ca -0.22 0.65 0.00 0.00 -2.50 0.00 0.00 55.73 53.66 1kfy s ARG 100 Cb 0.04 0.10 0.00 0.00 0.06 0.00 0.00 34.95 35.15 1kfy s ARG 100 CO 0.71 -0.08 0.00 -0.25 -2.50 0.00 0.00 175.30 173.18 1kfy n ASP 101 N 3.47 0.00 -1.82 -2.12 8.00 -0.41 0.11 116.55 123.78 1kfy n ASP 101 Ca -0.18 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.33 1kfy n ASP 101 Cb 0.57 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 42.01 1kfy n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kfy n LEU 102 N 0.00 5.68 -4.42 0.64 4.77 -1.12 -4.41 117.00 118.13 1kfy n LEU 102 Ca 0.00 -3.11 -0.33 0.00 -0.03 0.00 0.00 56.01 52.53 1kfy n LEU 102 Cb 0.00 -0.70 -0.13 0.00 -2.33 0.00 0.00 43.42 40.26 1kfy n LEU 102 CO 0.00 0.74 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.71 1kfy s VAL 103 N -2.91 3.44 0.30 4.08 1.01 0.30 -4.52 120.40 122.10 1kfy s VAL 103 Ca 0.53 -0.52 0.11 0.00 0.00 0.00 0.00 61.98 62.10 1kfy s VAL 103 Cb 0.42 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1kfy s VAL 103 CO 0.13 0.50 -0.14 0.68 0.00 0.00 0.00 175.10 176.28 1kfy s VAL 104 N 0.43 2.52 -0.45 2.92 -7.23 -1.26 -1.31 120.40 116.02 1kfy s VAL 104 Ca -0.07 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.54 1kfy s VAL 104 Cb -0.15 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1kfy s VAL 104 CO 0.04 -0.33 1.26 -0.62 -0.31 0.00 0.00 175.10 175.14 1kfy s ASP 105 N -3.57 6.50 -0.02 4.85 -1.08 -0.66 -4.84 116.67 117.85 1kfy s ASP 105 Ca 0.31 0.62 0.11 0.00 -0.52 0.00 0.00 52.55 53.08 1kfy s ASP 105 Cb -0.03 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.24 1kfy s ASP 105 CO 0.16 -1.33 1.26 0.23 0.52 0.00 0.00 175.17 176.01 1kfy n MET 106 N 7.95 2.04 -0.13 4.34 2.81 -1.26 -4.50 117.12 128.37 1kfy n MET 106 Ca 0.14 -1.41 -0.04 0.00 -1.81 0.00 0.00 57.70 54.58 1kfy n MET 106 Cb 0.49 -1.38 0.03 0.00 -0.71 0.00 0.00 33.22 31.64 1kfy n MET 106 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1kfy h THR 107 N 2.21 0.60 -0.43 2.03 2.02 -2.00 -1.99 112.91 115.35 1kfy h THR 107 Ca 0.00 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1kfy h THR 107 Cb 0.61 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1kfy h THR 107 CO 0.03 0.01 0.19 -0.74 0.37 0.00 0.00 175.52 175.38 1kfy h HIS 108 N 0.03 0.35 0.01 3.16 2.76 -1.99 0.44 115.15 119.91 1kfy h HIS 108 Ca 0.21 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1kfy h HIS 108 Cb 0.32 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1kfy h HIS 108 CO -0.34 0.16 -0.34 0.35 -1.30 0.00 0.00 177.93 176.45 1kfy h PHE 109 N 0.39 -1.01 -0.62 5.26 3.57 -1.74 0.40 116.94 123.18 1kfy h PHE 109 Ca 0.19 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.85 1kfy h PHE 109 Cb 0.13 0.44 -0.12 0.00 2.79 0.00 0.00 35.95 39.19 1kfy h PHE 109 CO -0.12 -0.37 -0.14 0.82 -2.23 0.00 0.00 178.31 176.27 1kfy h ILE 110 N -0.44 0.39 -0.52 1.41 1.08 -0.76 0.40 117.51 119.07 1kfy h ILE 110 Ca 0.01 -0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1kfy h ILE 110 Cb 0.47 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1kfy h ILE 110 CO -0.23 0.00 0.17 -0.33 -0.69 0.00 0.00 178.15 177.08 1kfy h GLU 111 N 0.01 0.80 -0.01 2.37 5.08 -0.57 0.13 114.58 122.39 1kfy h GLU 111 Ca 0.30 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1kfy h GLU 111 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1kfy h GLU 111 CO -0.63 0.73 -0.08 0.77 -1.00 0.00 0.00 179.01 178.80 1kfy h SER 112 N 0.70 -0.22 -0.66 1.42 0.02 0.13 0.18 113.55 115.12 1kfy h SER 112 Ca 0.17 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1kfy h SER 112 Cb 0.26 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1kfy h SER 112 CO -0.01 -0.11 0.43 0.25 -1.14 0.00 0.00 176.83 176.25 1kfy h LEU 113 N -0.13 0.58 -0.24 5.07 6.46 0.07 -2.10 115.31 125.03 1kfy h LEU 113 Ca 0.04 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.64 1kfy h LEU 113 Cb 0.17 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1kfy h LEU 113 CO -0.09 0.38 -0.48 -0.33 -0.62 0.00 0.00 178.44 177.30 1kfy h GLU 114 N 0.67 0.75 -0.16 1.25 5.08 0.82 -3.23 114.58 119.75 1kfy h GLU 114 Ca 0.28 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1kfy h GLU 114 Cb 0.26 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1kfy h GLU 114 CO -0.09 1.11 0.32 0.00 -1.00 0.00 0.00 179.01 179.35 1kfy h ALA 115 N 0.63 1.64 -0.50 3.43 0.00 0.01 -1.29 119.26 123.18 1kfy h ALA 115 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kfy h ALA 115 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1kfy h ALA 115 CO 0.11 -0.40 0.00 0.44 0.00 0.00 0.00 179.25 179.39 1kfy n ILE 116 N -3.32 0.93 -3.47 0.00 -6.64 -1.22 -4.95 119.36 100.69 1kfy n ILE 116 Ca 0.01 -0.75 -0.20 0.00 -1.77 0.00 0.00 62.75 60.05 1kfy n ILE 116 Cb 0.42 0.22 0.03 0.00 -1.44 0.00 0.00 39.64 38.88 1kfy n ILE 116 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1kfy n LYS 117 N 0.93 -1.46 -0.92 6.28 4.76 -0.49 -4.78 118.16 122.48 1kfy n LYS 117 Ca 0.18 0.84 -0.27 0.00 -2.87 0.00 0.00 58.31 56.19 1kfy n LYS 117 Cb 0.53 -4.55 -0.03 0.00 -1.84 0.00 0.00 35.03 29.15 1kfy n LYS 117 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1kfy n PRO 118 N -3.15 2.58 -3.64 1.97 -0.04 -1.26 -4.82 135.00 126.63 1kfy n PRO 118 Ca -0.10 -1.66 -0.16 0.00 -0.04 0.00 0.00 63.50 61.54 1kfy n PRO 118 Cb 0.59 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.44 1kfy n PRO 118 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1kfy s TYR 119 N 2.93 -0.41 -0.02 0.54 1.13 -1.26 -5.08 117.35 115.18 1kfy s TYR 119 Ca 0.50 0.68 -0.36 0.00 -1.41 0.00 0.00 57.07 56.48 1kfy s TYR 119 Cb 0.13 0.25 -0.14 0.00 -1.10 0.00 0.00 41.96 41.10 1kfy s TYR 119 CO -0.04 -0.50 1.66 -0.89 -2.51 0.00 0.00 175.55 173.27 1kfy n ILE 120 N 1.10 0.25 -4.96 -3.49 2.08 -1.26 -4.95 119.36 108.12 1kfy n ILE 120 Ca -0.20 -0.04 -0.28 0.00 0.56 0.00 0.00 62.75 62.78 1kfy n ILE 120 Cb 0.56 -1.43 -0.16 0.00 -0.75 0.00 0.00 39.64 37.86 1kfy n ILE 120 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1kfy s ILE 121 N 2.36 1.64 -0.01 1.39 1.01 -1.26 -4.84 121.20 121.49 1kfy s ILE 121 Ca 0.88 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1kfy s ILE 121 Cb -0.82 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1kfy s ILE 121 CO 0.50 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.51 1kfy n GLY 122 N 3.32 0.47 3.50 6.18 0.00 -1.26 -0.57 105.19 116.83 1kfy n GLY 122 Ca -0.19 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1kfy n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kfy s ASN 123 N -2.24 5.77 0.21 1.61 3.84 -1.26 -4.77 114.94 118.10 1kfy s ASN 123 Ca 0.00 -0.38 0.26 0.00 0.21 0.00 0.00 52.86 52.95 1kfy s ASN 123 Cb 0.00 -2.06 0.86 0.00 -0.55 0.00 0.00 41.25 39.49 1kfy s ASN 123 CO 0.00 -0.17 1.77 -1.54 -2.79 0.00 0.00 177.10 174.37 1kfy n SER 124 N 5.03 0.76 -4.55 -4.21 3.41 -1.26 -4.92 113.62 107.88 1kfy n SER 124 Ca -0.14 0.59 -0.46 0.00 -0.26 0.00 0.00 58.87 58.60 1kfy n SER 124 Cb 0.50 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1kfy n SER 124 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1kfy n ARG 125 N -2.24 1.06 -4.34 4.33 0.63 -1.26 -5.00 116.66 109.84 1kfy n ARG 125 Ca 0.05 0.37 -0.28 0.00 -0.92 0.00 0.00 57.85 57.07 1kfy n ARG 125 Cb 0.39 -1.70 -0.11 0.00 0.45 0.00 0.00 32.46 31.49 1kfy n ARG 125 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1kfy s THR 126 N -0.86 2.77 0.22 5.15 -4.23 -1.26 -5.05 115.64 112.38 1kfy s THR 126 Ca 0.63 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1kfy s THR 126 Cb -0.78 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.03 1kfy s THR 126 CO 0.58 -0.05 1.35 0.00 -0.54 0.00 0.00 174.62 175.96 1kfy n ALA 127 N 0.36 0.04 0.26 3.99 0.00 -1.26 -0.43 120.51 123.47 1kfy n ALA 127 Ca -0.13 0.91 0.18 0.00 0.00 0.00 0.00 53.44 54.40 1kfy n ALA 127 Cb 0.55 -0.47 0.90 0.00 0.00 0.00 0.00 19.45 20.43 1kfy n ALA 127 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1kfy h ASP 128 N 0.00 0.00 0.38 0.00 2.03 -2.03 0.09 116.42 116.89 1kfy h ASP 128 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1kfy h ASP 128 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1kfy h ASP 128 CO -0.88 0.00 -0.11 0.00 -1.03 0.00 0.00 179.24 177.22 1kfy n GLN 129 N -3.41 0.66 0.00 4.15 6.02 0.43 -5.04 117.38 120.19 1kfy n GLN 129 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1kfy n GLN 129 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1kfy n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kfy n GLY 130 N 1.29 -3.18 3.91 1.08 0.00 0.02 -4.99 105.19 103.31 1kfy n GLY 130 Ca 0.14 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 1kfy n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfy s THR 131 N -0.61 4.92 1.11 2.61 -4.23 -1.26 -4.66 115.64 113.51 1kfy s THR 131 Ca 0.00 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.56 1kfy s THR 131 Cb 0.00 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.23 1kfy s THR 131 CO 0.00 -0.83 1.05 0.20 -0.54 0.00 0.00 174.62 174.50 1kfy s ASN 132 N -4.09 1.44 -0.26 3.99 0.01 -1.26 -4.98 114.94 109.79 1kfy s ASN 132 Ca 0.47 1.66 -0.07 0.00 -0.71 0.00 0.00 52.86 54.20 1kfy s ASN 132 Cb -0.10 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 1kfy s ASN 132 CO 0.44 -3.94 0.07 -0.63 -1.51 0.00 0.00 177.10 171.54 1kfy s ILE 133 N -2.52 4.17 -0.06 0.60 -1.09 -1.26 -5.07 121.20 115.97 1kfy s ILE 133 Ca 0.68 -0.34 -0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1kfy s ILE 133 Cb -0.24 -3.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1kfy s ILE 133 CO 0.63 0.27 -0.02 -1.58 -1.23 0.00 0.00 174.94 173.01 1kfy s GLN 134 N 1.58 0.66 0.64 2.79 0.74 -1.26 -5.04 119.66 119.77 1kfy s GLN 134 Ca 0.05 0.02 -0.08 0.00 0.05 0.00 0.00 55.36 55.40 1kfy s GLN 134 Cb -0.16 -0.86 0.02 0.00 1.10 0.00 0.00 33.01 33.11 1kfy s GLN 134 CO 0.03 -0.19 0.98 0.95 -0.55 0.00 0.00 175.29 176.50 1kfy s THR 135 N 1.43 3.35 0.29 -0.34 -4.23 -1.26 -4.89 115.64 109.98 1kfy s THR 135 Ca -0.03 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1kfy s THR 135 Cb -0.13 -3.38 0.24 0.00 1.34 0.00 0.00 72.50 70.57 1kfy s THR 135 CO -0.03 -0.42 1.93 -0.65 -0.54 0.00 0.00 174.62 174.91 1kfy h PRO 136 N -0.39 1.08 -0.85 3.99 0.11 -2.01 -1.64 132.00 132.29 1kfy h PRO 136 Ca -0.45 -0.09 0.11 0.00 0.11 0.00 0.00 66.00 65.67 1kfy h PRO 136 Cb 1.27 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1kfy h PRO 136 CO 0.62 0.76 0.55 0.00 -0.21 0.00 0.00 178.00 179.71 1kfy h ALA 137 N 1.43 1.73 -0.02 -0.75 0.00 -2.00 0.41 119.26 120.06 1kfy h ALA 137 Ca 0.29 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 1kfy h ALA 137 Cb -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1kfy h ALA 137 CO -0.05 0.08 -0.98 1.96 0.00 0.00 0.00 179.25 180.26 1kfy h GLN 138 N 0.78 0.70 -0.35 0.00 4.20 -1.69 -3.25 115.11 115.48 1kfy h GLN 138 Ca 0.40 -0.72 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 1kfy h GLN 138 Cb 0.50 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1kfy h GLN 138 CO -0.17 1.31 -0.07 1.98 -0.67 0.00 0.00 178.83 181.21 1kfy h MET 139 N 0.38 0.58 -0.20 1.46 4.05 -0.50 -2.19 114.93 118.51 1kfy h MET 139 Ca -0.12 -0.16 0.06 0.00 -0.28 0.00 0.00 59.70 59.21 1kfy h MET 139 Cb 1.63 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.36 1kfy h MET 139 CO 0.19 0.66 0.29 0.00 0.23 0.00 0.00 176.91 178.28 1kfy h ALA 140 N 1.39 1.75 -0.15 0.39 0.00 -0.98 0.14 119.26 121.79 1kfy h ALA 140 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1kfy h ALA 140 Cb 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1kfy h ALA 140 CO 0.02 -0.39 0.02 -0.22 0.00 0.00 0.00 179.25 178.68 1kfy h LYS 141 N 0.00 0.22 0.00 0.00 1.63 -1.52 -3.31 116.57 113.59 1kfy h LYS 141 Ca 0.10 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1kfy h LYS 141 Cb 0.67 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1kfy h LYS 141 CO -0.00 0.22 -0.02 2.48 -3.45 0.00 0.00 179.45 178.68 1kfy n TYR 142 N -4.43 0.00 -0.24 1.91 0.18 -0.59 -4.92 117.16 109.07 1kfy n TYR 142 Ca -0.01 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.70 1kfy n TYR 142 Cb 0.15 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.04 1kfy n TYR 142 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 1kfy h HIS 143 N 0.00 -1.15 -0.91 -3.48 2.76 -0.85 0.32 115.15 111.83 1kfy h HIS 143 Ca 0.00 0.08 0.26 0.00 -2.20 0.00 0.00 60.37 58.50 1kfy h HIS 143 Cb 0.00 0.58 -0.14 0.00 1.55 0.00 0.00 27.41 29.40 1kfy h HIS 143 CO 0.00 -0.23 0.32 0.37 -1.30 0.00 0.00 177.93 177.08 1kfy h GLN 144 N -0.02 0.23 0.00 5.26 4.15 -1.86 0.41 115.11 123.28 1kfy h GLN 144 Ca 0.09 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1kfy h GLN 144 Cb 0.26 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1kfy h GLN 144 CO -0.56 0.15 0.00 1.19 -1.93 0.00 0.00 178.83 177.68 1kfy n PHE 145 N -5.19 0.00 1.08 3.99 3.72 0.08 -2.52 117.46 118.63 1kfy n PHE 145 Ca 0.24 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 1kfy n PHE 145 Cb 0.76 -0.06 0.17 0.00 -0.94 0.00 0.00 39.48 39.41 1kfy n PHE 145 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1kfy n SER 146 N -1.06 1.13 -0.49 4.37 3.41 0.14 -4.39 113.62 116.74 1kfy n SER 146 Ca 0.15 -0.90 0.01 0.00 -0.26 0.00 0.00 58.87 57.88 1kfy n SER 146 Cb 0.09 0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 1kfy n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfy n GLY 147 N 1.43 0.84 3.68 5.00 0.00 -1.05 -4.87 105.19 110.22 1kfy n GLY 147 Ca 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1kfy n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n ILE 149 N 4.91 1.05 -3.95 0.00 -5.35 -1.26 -4.92 119.36 109.84 1kfy n ILE 149 Ca 0.13 -0.82 -0.31 0.00 -0.27 0.00 0.00 62.75 61.48 1kfy n ILE 149 Cb 0.45 0.22 0.02 0.00 -1.74 0.00 0.00 39.64 38.59 1kfy n ILE 149 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1kfy n ASN 150 N 0.99 -4.45 0.08 7.28 3.02 -1.26 -4.32 115.26 116.60 1kfy n ASN 150 Ca 0.19 -0.81 -0.07 0.00 -0.03 0.00 0.00 54.58 53.86 1kfy n ASN 150 Cb 0.58 -3.73 0.07 0.00 -0.61 0.00 0.00 39.78 36.09 1kfy n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfy n GLY 152 N 0.51 0.74 0.26 0.00 0.00 -1.26 -4.64 105.19 100.80 1kfy n GLY 152 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1kfy n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kfy h LEU 153 N 0.00 0.41 -1.50 0.99 3.38 -1.95 -2.49 115.31 114.15 1kfy h LEU 153 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1kfy h LEU 153 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1kfy h LEU 153 CO 0.00 0.51 0.15 0.00 0.09 0.00 0.00 178.44 179.18 1kfy h TYR 155 N 0.48 0.00 0.00 0.00 -1.99 -1.83 0.30 116.97 113.94 1kfy h TYR 155 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1kfy h TYR 155 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1kfy h TYR 155 CO 0.00 0.41 -0.14 0.00 -0.00 0.00 0.00 178.16 178.43 1kfy n ALA 156 N -2.35 2.54 -0.05 3.88 0.00 0.05 -3.59 120.51 120.99 1kfy n ALA 156 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1kfy n ALA 156 Cb 0.49 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 1kfy n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy n ALA 157 N -1.63 1.43 -2.30 0.00 0.00 -0.28 -4.78 120.51 112.94 1kfy n ALA 157 Ca 0.06 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 1kfy n ALA 157 Cb 0.38 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1kfy n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy h PRO 159 N 8.55 0.00 -0.47 0.00 0.13 -1.91 -2.98 132.00 135.31 1kfy h PRO 159 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 1kfy h PRO 159 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1kfy h PRO 159 CO 0.96 0.74 0.17 1.96 -0.23 0.00 0.00 178.00 181.60 1kfy h GLN 160 N 0.00 0.68 -0.28 0.86 1.08 -1.91 -1.02 115.11 114.52 1kfy h GLN 160 Ca -0.01 -0.10 -0.18 0.00 -1.45 0.00 0.00 58.65 56.91 1kfy h GLN 160 Cb 1.35 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1kfy h GLN 160 CO 0.10 0.58 -0.53 0.35 -0.95 0.00 0.00 178.83 178.38 1kfy h PHE 161 N 0.67 1.02 0.00 2.96 3.57 -1.79 0.22 116.94 123.60 1kfy h PHE 161 Ca 0.16 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 1kfy h PHE 161 Cb 0.17 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1kfy h PHE 161 CO 0.01 1.17 -0.09 0.78 -2.23 0.00 0.00 178.31 177.95 1kfy h GLY 162 N 0.78 0.00 0.73 2.40 0.00 -1.27 -2.66 103.07 103.05 1kfy h GLY 162 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.02 1kfy h GLY 162 CO 0.12 0.00 -1.90 1.04 0.00 0.00 0.00 176.54 175.80 1kfy n LEU 163 N -3.35 1.36 -3.69 3.11 4.77 -0.44 -4.70 117.00 114.07 1kfy n LEU 163 Ca -0.01 0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 1kfy n LEU 163 Cb 0.27 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1kfy n LEU 163 CO 0.28 0.55 -0.16 0.21 -1.33 0.00 0.00 177.39 176.95 1kfy s ASN 164 N -6.30 3.40 0.00 -1.43 3.84 0.76 -4.98 114.94 110.23 1kfy s ASN 164 Ca -0.11 -3.49 0.00 0.00 0.21 0.00 0.00 52.86 49.46 1kfy s ASN 164 Cb 0.07 -1.13 0.00 0.00 -0.55 0.00 0.00 41.25 39.65 1kfy s ASN 164 CO 0.80 -0.13 0.69 -2.65 -2.79 0.00 0.00 177.10 173.03 1kfy n PRO 165 N 2.38 0.00 0.00 0.43 -0.02 -1.05 -0.49 135.00 136.26 1kfy n PRO 165 Ca 0.23 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1kfy n PRO 165 Cb 0.40 -1.57 0.22 0.00 -0.02 0.00 0.00 33.50 32.53 1kfy n PRO 165 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kfy n GLU 166 N -1.19 0.10 -1.68 -0.52 -0.58 -1.26 -4.87 120.64 110.64 1kfy n GLU 166 Ca 0.00 -0.06 -0.44 0.00 -0.42 0.00 0.00 57.16 56.23 1kfy n GLU 166 Cb 0.07 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.41 1kfy n GLU 166 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kfy n PHE 167 N -1.39 2.48 0.30 -0.32 7.35 0.36 -4.84 117.46 121.40 1kfy n PHE 167 Ca 0.06 -0.04 0.18 0.00 -0.76 0.00 0.00 57.45 56.88 1kfy n PHE 167 Cb 0.34 -2.68 0.96 0.00 0.35 0.00 0.00 39.48 38.45 1kfy n PHE 167 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 1kfy h ILE 168 N 4.67 0.30 0.00 -2.13 3.07 -0.99 -3.48 117.51 118.94 1kfy h ILE 168 Ca -0.47 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 65.76 1kfy h ILE 168 Cb 1.24 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1kfy h ILE 168 CO 0.94 0.03 0.00 0.61 -1.05 0.00 0.00 178.15 178.67 1kfy n GLY 169 N -0.95 2.11 0.53 0.16 0.00 -1.26 -4.45 105.19 101.32 1kfy n GLY 169 Ca -0.02 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 1kfy n GLY 169 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfy h PRO 170 N 0.00 -1.22 -0.24 1.61 0.13 -1.93 -2.09 132.00 128.26 1kfy h PRO 170 Ca 0.00 0.08 0.06 0.00 -0.87 0.00 0.00 66.00 65.27 1kfy h PRO 170 Cb 0.00 0.28 -0.07 0.00 0.13 0.00 0.00 31.00 31.33 1kfy h PRO 170 CO 0.00 -0.82 -0.31 0.00 -0.23 0.00 0.00 178.00 176.64 1kfy h ALA 171 N -1.23 -0.27 -0.36 -0.56 0.00 -1.96 0.22 119.26 115.11 1kfy h ALA 171 Ca -0.12 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1kfy h ALA 171 Cb 1.00 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 1kfy h ALA 171 CO 0.15 -0.75 -0.32 0.00 0.00 0.00 0.00 179.25 178.33 1kfy h ALA 172 N 0.59 -0.20 -0.68 0.00 0.00 -1.77 0.54 119.26 117.75 1kfy h ALA 172 Ca 0.13 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kfy h ALA 172 Cb 0.53 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1kfy h ALA 172 CO -0.42 -0.73 0.44 0.82 0.00 0.00 0.00 179.25 179.36 1kfy h ILE 173 N -0.27 1.15 -0.29 0.00 2.04 -0.66 -1.06 117.51 118.42 1kfy h ILE 173 Ca 0.16 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1kfy h ILE 173 Cb 0.53 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1kfy h ILE 173 CO -0.50 0.16 0.18 0.74 0.00 0.00 0.00 178.15 178.73 1kfy h THR 174 N 0.89 1.09 -0.47 -0.27 2.02 0.69 0.25 112.91 117.11 1kfy h THR 174 Ca 0.26 -0.20 0.08 0.00 0.77 0.00 0.00 66.41 67.32 1kfy h THR 174 Cb -0.06 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 1kfy h THR 174 CO -0.07 0.09 0.08 0.25 0.37 0.00 0.00 175.52 176.23 1kfy h LEU 175 N 0.37 -0.04 -0.26 2.58 5.85 0.71 0.55 115.31 125.08 1kfy h LEU 175 Ca 0.10 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1kfy h LEU 175 Cb -0.01 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1kfy h LEU 175 CO -0.02 0.01 0.10 0.00 -0.34 0.00 0.00 178.44 178.19 1kfy h ALA 176 N 1.38 0.30 -0.93 1.25 0.00 -0.49 -1.50 119.26 119.26 1kfy h ALA 176 Ca 0.24 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1kfy h ALA 176 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1kfy h ALA 176 CO -0.32 -0.31 0.61 1.25 0.00 0.00 0.00 179.25 180.48 1kfy h HIS 177 N 0.22 1.16 -0.99 0.00 -0.00 0.78 -0.66 115.15 115.66 1kfy h HIS 177 Ca 0.11 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.66 1kfy h HIS 177 Cb 0.08 -0.39 -0.09 0.00 -0.00 0.00 0.00 27.41 27.00 1kfy h HIS 177 CO -0.12 0.71 0.61 -0.09 -0.00 0.00 0.00 177.93 179.03 1kfy h ARG 178 N 1.23 0.85 0.17 5.26 1.12 0.11 -0.04 114.38 123.09 1kfy h ARG 178 Ca 0.35 -0.05 -0.32 0.00 -1.11 0.00 0.00 59.98 58.86 1kfy h ARG 178 Cb -0.09 -0.19 0.01 0.00 -0.01 0.00 0.00 29.97 29.69 1kfy h ARG 178 CO -0.09 0.56 -1.48 1.88 -3.11 0.00 0.00 179.97 177.73 1kfy h TYR 179 N 0.88 0.67 -0.50 2.20 0.05 -1.04 -3.08 116.97 116.15 1kfy h TYR 179 Ca 0.53 -0.49 0.05 0.00 0.05 0.00 0.00 58.73 58.87 1kfy h TYR 179 Cb 0.66 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 1kfy h TYR 179 CO -0.01 1.46 0.23 -0.91 -1.05 0.00 0.00 178.16 177.88 1kfy h ASN 180 N 0.10 0.31 0.36 3.88 2.35 -0.32 -2.30 115.58 119.95 1kfy h ASN 180 Ca -0.24 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1kfy h ASN 180 Cb 2.07 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.42 1kfy h ASN 180 CO 0.21 0.21 0.00 -0.62 -1.65 0.00 0.00 177.43 175.58 1kfy n GLU 181 N -4.92 0.47 -2.69 0.81 -0.58 -0.11 -4.74 120.64 108.88 1kfy n GLU 181 Ca 0.04 0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.39 1kfy n GLU 181 Cb 0.15 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1kfy n GLU 181 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kfy s ASP 182 N -2.43 6.70 0.00 1.62 3.68 -0.87 -4.57 116.67 120.81 1kfy s ASP 182 Ca 0.28 0.59 0.00 0.00 2.13 0.00 0.00 52.55 55.55 1kfy s ASP 182 Cb 0.17 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 39.13 1kfy s ASP 182 CO 0.36 -1.03 0.43 -1.54 0.13 0.00 0.00 175.17 173.52 1kfy n SER 183 N 7.24 0.00 -0.00 -0.34 3.41 -1.26 -0.58 113.62 122.08 1kfy n SER 183 Ca 0.10 0.04 0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1kfy n SER 183 Cb 0.48 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1kfy n SER 183 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kfy n ARG 184 N -0.93 0.92 -3.75 4.33 1.74 -1.26 -4.96 116.66 112.75 1kfy n ARG 184 Ca 0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 1kfy n ARG 184 Cb 0.01 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 1kfy n ARG 184 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1kfy s ASP 185 N -3.11 6.49 -0.34 0.55 -1.08 0.25 -4.63 116.67 114.79 1kfy s ASP 185 Ca 0.03 0.54 0.16 0.00 -0.52 0.00 0.00 52.55 52.76 1kfy s ASP 185 Cb 0.13 -2.08 0.44 0.00 -1.46 0.00 0.00 42.92 39.95 1kfy s ASP 185 CO 0.75 0.19 0.94 1.41 0.52 0.00 0.00 175.17 178.98 1kfy n HIS 186 N 0.76 1.31 -2.71 -5.34 8.25 0.26 -4.86 115.22 112.89 1kfy n HIS 186 Ca -0.08 -2.95 -0.02 0.00 -0.26 0.00 0.00 57.72 54.41 1kfy n HIS 186 Cb 0.52 -0.36 0.05 0.00 1.12 0.00 0.00 29.99 31.32 1kfy n HIS 186 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfy n GLY 187 N -0.07 2.16 0.29 -1.41 0.00 -1.19 -4.46 105.19 100.51 1kfy n GLY 187 Ca 0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 1kfy n GLY 187 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfy h LYS 188 N 2.38 0.84 0.00 1.61 3.64 -1.92 -2.69 116.57 120.43 1kfy h LYS 188 Ca -0.10 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1kfy h LYS 188 Cb 1.36 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1kfy h LYS 188 CO 0.22 0.83 -0.16 1.57 -2.27 0.00 0.00 179.45 179.64 1kfy h LYS 189 N 0.78 0.00 0.00 1.90 2.10 -2.01 -1.62 116.57 117.72 1kfy h LYS 189 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1kfy h LYS 189 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1kfy h LYS 189 CO 0.02 0.16 0.00 0.93 -2.00 0.00 0.00 179.45 178.56 1kfy h GLU 190 N 0.00 0.00 0.00 0.07 4.39 -1.86 -3.28 114.58 113.90 1kfy h GLU 190 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1kfy h GLU 190 Cb 0.52 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1kfy h GLU 190 CO 0.02 0.00 -2.10 0.54 -1.16 0.00 0.00 179.01 176.31 1kfy n ARG 191 N -2.65 1.29 -0.29 2.33 1.74 -0.82 -4.63 116.66 113.62 1kfy n ARG 191 Ca 0.03 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1kfy n ARG 191 Cb 0.36 -1.41 0.26 0.00 -1.02 0.00 0.00 32.46 30.66 1kfy n ARG 191 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1kfy h MET 192 N 0.00 0.41 -0.59 5.56 2.86 -1.38 -2.09 114.93 119.70 1kfy h MET 192 Ca -0.43 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.29 1kfy h MET 192 Cb 1.95 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 33.40 1kfy h MET 192 CO 0.01 0.27 -0.32 0.00 1.06 0.00 0.00 176.91 177.93 1kfy h ALA 193 N 1.65 -0.02 -0.83 6.32 0.00 -1.82 0.41 119.26 124.97 1kfy h ALA 193 Ca 0.50 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 1kfy h ALA 193 Cb 0.89 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1kfy h ALA 193 CO -0.49 -0.66 0.36 1.96 0.00 0.00 0.00 179.25 180.42 1kfy h GLN 194 N -0.16 1.22 0.00 0.00 1.08 -1.71 -1.84 115.11 113.70 1kfy h GLN 194 Ca 0.24 -0.20 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1kfy h GLN 194 Cb 0.55 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1kfy h GLN 194 CO -0.68 0.96 -0.50 -0.07 -0.95 0.00 0.00 178.83 177.60 1kfy h LEU 195 N 1.19 0.00 0.00 1.46 3.38 -0.89 -3.01 115.31 117.44 1kfy h LEU 195 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1kfy h LEU 195 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1kfy h LEU 195 CO -0.03 0.50 -0.05 0.78 0.09 0.00 0.00 178.44 179.73 1kfy h ASN 196 N 0.00 0.00 -3.49 -0.43 2.35 0.31 -1.47 115.58 112.84 1kfy h ASN 196 Ca -0.00 -0.01 -0.46 0.00 -0.55 0.00 0.00 56.30 55.27 1kfy h ASN 196 Cb 0.95 0.00 0.21 0.00 0.05 0.00 0.00 38.32 39.53 1kfy h ASN 196 CO 0.06 0.01 0.06 -0.55 -1.65 0.00 0.00 177.43 175.36 1kfy s SER 197 N -4.76 1.36 0.48 5.81 0.15 -0.74 -4.84 113.70 111.15 1kfy s SER 197 Ca 0.10 1.70 0.27 0.00 0.70 0.00 0.00 55.95 58.72 1kfy s SER 197 Cb 0.11 -2.38 0.86 0.00 -1.71 0.00 0.00 66.02 62.90 1kfy s SER 197 CO 0.62 -4.00 1.80 -0.61 1.20 0.00 0.00 173.24 172.25 1kfy h GLN 198 N -2.48 0.00 -0.63 5.44 5.75 -1.90 -1.78 115.11 119.51 1kfy h GLN 198 Ca -0.57 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1kfy h GLN 198 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1kfy h GLN 198 CO 0.48 0.07 0.00 0.09 -2.65 0.00 0.00 178.83 176.82 1kfy n ASN 199 N -3.15 3.85 0.00 -0.69 3.02 -1.26 -3.22 115.26 113.81 1kfy n ASN 199 Ca 0.02 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 1kfy n ASN 199 Cb 0.43 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1kfy n ASN 199 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kfy n GLY 200 N 1.18 1.88 0.34 7.41 0.00 -0.67 -0.35 105.19 114.99 1kfy n GLY 200 Ca 0.22 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 45.14 1kfy n GLY 200 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kfy h VAL 201 N 0.00 1.07 0.00 1.61 -1.51 -1.44 -2.43 116.25 113.55 1kfy h VAL 201 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1kfy h VAL 201 Cb 0.00 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.44 1kfy h VAL 201 CO 0.00 0.13 0.00 0.79 -1.23 0.00 0.00 177.57 177.26 1kfy n TRP 202 N -4.47 0.00 1.11 5.19 7.02 -1.26 -1.56 117.44 123.48 1kfy n TRP 202 Ca 0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 1kfy n TRP 202 Cb 0.15 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.21 1kfy n TRP 202 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1kfy n SER 203 N -0.89 1.94 -4.69 -0.99 2.88 -0.91 -4.90 113.62 106.05 1kfy n SER 203 Ca 0.06 -1.47 -0.38 0.00 -1.33 0.00 0.00 58.87 55.75 1kfy n SER 203 Cb 0.03 0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 1kfy n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfy n THR 205 N 4.05 2.73 -4.10 0.00 -2.24 -1.26 -4.96 114.28 108.50 1kfy n THR 205 Ca -0.09 -2.44 -0.29 0.00 -2.27 0.00 0.00 64.05 58.96 1kfy n THR 205 Cb 0.51 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1kfy n THR 205 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kfy n PHE 206 N -1.05 -1.55 0.14 4.78 -0.00 -1.26 -4.80 117.46 113.72 1kfy n PHE 206 Ca 0.40 0.72 0.03 0.00 -0.00 0.00 0.00 57.45 58.60 1kfy n PHE 206 Cb 1.21 -3.35 0.43 0.00 -0.00 0.00 0.00 39.48 37.77 1kfy n PHE 206 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1kfy h VAL 207 N -1.75 1.16 0.00 -2.13 2.07 -2.00 -3.46 116.25 110.13 1kfy h VAL 207 Ca -0.63 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1kfy h VAL 207 Cb 1.38 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1kfy h VAL 207 CO 0.68 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.09 1kfy n GLY 208 N -0.96 0.50 0.19 2.17 0.00 -1.26 -4.92 105.19 100.91 1kfy n GLY 208 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1kfy n GLY 208 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1kfy h TYR 209 N 0.00 0.23 -0.07 1.61 3.20 -1.90 -3.11 116.97 116.93 1kfy h TYR 209 Ca 0.00 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.84 1kfy h TYR 209 Cb 0.17 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1kfy h TYR 209 CO 0.11 0.62 -0.31 0.00 -1.64 0.00 0.00 178.16 176.94 1kfy h SER 211 N -0.42 0.34 0.24 0.00 0.02 -1.92 -1.63 113.55 110.18 1kfy h SER 211 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1kfy h SER 211 Cb 0.54 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1kfy h SER 211 CO -0.30 0.21 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.03 1kfy h GLU 212 N 0.38 0.02 0.00 3.45 4.39 -0.84 -3.18 114.58 118.80 1kfy h GLU 212 Ca 0.23 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1kfy h GLU 212 Cb 0.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1kfy h GLU 212 CO -0.06 0.26 -1.73 1.33 -1.16 0.00 0.00 179.01 177.66 1kfy n VAL 213 N -4.24 0.00 -1.38 3.13 0.24 -0.72 -4.96 118.33 110.40 1kfy n VAL 213 Ca -0.02 -0.38 -0.53 0.00 -2.04 0.00 0.00 64.34 61.37 1kfy n VAL 213 Cb 0.30 0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 1kfy n VAL 213 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kfy n PRO 215 N 8.00 0.04 -0.18 0.00 -0.04 -1.26 -2.35 135.00 139.21 1kfy n PRO 215 Ca 0.47 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 64.27 1kfy n PRO 215 Cb 0.13 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1kfy n PRO 215 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1kfy n LYS 216 N -1.45 2.69 -4.14 0.54 4.76 -1.26 -5.01 118.16 114.28 1kfy n LYS 216 Ca 0.03 -2.17 -0.41 0.00 -2.87 0.00 0.00 58.31 52.89 1kfy n LYS 216 Cb 0.12 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1kfy n LYS 216 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1kfy n HIS 217 N -0.26 -1.36 0.04 2.13 8.25 -0.99 -4.86 115.22 118.16 1kfy n HIS 217 Ca 0.11 0.25 -0.02 0.00 -0.26 0.00 0.00 57.72 57.81 1kfy n HIS 217 Cb 0.52 -2.83 -0.08 0.00 1.12 0.00 0.00 29.99 28.72 1kfy n HIS 217 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kfy h VAL 218 N -2.36 0.68 -5.66 1.59 2.07 -1.84 -3.48 116.25 107.25 1kfy h VAL 218 Ca -0.70 -2.24 -0.30 0.00 0.82 0.00 0.00 66.70 64.29 1kfy h VAL 218 Cb 1.40 2.20 0.17 0.00 -1.52 0.00 0.00 31.29 33.54 1kfy h VAL 218 CO 0.58 0.39 -0.88 -0.67 0.02 0.00 0.00 177.57 177.01 1kfy n ASP 219 N -2.99 -6.32 -0.27 0.57 2.03 -1.26 -4.51 116.55 103.81 1kfy n ASP 219 Ca -0.09 -0.79 0.02 0.00 0.52 0.00 0.00 54.79 54.45 1kfy n ASP 219 Cb 0.87 -4.72 0.15 0.00 -0.72 0.00 0.00 41.12 36.70 1kfy n ASP 219 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1kfy h PRO 220 N -1.29 0.70 -0.89 -0.67 0.13 -1.91 -1.56 132.00 126.51 1kfy h PRO 220 Ca -0.62 -0.04 0.23 0.00 -0.87 0.00 0.00 66.00 64.69 1kfy h PRO 220 Cb 1.32 -0.16 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 1kfy h PRO 220 CO 0.45 0.47 0.01 0.00 -0.23 0.00 0.00 178.00 178.70 1kfy h ALA 221 N 1.43 0.99 -0.05 -0.56 0.00 -1.93 0.52 119.26 119.66 1kfy h ALA 221 Ca 0.37 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1kfy h ALA 221 Cb 0.33 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kfy h ALA 221 CO -0.24 -0.49 -0.09 0.00 0.00 0.00 0.00 179.25 178.43 1kfy h ALA 222 N 1.87 1.75 -0.10 0.00 0.00 -1.63 -1.83 119.26 119.32 1kfy h ALA 222 Ca 0.52 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1kfy h ALA 222 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kfy h ALA 222 CO -0.82 0.19 -0.36 0.00 0.00 0.00 0.00 179.25 178.27 1kfy h ALA 223 N 1.83 0.17 0.10 0.00 0.00 0.02 -2.43 119.26 118.95 1kfy h ALA 223 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1kfy h ALA 223 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kfy h ALA 223 CO 0.01 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.28 1kfy h ILE 224 N -0.03 0.95 -0.79 0.00 2.04 -0.85 0.24 117.51 119.07 1kfy h ILE 224 Ca -0.02 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1kfy h ILE 224 Cb 0.99 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1kfy h ILE 224 CO 0.08 0.04 0.42 1.56 0.00 0.00 0.00 178.15 180.25 1kfy h GLN 225 N -0.22 0.67 -0.26 2.37 1.08 -1.41 0.89 115.11 118.24 1kfy h GLN 225 Ca -0.01 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1kfy h GLN 225 Cb 0.18 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1kfy h GLN 225 CO 0.02 0.44 -0.07 1.96 -0.95 0.00 0.00 178.83 180.24 1kfy h GLN 226 N 0.69 0.41 0.09 1.46 4.20 -1.09 -2.32 115.11 118.54 1kfy h GLN 226 Ca 0.39 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 1kfy h GLN 226 Cb 0.42 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1kfy h GLN 226 CO -0.28 0.49 -0.04 0.78 -0.67 0.00 0.00 178.83 179.11 1kfy h GLY 227 N 0.81 -0.12 -0.38 3.46 0.00 0.40 -2.52 103.07 104.72 1kfy h GLY 227 Ca 0.08 0.05 0.21 0.00 0.00 0.00 0.00 47.33 47.66 1kfy h GLY 227 CO 0.02 -0.04 0.16 0.50 0.00 0.00 0.00 176.54 177.17 1kfy h LYS 228 N -0.35 0.18 -0.70 4.80 1.57 0.46 0.61 116.57 123.15 1kfy h LYS 228 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1kfy h LYS 228 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1kfy h LYS 228 CO 0.02 0.12 0.46 0.28 -0.57 0.00 0.00 179.45 179.76 1kfy h VAL 229 N 0.19 1.18 -0.38 0.50 2.07 -1.19 0.52 116.25 119.14 1kfy h VAL 229 Ca 0.49 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.53 1kfy h VAL 229 Cb 0.94 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1kfy h VAL 229 CO -0.64 0.17 -0.37 -0.08 0.02 0.00 0.00 177.57 176.67 1kfy h GLU 230 N 0.94 0.91 -0.18 1.57 4.57 -0.29 -0.86 114.58 121.24 1kfy h GLU 230 Ca 0.25 -0.48 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1kfy h GLU 230 Cb -0.10 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1kfy h GLU 230 CO -0.05 1.13 0.05 1.03 -1.18 0.00 0.00 179.01 179.99 1kfy h SER 231 N 0.73 0.04 -0.58 1.04 0.87 0.37 0.63 113.55 116.64 1kfy h SER 231 Ca 0.06 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1kfy h SER 231 Cb 0.96 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.91 1kfy h SER 231 CO 0.09 0.05 0.34 0.28 -0.53 0.00 0.00 176.83 177.06 1kfy h SER 232 N 0.13 0.55 -0.94 6.23 0.02 -0.74 0.14 113.55 118.93 1kfy h SER 232 Ca 0.08 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1kfy h SER 232 Cb 0.06 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1kfy h SER 232 CO -0.10 0.38 0.62 0.11 -1.14 0.00 0.00 176.83 176.70 1kfy h LYS 233 N 0.67 1.19 -0.64 3.45 1.57 -0.61 -1.92 116.57 120.28 1kfy h LYS 233 Ca 0.24 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1kfy h LYS 233 Cb 0.05 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1kfy h LYS 233 CO -0.12 0.79 0.40 0.22 -0.57 0.00 0.00 179.45 180.18 1kfy h ASP 234 N 1.23 0.76 -0.55 0.86 -0.00 0.16 -1.56 116.42 117.32 1kfy h ASP 234 Ca 0.36 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.03 57.32 1kfy h ASP 234 Cb -0.06 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 39.05 1kfy h ASP 234 CO -0.10 0.58 0.23 0.15 -0.00 0.00 0.00 179.24 180.10 1kfy h PHE 235 N 0.87 0.86 0.44 0.28 3.57 -0.26 -0.23 116.94 122.46 1kfy h PHE 235 Ca 0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1kfy h PHE 235 Cb -0.05 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1kfy h PHE 235 CO -0.02 0.66 -0.21 1.25 -2.23 0.00 0.00 178.31 177.76 1kfy h LEU 236 N 0.84 -0.50 -0.93 0.59 5.85 -1.12 -2.05 115.31 117.99 1kfy h LEU 236 Ca 0.20 -0.09 0.23 0.00 0.84 0.00 0.00 57.88 59.06 1kfy h LEU 236 Cb 0.17 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.21 1kfy h LEU 236 CO -0.02 -0.08 0.46 0.40 -0.34 0.00 0.00 178.44 178.86 1kfy h ILE 237 N -1.03 0.50 0.00 4.05 2.04 -1.09 0.61 117.51 122.60 1kfy h ILE 237 Ca -0.06 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1kfy h ILE 237 Cb 0.55 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1kfy h ILE 237 CO 0.10 0.09 -0.40 0.00 0.00 0.00 0.00 178.15 177.94 1kfy h ALA 238 N 1.71 1.27 -0.02 1.87 0.00 -0.98 -2.10 119.26 121.02 1kfy h ALA 238 Ca 0.58 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1kfy h ALA 238 Cb 1.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1kfy h ALA 238 CO -0.50 0.50 -0.75 1.15 0.00 0.00 0.00 179.25 179.65 1kfy h THR 239 N 0.00 1.48 -0.32 0.00 2.02 0.93 -3.14 112.91 113.89 1kfy h THR 239 Ca -0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1kfy h THR 239 Cb 0.74 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1kfy h THR 239 CO 0.05 0.70 0.00 0.18 0.37 0.00 0.00 175.52 176.82 1kfy n LEU 240 N -3.72 2.45 -1.94 2.58 4.77 -0.59 -4.50 117.00 116.06 1kfy n LEU 240 Ca -0.02 -1.09 -0.19 0.00 -0.03 0.00 0.00 56.01 54.68 1kfy n LEU 240 Cb 0.72 -0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.79 1kfy n LEU 240 CO 0.45 0.55 1.12 2.29 -1.33 0.00 0.00 177.39 180.47 1kfy n LYS 241 N 0.84 2.13 0.00 3.23 2.85 -0.81 -4.74 118.16 121.65 1kfy n LYS 241 Ca 0.17 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.37 1kfy n LYS 241 Cb 0.43 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1kfy n LYS 241 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1kfy n PRO 242 N -1.14 0.00 0.00 -1.58 -0.04 -1.26 -5.07 135.00 125.90 1kfy n PRO 242 Ca 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1kfy n PRO 242 Cb 1.50 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1kfy n PRO 242 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00