#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s LEU 2 N 0.00 4.24 -0.17 -4.62 2.96 -1.26 -4.93 118.68 114.90 3cfk s LEU 2 Ca 0.00 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 3cfk s LEU 2 Cb 0.00 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.32 3cfk s LEU 2 CO 0.00 -0.38 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.76 3cfk s VAL 3 N 1.85 2.10 -0.18 1.68 1.01 -1.26 -5.01 120.40 120.60 3cfk s VAL 3 Ca 0.44 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3cfk s VAL 3 Cb -0.18 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3cfk s VAL 3 CO 0.17 0.54 0.19 -0.69 0.00 0.00 0.00 175.10 175.30 3cfk s VAL 4 N 1.18 5.38 -0.04 2.92 1.01 -1.26 -2.45 120.40 127.14 3cfk s VAL 4 Ca 0.02 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.36 3cfk s VAL 4 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3cfk s VAL 4 CO -0.10 0.43 -0.18 -0.89 0.00 0.00 0.00 175.10 174.36 3cfk s THR 5 N 0.35 1.46 0.15 3.92 2.01 -0.04 -3.93 115.64 119.56 3cfk s THR 5 Ca 0.11 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.43 3cfk s THR 5 Cb -0.12 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3cfk s THR 5 CO 0.00 0.42 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.11 3cfk s GLN 6 N -0.09 1.12 0.33 4.92 -0.21 -1.26 -1.25 119.66 123.21 3cfk s GLN 6 Ca -0.01 -1.37 -0.29 0.00 0.02 0.00 0.00 55.36 53.71 3cfk s GLN 6 Cb -0.10 -0.93 -0.12 0.00 1.00 0.00 0.00 33.01 32.86 3cfk s GLN 6 CO 0.02 0.16 1.39 0.39 -2.12 0.00 0.00 175.29 175.13 3cfk n GLU 7 N 0.16 2.31 -0.02 2.91 4.71 -1.26 -4.88 120.64 124.58 3cfk n GLU 7 Ca -0.13 0.81 -0.11 0.00 -0.01 0.00 0.00 57.16 57.73 3cfk n GLU 7 Cb 0.58 -2.47 -0.06 0.00 -1.01 0.00 0.00 31.44 28.49 3cfk n GLU 7 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 3cfk h SER 8 N 3.22 0.14 -4.32 1.62 0.02 -1.95 -3.34 113.55 108.94 3cfk h SER 8 Ca -0.47 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.26 3cfk h SER 8 Cb 1.27 -0.04 -0.22 0.00 0.14 0.00 0.00 62.40 63.54 3cfk h SER 8 CO 0.67 0.20 -0.24 0.00 -1.14 0.00 0.00 176.83 176.33 3cfk s ALA 9 N -5.80 -0.95 0.04 3.77 0.00 -1.26 -1.31 121.76 116.25 3cfk s ALA 9 Ca -0.13 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3cfk s ALA 9 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3cfk s ALA 9 CO 0.68 -0.22 -0.07 -0.51 0.00 0.00 0.00 175.76 175.64 3cfk s LEU 11 N -0.40 2.24 -0.03 0.00 1.43 -0.16 -4.95 118.68 116.82 3cfk s LEU 11 Ca -0.05 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3cfk s LEU 11 Cb -0.03 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 3cfk s LEU 11 CO 0.02 -0.20 -0.26 -0.89 0.23 0.00 0.00 176.35 175.25 3cfk s THR 12 N -1.33 2.06 0.03 5.49 2.01 -1.26 -0.33 115.64 122.31 3cfk s THR 12 Ca -0.10 -1.10 -0.10 0.00 0.31 0.00 0.00 61.69 60.70 3cfk s THR 12 Cb -0.10 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.71 3cfk s THR 12 CO 0.00 0.58 0.21 0.28 -0.69 0.00 0.00 174.62 175.00 3cfk s THR 13 N -0.53 0.10 0.38 -0.82 -1.32 -0.46 -4.97 115.64 108.02 3cfk s THR 13 Ca 0.08 -0.84 -0.05 0.00 -1.21 0.00 0.00 61.69 59.67 3cfk s THR 13 Cb -0.11 -0.86 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 3cfk s THR 13 CO -0.00 -0.46 0.67 -0.44 -2.21 0.00 0.00 174.62 172.17 3cfk s SER 14 N -1.99 6.38 0.38 8.08 0.01 -1.26 -0.45 113.70 124.85 3cfk s SER 14 Ca -0.06 0.82 -0.28 0.00 1.31 0.00 0.00 55.95 57.74 3cfk s SER 14 Cb -0.02 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 63.91 3cfk s SER 14 CO -0.03 -0.37 1.46 -2.65 0.41 0.00 0.00 173.24 172.06 3cfk n PRO 15 N -1.55 2.59 0.00 12.44 -0.02 -1.26 -2.09 135.00 145.10 3cfk n PRO 15 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3cfk n PRO 15 Cb 0.55 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3cfk n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 16 N 0.49 2.82 3.87 -1.23 0.00 0.21 -4.90 105.19 106.46 3cfk n GLY 16 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cfk n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfk s GLU 17 N -0.33 3.52 -0.11 1.61 2.02 -0.89 -4.12 118.70 120.40 3cfk s GLU 17 Ca 0.00 0.68 -0.13 0.00 0.02 0.00 0.00 54.97 55.55 3cfk s GLU 17 Cb 0.00 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3cfk s GLU 17 CO 0.00 -0.60 0.30 0.99 0.02 0.00 0.00 175.26 175.97 3cfk s THR 18 N -3.17 5.27 0.00 3.63 2.01 -1.26 -0.97 115.64 121.15 3cfk s THR 18 Ca 0.55 0.57 0.03 0.00 0.31 0.00 0.00 61.69 63.14 3cfk s THR 18 Cb -0.11 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 3cfk s THR 18 CO 0.53 0.49 -0.09 0.54 -0.69 0.00 0.00 174.62 175.40 3cfk s VAL 19 N -0.27 0.67 -0.17 3.82 0.11 -0.76 -4.98 120.40 118.82 3cfk s VAL 19 Ca 0.18 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.75 3cfk s VAL 19 Cb -0.14 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 3cfk s VAL 19 CO 0.07 0.10 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.91 3cfk s THR 20 N -0.38 1.62 -0.08 5.04 2.01 -1.26 -0.71 115.64 121.88 3cfk s THR 20 Ca 0.02 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 3cfk s THR 20 Cb -0.04 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3cfk s THR 20 CO -0.00 0.38 0.34 -0.76 -0.69 0.00 0.00 174.62 173.88 3cfk s LEU 21 N 1.45 4.37 0.38 4.42 1.02 0.90 -4.94 118.68 126.28 3cfk s LEU 21 Ca 0.03 0.73 0.08 0.00 0.02 0.00 0.00 54.13 55.00 3cfk s LEU 21 Cb -0.14 -2.45 -0.06 0.00 0.02 0.00 0.00 46.19 43.56 3cfk s LEU 21 CO -0.10 0.24 0.09 0.42 0.02 0.00 0.00 176.35 177.02 3cfk s THR 22 N -0.43 2.45 -0.22 5.49 -4.23 -1.26 -0.52 115.64 116.92 3cfk s THR 22 Ca 0.20 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 58.84 3cfk s THR 22 Cb -0.15 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.89 3cfk s THR 22 CO 0.09 -0.09 0.35 0.00 -0.54 0.00 0.00 174.62 174.43 3cfk s ARG 24 N 2.52 1.84 0.11 0.00 1.70 -0.38 -1.25 118.95 123.49 3cfk s ARG 24 Ca 0.09 -1.92 0.08 0.00 -0.47 0.00 0.00 55.73 53.51 3cfk s ARG 24 Cb -0.15 -1.73 -0.04 0.00 -0.57 0.00 0.00 34.95 32.47 3cfk s ARG 24 CO -0.14 0.14 -0.20 0.45 -1.08 0.00 0.00 175.30 174.48 3cfk s SER 25 N -3.62 2.48 0.00 -2.89 0.15 -1.26 -0.86 113.70 107.70 3cfk s SER 25 Ca 0.33 -0.71 0.26 0.00 0.70 0.00 0.00 55.95 56.52 3cfk s SER 25 Cb 0.02 -0.13 0.61 0.00 -1.71 0.00 0.00 66.02 64.81 3cfk s SER 25 CO 0.17 0.02 1.48 -1.54 1.20 0.00 0.00 173.24 174.57 3cfk n SER 26 N 0.95 0.77 0.10 5.45 3.41 -1.02 -3.74 113.62 119.53 3cfk n SER 26 Ca -0.18 -0.58 0.13 0.00 -0.26 0.00 0.00 58.87 57.98 3cfk n SER 26 Cb 0.54 0.21 0.36 0.00 -0.26 0.00 0.00 64.21 65.06 3cfk n SER 26 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cfk h SER 27 N 0.59 0.00 -0.34 4.04 0.02 -1.91 -3.48 113.55 112.47 3cfk h SER 27 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3cfk h SER 27 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3cfk h SER 27 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 3cfk n GLY 27 N 1.30 0.73 3.67 -3.77 0.00 -1.25 -5.09 105.19 100.80 3cfk n GLY 27 Ca 0.05 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 3cfk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 27 N -1.00 1.09 -2.39 4.61 0.00 -1.26 -4.32 120.51 117.24 3cfk n ALA 27 Ca 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3cfk n ALA 27 Cb 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 3cfk n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cfk s VAL 27 N -0.43 4.08 0.33 0.00 1.01 0.12 -4.99 120.40 120.52 3cfk s VAL 27 Ca 0.64 1.43 0.08 0.00 0.00 0.00 0.00 61.98 64.13 3cfk s VAL 27 Cb -0.63 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 3cfk s VAL 27 CO 0.54 0.01 -0.07 0.28 0.00 0.00 0.00 175.10 175.86 3cfk s THR 28 N 2.13 2.04 0.44 3.92 -1.32 -1.26 -4.68 115.64 116.91 3cfk s THR 28 Ca 0.58 -2.16 0.28 0.00 -1.21 0.00 0.00 61.69 59.18 3cfk s THR 28 Cb -0.27 -2.63 0.47 0.00 -1.51 0.00 0.00 72.50 68.56 3cfk s THR 28 CO 0.24 -0.20 1.68 0.74 -2.21 0.00 0.00 174.62 174.87 3cfk h THR 29 N 2.07 0.27 0.00 5.08 2.02 -2.00 0.12 112.91 120.46 3cfk h THR 29 Ca -0.42 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3cfk h THR 29 Cb 1.24 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3cfk h THR 29 CO 0.70 0.03 0.00 -1.20 0.37 0.00 0.00 175.52 175.43 3cfk n SER 30 N -4.60 0.62 0.01 4.18 7.64 -1.26 -1.81 113.62 118.40 3cfk n SER 30 Ca 0.33 0.70 0.13 0.00 1.01 0.00 0.00 58.87 61.04 3cfk n SER 30 Cb 1.26 -0.81 0.48 0.00 -1.01 0.00 0.00 64.21 64.13 3cfk n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cfk n ASN 31 N -2.23 0.25 -3.95 6.43 5.03 0.03 -4.82 115.26 115.99 3cfk n ASN 31 Ca 0.01 0.30 -0.36 0.00 0.87 0.00 0.00 54.58 55.40 3cfk n ASN 31 Cb 0.16 -0.30 0.01 0.00 -1.02 0.00 0.00 39.78 38.62 3cfk n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3cfk n TYR 32 N -1.61 -1.59 -1.65 3.10 4.01 -0.75 -0.05 117.16 118.61 3cfk n TYR 32 Ca 0.06 0.39 -0.46 0.00 -0.16 0.00 0.00 57.90 57.73 3cfk n TYR 32 Cb 0.35 -3.19 -0.03 0.00 -0.31 0.00 0.00 39.34 36.16 3cfk n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cfk n ALA 33 N -4.59 0.83 -2.48 -0.72 0.00 -1.26 -4.36 120.51 107.94 3cfk n ALA 33 Ca -0.17 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 3cfk n ALA 33 Cb 0.61 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.68 3cfk n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cfk s THR 34 N 0.23 1.85 -0.04 0.00 2.01 -0.63 -1.32 115.64 117.74 3cfk s THR 34 Ca 0.73 -1.48 0.06 0.00 0.31 0.00 0.00 61.69 61.31 3cfk s THR 34 Cb -0.70 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3cfk s THR 34 CO 0.46 0.08 -0.22 0.26 -0.69 0.00 0.00 174.62 174.51 3cfk s TRP 35 N -1.01 2.15 -0.02 4.92 0.52 -0.57 -0.77 118.94 124.15 3cfk s TRP 35 Ca 0.09 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.70 3cfk s TRP 35 Cb -0.10 -1.41 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 3cfk s TRP 35 CO 0.04 -0.16 -0.25 0.08 0.02 0.00 0.00 176.95 176.68 3cfk s VAL 36 N -0.20 1.97 -0.16 4.03 1.01 0.56 -1.00 120.40 126.62 3cfk s VAL 36 Ca -0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 3cfk s VAL 36 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3cfk s VAL 36 CO 0.02 0.56 0.06 -1.58 0.00 0.00 0.00 175.10 174.16 3cfk s GLN 37 N -0.53 3.72 -0.17 2.72 0.74 0.45 -1.04 119.66 125.55 3cfk s GLN 37 Ca 0.08 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.15 3cfk s GLN 37 Cb -0.10 -3.12 -0.00 0.00 1.10 0.00 0.00 33.01 30.88 3cfk s GLN 37 CO -0.00 0.42 -0.12 -2.00 -0.55 0.00 0.00 175.29 173.03 3cfk s GLU 38 N -0.04 3.28 0.23 1.67 2.12 0.10 -1.18 118.70 124.87 3cfk s GLU 38 Ca 0.06 -0.71 0.10 0.00 0.36 0.00 0.00 54.97 54.78 3cfk s GLU 38 Cb -0.12 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3cfk s GLU 38 CO 0.01 -0.02 -0.08 0.15 -0.54 0.00 0.00 175.26 174.78 3cfk s LYS 39 N 0.94 2.09 0.41 4.30 1.02 -0.24 -1.10 119.74 127.15 3cfk s LYS 39 Ca -0.02 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 3cfk s LYS 39 Cb -0.15 -2.10 -0.13 0.00 -0.52 0.00 0.00 37.83 34.93 3cfk s LYS 39 CO -0.01 0.39 0.40 -2.30 -0.92 0.00 0.00 175.35 172.92 3cfk n PRO 40 N -0.41 0.38 -1.43 -1.68 -0.02 -1.26 -1.10 135.00 129.48 3cfk n PRO 40 Ca -0.08 0.14 -0.04 0.00 -2.02 0.00 0.00 63.50 61.49 3cfk n PRO 40 Cb 0.57 -1.34 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 3cfk n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cfk n ASP 41 N 1.59 -3.07 -3.64 2.55 8.00 -1.26 -4.20 116.55 116.53 3cfk n ASP 41 Ca 0.12 0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.41 3cfk n ASP 41 Cb 0.40 -1.43 0.04 0.00 -0.02 0.00 0.00 41.12 40.11 3cfk n ASP 41 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3cfk n HIS 42 N -3.23 -1.97 -3.75 1.24 8.25 -1.02 -4.95 115.22 109.79 3cfk n HIS 42 Ca -0.05 0.55 -0.37 0.00 -0.26 0.00 0.00 57.72 57.59 3cfk n HIS 42 Cb 0.27 -3.63 -0.12 0.00 1.12 0.00 0.00 29.99 27.63 3cfk n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cfk s LEU 43 N -6.36 3.89 -0.05 2.41 1.43 -0.26 -4.95 118.68 114.78 3cfk s LEU 43 Ca 0.41 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3cfk s LEU 43 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3cfk s LEU 43 CO 0.84 -0.19 0.02 -0.36 0.23 0.00 0.00 176.35 176.89 3cfk s PHE 44 N 1.51 3.17 -0.04 0.29 0.08 -1.26 -1.08 117.98 120.65 3cfk s PHE 44 Ca 0.03 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.24 3cfk s PHE 44 Cb -0.17 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3cfk s PHE 44 CO 0.03 0.49 0.05 0.99 -0.10 0.00 0.00 175.22 176.68 3cfk s THR 45 N -0.99 -0.06 0.01 0.64 2.01 -0.33 -4.97 115.64 111.95 3cfk s THR 45 Ca 0.16 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 3cfk s THR 45 Cb -0.11 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 3cfk s THR 45 CO 0.06 0.17 1.35 -0.83 -0.69 0.00 0.00 174.62 174.68 3cfk s GLY 46 N 1.93 1.96 -0.20 4.40 0.00 -1.26 -0.41 107.32 113.74 3cfk s GLY 46 Ca 0.02 0.87 -0.12 0.00 0.00 0.00 0.00 44.72 45.49 3cfk s GLY 46 CO -0.03 2.40 -0.28 1.04 0.00 0.00 0.00 173.10 176.23 3cfk n LEU 47 N 5.03 1.58 -4.02 0.66 4.77 -0.17 -4.77 117.00 120.09 3cfk n LEU 47 Ca 0.12 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 3cfk n LEU 47 Cb 0.44 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 3cfk n LEU 47 CO 0.58 0.29 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.86 3cfk s ILE 48 N -2.46 0.85 0.24 -0.08 -1.09 -1.16 -1.40 121.20 116.08 3cfk s ILE 48 Ca -0.29 -0.40 0.09 0.00 -2.23 0.00 0.00 60.65 57.82 3cfk s ILE 48 Cb 0.10 -0.75 -0.05 0.00 -1.58 0.00 0.00 42.46 40.19 3cfk s ILE 48 CO 0.38 0.26 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.37 3cfk s GLY 49 N 0.15 1.61 -1.43 6.18 0.00 0.69 -1.52 107.32 113.00 3cfk s GLY 49 Ca -0.03 -1.76 -0.05 0.00 0.00 0.00 0.00 44.72 42.89 3cfk s GLY 49 CO 0.01 -1.83 0.67 0.61 0.00 0.00 0.00 173.10 172.55 3cfk n GLY 50 N -0.48 -0.32 5.00 0.20 0.00 -1.16 -1.04 105.19 107.40 3cfk n GLY 50 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3cfk n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cfk n THR 51 N -4.41 0.00 -1.71 2.61 -1.04 -0.44 -3.96 114.28 105.33 3cfk n THR 51 Ca -0.20 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.82 3cfk n THR 51 Cb 0.63 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 3cfk n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3cfk n ASN 52 N 1.94 0.16 -4.53 8.00 6.94 -1.20 -3.35 115.26 123.22 3cfk n ASN 52 Ca 0.00 -1.85 -0.40 0.00 -0.02 0.00 0.00 54.58 52.31 3cfk n ASN 52 Cb 0.00 -0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 3cfk n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3cfk s LYS 53 N -0.17 3.52 0.13 -3.83 3.01 -0.20 -4.65 119.74 117.55 3cfk s LYS 53 Ca 0.02 -0.61 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 3cfk s LYS 53 Cb 0.01 -3.80 -0.07 0.00 -1.01 0.00 0.00 37.83 32.96 3cfk s LYS 53 CO 0.00 -0.45 1.10 0.50 0.51 0.00 0.00 175.35 177.01 3cfk s ARG 54 N 1.76 4.56 0.47 1.68 3.52 -1.26 -0.22 118.95 129.46 3cfk s ARG 54 Ca 0.07 1.68 -0.21 0.00 -0.13 0.00 0.00 55.73 57.14 3cfk s ARG 54 Cb -0.17 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 29.82 3cfk s ARG 54 CO 0.11 0.00 1.05 0.00 -0.81 0.00 0.00 175.30 175.65 3cfk s ALA 55 N 0.15 2.91 0.23 6.12 0.00 -0.49 -4.91 121.76 125.77 3cfk s ALA 55 Ca 0.51 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.83 3cfk s ALA 55 Cb -0.28 -3.27 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 3cfk s ALA 55 CO 0.33 -0.33 1.02 -2.30 0.00 0.00 0.00 175.76 174.47 3cfk n PRO 56 N -0.79 1.13 0.00 0.00 -0.02 -1.26 -1.70 135.00 132.37 3cfk n PRO 56 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3cfk n PRO 56 Cb 0.52 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3cfk n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 57 N 1.61 2.78 3.72 -1.23 0.00 -1.26 -5.01 105.19 105.80 3cfk n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3cfk n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 58 N -2.23 4.75 0.42 1.61 1.01 -0.69 -4.99 120.40 120.28 3cfk s VAL 58 Ca 0.00 2.06 -0.26 0.00 0.00 0.00 0.00 61.98 63.79 3cfk s VAL 58 Cb 0.00 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 3cfk s VAL 58 CO 0.00 0.21 1.29 -2.65 0.00 0.00 0.00 175.10 173.94 3cfk n PRO 59 N 3.55 1.97 0.06 2.72 -0.02 -1.26 -4.88 135.00 137.13 3cfk n PRO 59 Ca 0.05 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 3cfk n PRO 59 Cb 0.50 -2.40 0.48 0.00 -0.02 0.00 0.00 33.50 32.07 3cfk n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfk h ALA 60 N 2.13 1.79 -1.54 3.55 0.00 -1.99 -2.13 119.26 121.07 3cfk h ALA 60 Ca -0.48 -0.02 0.49 0.00 0.00 0.00 0.00 54.91 54.90 3cfk h ALA 60 Cb 1.29 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 3cfk h ALA 60 CO 0.60 0.19 1.06 -2.13 0.00 0.00 0.00 179.25 178.96 3cfk n ARG 61 N -4.49 -0.02 -3.48 0.00 0.63 -1.26 -4.44 116.66 103.59 3cfk n ARG 61 Ca 0.02 1.10 -0.38 0.00 -0.92 0.00 0.00 57.85 57.67 3cfk n ARG 61 Cb 0.08 -2.33 -0.06 0.00 0.45 0.00 0.00 32.46 30.60 3cfk n ARG 61 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3cfk s PHE 62 N -4.96 3.65 0.08 -0.14 0.08 -0.80 -0.80 117.98 115.09 3cfk s PHE 62 Ca -0.06 0.91 -0.15 0.00 0.12 0.00 0.00 56.93 57.75 3cfk s PHE 62 Cb 0.27 -2.34 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3cfk s PHE 62 CO 0.80 0.50 0.34 -1.54 -0.10 0.00 0.00 175.22 175.22 3cfk s SER 63 N -0.54 -0.16 0.12 1.36 1.04 -0.51 -4.94 113.70 110.07 3cfk s SER 63 Ca 0.23 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.46 3cfk s SER 63 Cb -0.16 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 3cfk s SER 63 CO 0.11 -0.74 -0.22 -0.83 0.98 0.00 0.00 173.24 172.54 3cfk s GLY 64 N -2.49 1.35 0.25 7.32 0.00 -1.26 -0.43 107.32 112.06 3cfk s GLY 64 Ca -0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 3cfk s GLY 64 CO -0.08 -1.35 0.66 -1.14 0.00 0.00 0.00 173.10 171.19 3cfk n SER 65 N 0.91 -1.62 -4.64 1.64 3.41 -0.52 -4.19 113.62 108.61 3cfk n SER 65 Ca -0.18 -2.05 -0.35 0.00 -0.26 0.00 0.00 58.87 56.03 3cfk n SER 65 Cb 0.54 2.68 -0.10 0.00 -0.26 0.00 0.00 64.21 67.07 3cfk n SER 65 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfk s LEU 66 N 0.00 3.53 -0.23 1.04 1.43 -1.26 -0.47 118.68 122.71 3cfk s LEU 66 Ca 0.14 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3cfk s LEU 66 Cb -0.03 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3cfk s LEU 66 CO 0.08 0.32 -0.08 -0.63 0.23 0.00 0.00 176.35 176.26 3cfk s ILE 67 N -0.51 1.72 0.00 -0.59 1.01 -0.41 -4.94 121.20 117.48 3cfk s ILE 67 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.48 3cfk s ILE 67 Cb -0.12 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3cfk s ILE 67 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3cfk n GLY 68 N 4.62 2.77 0.25 6.18 0.00 -1.26 -0.91 105.19 116.83 3cfk n GLY 68 Ca -0.13 0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3cfk n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cfk h ASP 69 N 0.00 0.00 -2.17 1.61 3.32 -1.97 -3.45 116.42 113.76 3cfk h ASP 69 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3cfk h ASP 69 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3cfk h ASP 69 CO 0.00 0.14 -0.60 -0.13 -1.72 0.00 0.00 179.24 176.93 3cfk s ARG 70 N -4.30 2.50 0.32 3.56 0.52 -0.09 0.13 118.95 121.58 3cfk s ARG 70 Ca -0.03 -1.31 -0.14 0.00 -0.52 0.00 0.00 55.73 53.73 3cfk s ARG 70 Cb 0.14 -2.29 -0.09 0.00 0.52 0.00 0.00 34.95 33.23 3cfk s ARG 70 CO 0.61 0.35 0.71 0.00 0.02 0.00 0.00 175.30 177.00 3cfk s ALA 71 N -2.27 3.36 -0.00 2.13 0.00 -0.38 -1.29 121.76 123.30 3cfk s ALA 71 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 3cfk s ALA 71 Cb -0.07 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3cfk s ALA 71 CO 0.22 0.33 0.01 0.00 0.00 0.00 0.00 175.76 176.32 3cfk s ALA 72 N -1.99 -0.03 -0.20 0.00 0.00 0.38 -0.65 121.76 119.26 3cfk s ALA 72 Ca 0.53 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 3cfk s ALA 72 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3cfk s ALA 72 CO 0.19 -0.01 -0.04 -1.17 0.00 0.00 0.00 175.76 174.73 3cfk s LEU 73 N 0.02 2.98 -0.13 0.00 2.96 0.32 -1.44 118.68 123.38 3cfk s LEU 73 Ca -0.00 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3cfk s LEU 73 Cb -0.00 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3cfk s LEU 73 CO -0.00 0.03 0.01 -0.89 -1.32 0.00 0.00 176.35 174.18 3cfk s THR 74 N 1.21 4.36 -0.26 3.68 2.01 0.42 -0.07 115.64 127.00 3cfk s THR 74 Ca 0.03 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 3cfk s THR 74 Cb -0.14 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.49 3cfk s THR 74 CO -0.01 0.54 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.81 3cfk s ILE 75 N -0.20 3.26 -0.61 1.82 1.01 0.12 -1.42 121.20 125.17 3cfk s ILE 75 Ca 0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 3cfk s ILE 75 Cb -0.12 -2.65 0.13 0.00 0.01 0.00 0.00 42.46 39.82 3cfk s ILE 75 CO 0.02 0.18 0.65 -0.89 0.00 0.00 0.00 174.94 174.90 3cfk s THR 76 N 1.39 5.04 0.00 2.92 2.01 0.02 -1.83 115.64 125.18 3cfk s THR 76 Ca 0.01 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.66 3cfk s THR 76 Cb -0.17 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 67.90 3cfk s THR 76 CO -0.02 -1.04 0.00 0.61 -0.69 0.00 0.00 174.62 173.48 3cfk n GLY 77 N 5.15 0.66 3.68 4.40 0.00 -0.98 -4.74 105.19 113.35 3cfk n GLY 77 Ca -0.07 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 3cfk n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk n ALA 78 N -0.45 1.29 -2.61 4.61 0.00 -0.14 -4.45 120.51 118.75 3cfk n ALA 78 Ca 0.00 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.62 3cfk n ALA 78 Cb 0.18 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 3cfk n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cfk s GLN 79 N -0.47 2.64 0.43 0.00 -0.21 -1.26 -0.62 119.66 120.17 3cfk s GLN 79 Ca 0.67 -1.30 0.09 0.00 0.02 0.00 0.00 55.36 54.84 3cfk s GLN 79 Cb -0.63 -2.39 0.93 0.00 1.00 0.00 0.00 33.01 31.92 3cfk s GLN 79 CO 0.50 0.22 2.05 1.79 -2.12 0.00 0.00 175.29 177.73 3cfk h THR 80 N 1.47 1.05 0.00 -0.19 1.35 -1.95 -0.98 112.91 113.67 3cfk h THR 80 Ca -0.45 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3cfk h THR 80 Cb 1.25 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3cfk h THR 80 CO 0.60 0.09 0.00 -1.84 -0.25 0.00 0.00 175.52 174.12 3cfk n GLU 81 N -4.48 0.01 -0.00 4.72 0.00 -1.26 -2.47 120.64 117.16 3cfk n GLU 81 Ca 0.04 0.28 0.15 0.00 0.00 0.00 0.00 57.16 57.63 3cfk n GLU 81 Cb 0.12 -1.50 0.86 0.00 0.00 0.00 0.00 31.44 30.92 3cfk n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cfk n ASP 82 N -1.48 0.16 -4.65 -1.84 8.00 -0.37 -4.81 116.55 111.56 3cfk n ASP 82 Ca 0.03 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 3cfk n ASP 82 Cb 0.14 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3cfk n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cfk s GLU 83 N -2.00 3.97 0.00 -1.24 2.02 -1.03 -4.85 118.70 115.57 3cfk s GLU 83 Ca 0.45 2.35 -0.29 0.00 0.02 0.00 0.00 54.97 57.50 3cfk s GLU 83 Cb 0.21 -4.15 0.11 0.00 0.10 0.00 0.00 34.13 30.40 3cfk s GLU 83 CO 0.35 -1.14 1.26 0.00 0.02 0.00 0.00 175.26 175.75 3cfk s ALA 84 N 5.02 -2.28 -0.17 5.21 0.00 -1.22 -4.88 121.76 123.44 3cfk s ALA 84 Ca 0.85 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3cfk s ALA 84 Cb -0.38 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3cfk s ALA 84 CO 0.37 -1.10 0.07 0.42 0.00 0.00 0.00 175.76 175.52 3cfk s ILE 85 N -2.24 4.87 -0.18 0.00 1.01 -0.26 -1.01 121.20 123.39 3cfk s ILE 85 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 3cfk s ILE 85 Cb 0.02 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3cfk s ILE 85 CO -0.02 0.48 -0.07 -0.31 0.00 0.00 0.00 174.94 175.03 3cfk s TYR 86 N 0.15 2.92 -0.11 3.97 1.51 -0.22 0.03 117.35 125.60 3cfk s TYR 86 Ca 0.05 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.33 3cfk s TYR 86 Cb -0.12 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3cfk s TYR 86 CO 0.00 -0.38 -0.05 -0.06 -1.11 0.00 0.00 175.55 173.95 3cfk s PHE 87 N 0.96 2.99 0.17 2.71 0.08 -0.21 -1.15 117.98 123.53 3cfk s PHE 87 Ca -0.01 -0.12 0.04 0.00 0.12 0.00 0.00 56.93 56.96 3cfk s PHE 87 Cb -0.15 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3cfk s PHE 87 CO 0.00 0.17 0.20 0.00 -0.10 0.00 0.00 175.22 175.49 3cfk s ALA 89 N -1.79 -0.02 -0.11 0.00 0.00 0.05 -0.38 121.76 119.51 3cfk s ALA 89 Ca 0.32 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 3cfk s ALA 89 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3cfk s ALA 89 CO 0.25 -0.10 -0.02 -0.51 0.00 0.00 0.00 175.76 175.38 3cfk s LEU 90 N 0.91 3.40 0.33 0.00 1.43 -0.62 -1.60 118.68 122.53 3cfk s LEU 90 Ca -0.07 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 3cfk s LEU 90 Cb -0.10 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 3cfk s LEU 90 CO -0.03 0.30 0.79 0.26 0.23 0.00 0.00 176.35 177.90 3cfk s TRP 91 N -0.41 3.43 -0.30 0.29 0.52 0.93 -1.65 118.94 121.75 3cfk s TRP 91 Ca 0.07 1.37 -0.02 0.00 0.02 0.00 0.00 56.10 57.53 3cfk s TRP 91 Cb -0.12 -2.64 0.19 0.00 -1.15 0.00 0.00 33.47 29.75 3cfk s TRP 91 CO 0.02 0.10 0.73 1.21 0.02 0.00 0.00 176.95 179.03 3cfk s ASN 92 N -2.11 -1.17 1.85 2.95 3.04 -0.63 -4.41 114.94 114.47 3cfk s ASN 92 Ca 0.54 0.48 0.00 0.00 0.04 0.00 0.00 52.86 53.91 3cfk s ASN 92 Cb -0.12 1.88 0.00 0.00 -1.54 0.00 0.00 41.25 41.48 3cfk s ASN 92 CO 0.17 -0.22 0.00 -0.24 -3.04 0.00 0.00 177.10 173.78 3cfk n SER 93 N 5.40 0.00 0.07 -4.21 2.88 -1.26 -2.63 113.62 113.87 3cfk n SER 93 Ca 0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.51 3cfk n SER 93 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 3cfk n SER 93 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3cfk h ASN 94 N 0.00 0.00 -2.89 -3.46 4.21 -2.02 -3.48 115.58 107.94 3cfk h ASN 94 Ca 0.00 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.01 3cfk h ASN 94 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3cfk h ASN 94 CO 0.00 0.81 -0.21 -1.00 -1.29 0.00 0.00 177.43 175.73 3cfk s HIS 95 N -2.80 3.49 -0.11 1.19 3.76 -1.08 -5.10 115.29 114.66 3cfk s HIS 95 Ca 0.01 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 3cfk s HIS 95 Cb 0.09 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 3cfk s HIS 95 CO 0.80 0.19 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.59 3cfk s LEU 96 N -3.94 2.83 -0.14 0.89 2.96 -1.26 -1.60 118.68 118.43 3cfk s LEU 96 Ca 0.40 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3cfk s LEU 96 Cb -0.10 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.99 3cfk s LEU 96 CO 0.33 0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.78 3cfk s VAL 97 N -0.05 1.44 0.29 1.68 1.01 -0.66 -4.99 120.40 119.13 3cfk s VAL 97 Ca -0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 3cfk s VAL 97 Cb -0.14 -1.37 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 3cfk s VAL 97 CO 0.04 0.44 0.81 -0.36 0.00 0.00 0.00 175.10 176.03 3cfk s PHE 98 N 1.51 3.57 0.98 5.22 0.08 -1.26 -1.59 117.98 126.49 3cfk s PHE 98 Ca 0.04 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 3cfk s PHE 98 Cb -0.13 -2.72 0.20 0.00 -0.57 0.00 0.00 43.02 39.80 3cfk s PHE 98 CO -0.10 0.21 1.26 0.20 -0.10 0.00 0.00 175.22 176.69 3cfk s GLY 99 N -1.81 1.71 0.07 4.36 0.00 0.49 -4.54 107.32 107.59 3cfk s GLY 99 Ca 0.49 -1.04 0.28 0.00 0.00 0.00 0.00 44.72 44.44 3cfk s GLY 99 CO 0.20 -0.30 1.82 0.61 0.00 0.00 0.00 173.10 175.43 3cfk n GLY 100 N -3.11 -1.54 0.00 0.20 0.00 -1.25 -4.79 105.19 94.70 3cfk n GLY 100 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3cfk n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 101 N 1.44 1.24 2.96 -0.02 0.00 -1.26 -5.03 105.19 104.51 3cfk n GLY 101 Ca 0.06 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3cfk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfk s THR 102 N -2.49 1.36 -0.09 2.61 2.01 -0.30 -4.48 115.64 114.27 3cfk s THR 102 Ca 0.00 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 3cfk s THR 102 Cb 0.00 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3cfk s THR 102 CO 0.00 0.32 1.31 -0.54 -0.69 0.00 0.00 174.62 175.02 3cfk s LYS 103 N 1.56 4.27 -0.35 4.92 1.02 -0.43 -1.06 119.74 129.67 3cfk s LYS 103 Ca 0.03 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.68 3cfk s LYS 103 Cb -0.14 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 3cfk s LYS 103 CO -0.09 -0.61 0.22 -1.17 -0.92 0.00 0.00 175.35 172.78 3cfk s LEU 104 N 2.93 4.56 -0.18 3.17 2.96 -0.18 -0.98 118.68 130.95 3cfk s LEU 104 Ca 0.59 -0.65 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 3cfk s LEU 104 Cb -0.26 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 3cfk s LEU 104 CO 0.21 -0.29 0.22 -0.70 -1.32 0.00 0.00 176.35 174.47 3cfk s GLU 105 N 1.65 4.22 -0.17 1.98 2.12 0.55 -3.41 118.70 125.64 3cfk s GLU 105 Ca 0.05 -0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.16 3cfk s GLU 105 Cb -0.18 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 3cfk s GLU 105 CO 0.08 0.25 0.43 0.42 -0.54 0.00 0.00 175.26 175.91 3cfk s ILE 106 N 0.47 5.19 0.43 -3.70 -1.09 -1.26 -1.36 121.20 119.88 3cfk s ILE 106 Ca 0.13 0.81 -0.22 0.00 -2.23 0.00 0.00 60.65 59.14 3cfk s ILE 106 Cb -0.12 -3.77 -0.09 0.00 -1.58 0.00 0.00 42.46 36.90 3cfk s ILE 106 CO 0.02 0.27 1.01 -0.75 -1.23 0.00 0.00 174.94 174.26 3cfk s LYS 107 N 1.09 4.09 0.32 2.79 2.20 0.41 -4.93 119.74 125.72 3cfk s LYS 107 Ca 0.22 1.34 -0.11 0.00 -0.36 0.00 0.00 55.97 57.06 3cfk s LYS 107 Cb -0.15 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 3cfk s LYS 107 CO 0.08 -0.17 0.58 -0.98 -0.36 0.00 0.00 175.35 174.50 3cfk s ARG 108 N -2.89 1.88 0.56 4.03 1.04 -1.26 -4.50 118.95 117.81 3cfk s ARG 108 Ca 0.61 -1.46 -0.20 0.00 -1.04 0.00 0.00 55.73 53.65 3cfk s ARG 108 Cb -0.16 0.52 -0.05 0.00 -2.04 0.00 0.00 34.95 33.21 3cfk s ARG 108 CO 0.21 -0.82 1.18 0.95 -0.04 0.00 0.00 175.30 176.77 3cfk s THR 109 N -3.21 2.88 0.35 4.99 -4.23 -1.26 -4.93 115.64 110.23 3cfk s THR 109 Ca 0.22 0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 61.01 3cfk s THR 109 Cb -0.02 -3.24 -0.11 0.00 1.34 0.00 0.00 72.50 70.47 3cfk s THR 109 CO 0.13 -0.10 1.54 0.68 -0.54 0.00 0.00 174.62 176.33 3cfk s VAL 110 N -1.65 2.01 -0.08 2.29 -7.23 -1.26 -4.80 120.40 109.68 3cfk s VAL 110 Ca 0.74 0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.93 3cfk s VAL 110 Cb -0.28 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.68 3cfk s VAL 110 CO 0.31 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 175.00 3cfk s ALA 111 N -0.67 1.23 0.42 1.32 0.00 0.13 -4.92 121.76 119.26 3cfk s ALA 111 Ca 0.57 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 3cfk s ALA 111 Cb -0.48 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 3cfk s ALA 111 CO 0.58 -0.04 1.07 0.00 0.00 0.00 0.00 175.76 177.37 3cfk s ALA 112 N 0.97 3.05 0.40 0.00 0.00 -1.26 -1.58 121.76 123.35 3cfk s ALA 112 Ca -0.09 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 3cfk s ALA 112 Cb -0.15 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3cfk s ALA 112 CO 0.00 -0.32 1.08 -1.25 0.00 0.00 0.00 175.76 175.27 3cfk s PRO 113 N -2.59 4.11 0.24 0.00 0.04 -1.26 -4.58 135.00 130.96 3cfk s PRO 113 Ca 0.60 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 3cfk s PRO 113 Cb -0.23 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 3cfk s PRO 113 CO 0.29 -0.21 0.93 -1.12 0.04 0.00 0.00 177.00 176.93 3cfk s SER 114 N -1.47 7.63 -0.04 6.66 0.01 -0.93 -4.86 113.70 120.69 3cfk s SER 114 Ca 0.58 1.93 0.06 0.00 1.31 0.00 0.00 55.95 59.83 3cfk s SER 114 Cb -0.24 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.38 3cfk s SER 114 CO 0.30 0.15 -0.22 -0.69 0.41 0.00 0.00 173.24 173.19 3cfk s VAL 115 N -1.20 1.79 0.02 3.43 1.01 -1.26 -0.81 120.40 123.39 3cfk s VAL 115 Ca 0.41 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3cfk s VAL 115 Cb -0.26 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3cfk s VAL 115 CO 0.31 0.50 -0.07 -0.36 0.00 0.00 0.00 175.10 175.49 3cfk s PHE 116 N -0.18 0.59 -0.03 5.22 0.40 -0.63 -4.99 117.98 118.35 3cfk s PHE 116 Ca -0.01 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 3cfk s PHE 116 Cb -0.12 -0.36 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 3cfk s PHE 116 CO 0.02 -0.05 -0.24 -1.50 0.70 0.00 0.00 175.22 174.16 3cfk s ILE 117 N -0.82 1.90 -0.14 0.64 2.07 -1.26 -0.79 121.20 122.79 3cfk s ILE 117 Ca -0.05 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.21 3cfk s ILE 117 Cb -0.06 -1.59 0.01 0.00 0.13 0.00 0.00 42.46 40.95 3cfk s ILE 117 CO 0.00 0.53 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.99 3cfk s PHE 118 N -0.38 2.68 0.65 3.50 0.08 0.10 -5.00 117.98 119.62 3cfk s PHE 118 Ca 0.04 -1.33 -0.13 0.00 0.12 0.00 0.00 56.93 55.64 3cfk s PHE 118 Cb -0.11 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 3cfk s PHE 118 CO 0.01 -0.60 1.06 -1.25 -0.10 0.00 0.00 175.22 174.33 3cfk s PRO 119 N 0.82 3.12 0.61 0.24 0.04 -1.26 -2.15 135.00 136.42 3cfk s PRO 119 Ca -0.07 1.04 -0.19 0.00 0.04 0.00 0.00 61.00 61.82 3cfk s PRO 119 Cb -0.15 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3cfk s PRO 119 CO -0.02 -0.96 1.29 -1.25 0.04 0.00 0.00 177.00 176.10 3cfk s PRO 120 N -4.68 2.81 0.54 0.56 0.04 -1.20 -4.89 135.00 128.19 3cfk s PRO 120 Ca 0.60 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 3cfk s PRO 120 Cb -0.14 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3cfk s PRO 120 CO 0.48 -1.39 1.05 -1.54 0.04 0.00 0.00 177.00 175.64 3cfk s SER 121 N -1.34 6.07 0.52 6.66 1.04 -1.26 -4.93 113.70 120.46 3cfk s SER 121 Ca 0.79 1.86 0.20 0.00 0.48 0.00 0.00 55.95 59.28 3cfk s SER 121 Cb -0.36 -2.54 1.33 0.00 0.10 0.00 0.00 66.02 64.54 3cfk s SER 121 CO 0.40 -0.97 2.07 0.44 0.98 0.00 0.00 173.24 176.16 3cfk h ASP 122 N 0.96 0.01 -0.48 7.02 3.32 -2.00 -2.43 116.42 122.81 3cfk h ASP 122 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 3cfk h ASP 122 Cb 1.22 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3cfk h ASP 122 CO 0.58 0.00 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.74 3cfk h GLU 123 N 0.01 0.87 -0.56 3.56 5.08 -2.00 -2.77 114.58 118.76 3cfk h GLU 123 Ca 0.12 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3cfk h GLU 123 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3cfk h GLU 123 CO -0.00 0.93 -0.02 0.37 -1.00 0.00 0.00 179.01 179.29 3cfk h GLN 124 N 0.72 1.01 -0.76 2.33 4.15 -1.77 -3.02 115.11 117.77 3cfk h GLN 124 Ca 0.13 -0.33 0.05 0.00 0.77 0.00 0.00 58.65 59.27 3cfk h GLN 124 Cb 0.56 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 3cfk h GLN 124 CO 0.03 1.01 0.50 -0.07 -1.93 0.00 0.00 178.83 178.37 3cfk h LEU 125 N 0.89 0.76 -1.77 -2.39 3.38 -1.40 -0.23 115.31 114.56 3cfk h LEU 125 Ca 0.16 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.29 3cfk h LEU 125 Cb 0.57 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3cfk h LEU 125 CO 0.03 0.51 0.49 0.11 0.09 0.00 0.00 178.44 179.68 3cfk h LYS 126 N 0.88 0.21 0.00 1.13 1.57 -1.36 -2.13 116.57 116.88 3cfk h LYS 126 Ca 0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3cfk h LYS 126 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3cfk h LYS 126 CO -0.10 0.14 -0.17 -1.13 -0.57 0.00 0.00 179.45 177.62 3cfk n SER 127 N -4.42 0.28 0.00 0.86 3.41 -0.10 -4.95 113.62 108.70 3cfk n SER 127 Ca 0.14 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3cfk n SER 127 Cb 0.63 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3cfk n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfk n GLY 128 N 1.46 0.53 3.46 5.00 0.00 -0.80 -5.09 105.19 109.76 3cfk n GLY 128 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3cfk n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 129 N -2.00 1.39 -0.06 2.61 -4.23 -1.25 -1.57 115.64 110.53 3cfk s THR 129 Ca 0.00 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3cfk s THR 129 Cb 0.00 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.15 3cfk s THR 129 CO 0.00 -0.08 0.11 0.00 -0.54 0.00 0.00 174.62 174.11 3cfk s ALA 130 N -3.16 0.01 -0.15 3.99 0.00 -0.35 -3.56 121.76 118.54 3cfk s ALA 130 Ca 0.34 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 3cfk s ALA 130 Cb 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3cfk s ALA 130 CO 0.15 -0.49 -0.07 -1.12 0.00 0.00 0.00 175.76 174.23 3cfk s SER 131 N 2.13 4.49 -0.18 0.00 0.01 -1.26 -1.92 113.70 116.97 3cfk s SER 131 Ca 0.03 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 3cfk s SER 131 Cb -0.12 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.36 3cfk s SER 131 CO -0.04 0.16 -0.00 -0.69 0.41 0.00 0.00 173.24 173.07 3cfk s VAL 132 N 0.43 4.07 -0.08 3.43 1.01 0.23 -3.28 120.40 126.21 3cfk s VAL 132 Ca -0.06 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3cfk s VAL 132 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3cfk s VAL 132 CO 0.04 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.80 3cfk s VAL 133 N 0.64 3.39 -0.10 2.92 1.01 -0.91 -0.45 120.40 126.90 3cfk s VAL 133 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3cfk s VAL 133 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3cfk s VAL 133 CO 0.02 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.50 3cfk s LEU 135 N 0.12 2.27 -0.25 0.00 2.96 0.03 -1.09 118.68 122.72 3cfk s LEU 135 Ca -0.10 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3cfk s LEU 135 Cb -0.16 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.12 3cfk s LEU 135 CO 0.06 0.21 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.48 3cfk s LEU 136 N 0.05 3.25 -0.11 -0.68 1.02 0.52 -1.60 118.68 121.14 3cfk s LEU 136 Ca -0.09 -0.95 0.02 0.00 0.02 0.00 0.00 54.13 53.13 3cfk s LEU 136 Cb -0.15 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 3cfk s LEU 136 CO 0.06 -0.14 -0.16 0.21 0.02 0.00 0.00 176.35 176.33 3cfk s ASN 137 N 1.30 3.76 -1.06 2.29 2.47 0.01 0.19 114.94 123.91 3cfk s ASN 137 Ca -0.01 -0.37 -0.09 0.00 0.42 0.00 0.00 52.86 52.81 3cfk s ASN 137 Cb -0.17 -1.42 -0.06 0.00 -1.45 0.00 0.00 41.25 38.15 3cfk s ASN 137 CO -0.04 0.19 0.89 0.59 -3.72 0.00 0.00 177.10 175.01 3cfk n ASN 138 N 3.33 -6.44 -4.45 -4.21 5.03 -0.85 -2.20 115.26 105.49 3cfk n ASN 138 Ca -0.18 -0.75 -0.27 0.00 0.87 0.00 0.00 54.58 54.25 3cfk n ASN 138 Cb 0.53 -4.85 -0.11 0.00 -1.02 0.00 0.00 39.78 34.32 3cfk n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3cfk s PHE 139 N -3.39 2.34 -0.18 3.10 -0.12 0.20 -4.58 117.98 115.35 3cfk s PHE 139 Ca 0.45 -0.34 -0.15 0.00 -0.05 0.00 0.00 56.93 56.84 3cfk s PHE 139 Cb -0.08 -1.14 0.05 0.00 -0.63 0.00 0.00 43.02 41.22 3cfk s PHE 139 CO 0.76 0.53 0.46 -0.47 -0.05 0.00 0.00 175.22 176.46 3cfk s TYR 140 N -1.78 -0.56 0.43 3.49 6.14 -0.62 -0.69 117.35 123.77 3cfk s TYR 140 Ca 0.22 1.30 -0.07 0.00 0.64 0.00 0.00 57.07 59.16 3cfk s TYR 140 Cb -0.08 0.22 0.10 0.00 0.42 0.00 0.00 41.96 42.62 3cfk s TYR 140 CO 0.11 -0.28 0.55 -0.35 0.64 0.00 0.00 175.55 176.22 3cfk n PRO 141 N 3.23 -0.74 0.12 4.97 -0.04 -1.26 0.20 135.00 141.46 3cfk n PRO 141 Ca -0.16 -0.86 -0.02 0.00 -0.04 0.00 0.00 63.50 62.42 3cfk n PRO 141 Cb 0.57 -0.60 0.08 0.00 -0.04 0.00 0.00 33.50 33.50 3cfk n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cfk h ARG 142 N 0.00 0.00 -6.63 0.54 2.43 -1.99 -3.45 114.38 105.28 3cfk h ARG 142 Ca -0.18 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.46 3cfk h ARG 142 Cb 0.51 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.11 3cfk h ARG 142 CO 0.13 0.72 0.92 -1.21 -1.51 0.00 0.00 179.97 179.02 3cfk s GLU 143 N -3.27 4.19 -0.28 0.20 2.02 -1.26 -4.97 118.70 115.34 3cfk s GLU 143 Ca -0.00 2.44 -0.18 0.00 0.02 0.00 0.00 54.97 57.25 3cfk s GLU 143 Cb 0.11 -3.13 0.08 0.00 0.10 0.00 0.00 34.13 31.30 3cfk s GLU 143 CO 0.77 -0.65 0.70 0.00 0.02 0.00 0.00 175.26 176.11 3cfk s ALA 144 N 1.13 -1.86 -0.14 5.21 0.00 -1.26 -4.58 121.76 120.26 3cfk s ALA 144 Ca 0.71 2.33 -0.05 0.00 0.00 0.00 0.00 51.96 54.95 3cfk s ALA 144 Cb -0.46 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3cfk s ALA 144 CO 0.32 -0.37 0.06 0.21 0.00 0.00 0.00 175.76 175.97 3cfk s LYS 145 N 1.33 3.52 -0.11 0.00 2.20 -0.32 -4.98 119.74 121.39 3cfk s LYS 145 Ca -0.08 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 3cfk s LYS 145 Cb -0.05 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 3cfk s LYS 145 CO -0.15 0.53 -0.22 0.08 -0.36 0.00 0.00 175.35 175.23 3cfk s VAL 146 N -0.36 1.96 -0.08 4.02 1.01 -1.26 -1.48 120.40 124.21 3cfk s VAL 146 Ca 0.09 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3cfk s VAL 146 Cb -0.12 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3cfk s VAL 146 CO 0.02 0.54 -0.18 -1.10 0.00 0.00 0.00 175.10 174.38 3cfk s GLN 147 N 0.55 2.35 -0.10 2.72 -0.21 0.41 -4.96 119.66 120.41 3cfk s GLN 147 Ca -0.14 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 54.49 3cfk s GLN 147 Cb -0.17 -1.84 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 3cfk s GLN 147 CO 0.05 0.09 0.26 -1.58 -2.12 0.00 0.00 175.29 171.99 3cfk s TRP 148 N 0.54 3.59 -0.02 0.91 0.52 -1.26 0.31 118.94 123.52 3cfk s TRP 148 Ca -0.16 0.67 0.02 0.00 0.02 0.00 0.00 56.10 56.65 3cfk s TRP 148 Cb -0.17 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 3cfk s TRP 148 CO 0.06 0.55 -0.07 0.15 0.02 0.00 0.00 176.95 177.65 3cfk s LYS 149 N -0.54 0.81 -0.18 4.98 1.02 -0.59 -0.45 119.74 124.78 3cfk s LYS 149 Ca 0.17 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 55.93 3cfk s LYS 149 Cb -0.14 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.41 3cfk s LYS 149 CO 0.06 0.08 -0.18 0.08 -0.92 0.00 0.00 175.35 174.48 3cfk s VAL 150 N 0.23 2.27 -1.65 3.17 1.01 -0.53 -0.77 120.40 124.14 3cfk s VAL 150 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3cfk s VAL 150 Cb -0.08 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.45 3cfk s VAL 150 CO 0.00 0.52 0.51 0.47 0.00 0.00 0.00 175.10 176.61 3cfk n ASP 151 N 4.51 -1.52 0.00 3.32 8.00 0.13 -0.67 116.55 130.32 3cfk n ASP 151 Ca -0.20 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3cfk n ASP 151 Cb 0.50 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 3cfk n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3cfk n ASN 152 N -2.73 -1.59 -4.70 -2.24 3.02 -1.26 -5.01 115.26 100.75 3cfk n ASN 152 Ca -0.08 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.10 3cfk n ASN 152 Cb 0.56 -1.05 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3cfk n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cfk s ALA 153 N -2.50 3.53 0.14 5.41 0.00 0.15 -5.03 121.76 123.46 3cfk s ALA 153 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 3cfk s ALA 153 Cb 0.00 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 3cfk s ALA 153 CO 0.00 -0.11 1.53 -1.17 0.00 0.00 0.00 175.76 176.01 3cfk s LEU 154 N 0.89 4.37 0.29 0.00 2.96 -1.26 -1.45 118.68 124.46 3cfk s LEU 154 Ca 0.22 2.52 -0.11 0.00 -0.22 0.00 0.00 54.13 56.53 3cfk s LEU 154 Cb -0.14 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 3cfk s LEU 154 CO 0.08 -0.79 0.63 -1.10 -1.32 0.00 0.00 176.35 173.85 3cfk s GLN 155 N 1.35 3.83 -0.06 1.98 -1.52 0.40 -4.94 119.66 120.71 3cfk s GLN 155 Ca 0.69 0.38 -0.03 0.00 -1.95 0.00 0.00 55.36 54.45 3cfk s GLN 155 Cb -0.41 -2.55 0.03 0.00 -0.22 0.00 0.00 33.01 29.86 3cfk s GLN 155 CO 0.31 0.21 0.14 0.45 -0.25 0.00 0.00 175.29 176.16 3cfk s SER 156 N -2.53 -0.12 -1.84 5.90 0.15 -1.26 -4.73 113.70 109.27 3cfk s SER 156 Ca 0.49 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3cfk s SER 156 Cb -0.11 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 3cfk s SER 156 CO 0.22 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3cfk n GLY 157 N 4.01 0.31 1.30 9.45 0.00 -1.26 -4.84 105.19 114.17 3cfk n GLY 157 Ca -0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.81 3cfk n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cfk n ASN 158 N -1.74 1.36 -4.08 1.61 6.94 -1.26 -5.07 115.26 113.02 3cfk n ASN 158 Ca -0.22 -2.65 -0.12 0.00 -0.02 0.00 0.00 54.58 51.57 3cfk n ASN 158 Cb 0.67 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.60 3cfk n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cfk s SER 159 N -2.53 0.88 0.15 0.53 1.04 -1.26 -2.15 113.70 110.37 3cfk s SER 159 Ca 0.35 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3cfk s SER 159 Cb 0.38 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 3cfk s SER 159 CO -0.13 -0.27 -0.05 -1.10 0.98 0.00 0.00 173.24 172.67 3cfk s GLN 160 N -2.09 1.06 0.02 4.02 -0.21 -0.57 -4.97 119.66 116.92 3cfk s GLN 160 Ca -0.05 -1.48 -0.07 0.00 0.02 0.00 0.00 55.36 53.78 3cfk s GLN 160 Cb -0.06 -0.43 -0.00 0.00 1.00 0.00 0.00 33.01 33.51 3cfk s GLN 160 CO -0.01 -0.02 0.13 -2.00 -2.12 0.00 0.00 175.29 171.27 3cfk s GLU 161 N -3.83 0.56 -0.25 2.91 2.12 -1.26 -0.84 118.70 118.11 3cfk s GLU 161 Ca 0.19 -0.56 -0.21 0.00 0.36 0.00 0.00 54.97 54.75 3cfk s GLU 161 Cb 0.04 0.23 0.07 0.00 0.26 0.00 0.00 34.13 34.73 3cfk s GLU 161 CO 0.01 -0.14 0.66 0.45 -0.54 0.00 0.00 175.26 175.70 3cfk s SER 162 N -1.76 -0.75 0.01 -1.70 0.15 -0.53 -5.01 113.70 104.12 3cfk s SER 162 Ca -0.10 1.37 0.05 0.00 0.70 0.00 0.00 55.95 57.96 3cfk s SER 162 Cb -0.04 1.34 -0.02 0.00 -1.71 0.00 0.00 66.02 65.59 3cfk s SER 162 CO -0.01 -0.23 -0.15 0.54 1.20 0.00 0.00 173.24 174.59 3cfk s VAL 163 N 0.70 1.16 0.80 4.45 0.11 -1.26 -0.97 120.40 125.38 3cfk s VAL 163 Ca -0.03 -0.77 -0.12 0.00 -2.93 0.00 0.00 61.98 58.14 3cfk s VAL 163 Cb -0.05 -0.99 0.07 0.00 -1.53 0.00 0.00 36.38 33.88 3cfk s VAL 163 CO -0.05 0.22 1.13 0.42 -3.33 0.00 0.00 175.10 173.49 3cfk s THR 164 N -0.52 2.59 0.73 5.04 -4.23 -0.41 -5.00 115.64 113.84 3cfk s THR 164 Ca 0.04 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 3cfk s THR 164 Cb -0.06 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.72 3cfk s THR 164 CO 0.00 -0.25 1.07 -1.61 -0.54 0.00 0.00 174.62 173.29 3cfk s GLU 165 N -5.38 2.68 0.23 3.99 2.02 -1.26 -4.65 118.70 116.33 3cfk s GLU 165 Ca 0.61 0.77 -0.31 0.00 0.02 0.00 0.00 54.97 56.06 3cfk s GLU 165 Cb -0.12 -1.97 -0.12 0.00 0.10 0.00 0.00 34.13 32.01 3cfk s GLU 165 CO 0.52 -1.24 1.67 -1.14 0.02 0.00 0.00 175.26 175.09 3cfk s GLN 166 N -5.13 4.13 0.21 1.61 0.74 -1.26 -4.78 119.66 115.18 3cfk s GLN 166 Ca 0.59 2.58 -0.30 0.00 0.05 0.00 0.00 55.36 58.28 3cfk s GLN 166 Cb -0.14 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 3cfk s GLN 166 CO 0.54 -0.70 1.35 0.34 -0.55 0.00 0.00 175.29 176.26 3cfk s ASP 167 N 0.97 6.83 0.00 6.67 -1.08 -0.17 -4.89 116.67 125.01 3cfk s ASP 167 Ca 0.71 2.47 0.20 0.00 -0.52 0.00 0.00 52.55 55.41 3cfk s ASP 167 Cb -0.49 -2.61 0.93 0.00 -1.46 0.00 0.00 42.92 39.29 3cfk s ASP 167 CO 0.37 -0.58 1.64 -1.54 0.52 0.00 0.00 175.17 175.59 3cfk n SER 168 N 2.58 0.00 -0.05 -0.34 3.41 -1.26 -1.54 113.62 116.42 3cfk n SER 168 Ca 0.06 0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 3cfk n SER 168 Cb 0.42 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3cfk n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cfk n LYS 169 N -1.41 0.32 0.00 4.33 5.02 -1.26 -3.98 118.16 121.17 3cfk n LYS 169 Ca 0.07 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3cfk n LYS 169 Cb 0.21 -1.05 0.22 0.00 -0.02 0.00 0.00 35.03 34.39 3cfk n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cfk n ASP 170 N -3.97 2.02 -1.46 4.39 5.68 -1.26 -4.97 116.55 116.97 3cfk n ASP 170 Ca -0.15 -1.54 -0.17 0.00 -0.50 0.00 0.00 54.79 52.43 3cfk n ASP 170 Cb 0.42 0.15 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 3cfk n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfk n SER 171 N 0.33 -5.00 -4.97 -1.12 7.64 -0.59 -4.99 113.62 104.92 3cfk n SER 171 Ca 0.14 0.29 -0.19 0.00 1.01 0.00 0.00 58.87 60.12 3cfk n SER 171 Cb 0.46 -4.01 -0.01 0.00 -1.01 0.00 0.00 64.21 59.64 3cfk n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfk s THR 172 N -2.68 3.90 0.22 0.44 -4.23 -1.26 -4.64 115.64 107.39 3cfk s THR 172 Ca 0.00 -1.06 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 3cfk s THR 172 Cb 0.00 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 3cfk s THR 172 CO 0.00 -0.15 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.61 3cfk s TYR 173 N -2.21 2.74 0.09 3.99 2.02 0.13 -1.00 117.35 123.11 3cfk s TYR 173 Ca 0.45 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.00 3cfk s TYR 173 Cb -0.09 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 3cfk s TYR 173 CO 0.30 0.57 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.60 3cfk s SER 174 N -3.31 1.64 0.00 2.29 0.01 -1.26 -0.63 113.70 112.44 3cfk s SER 174 Ca 0.29 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3cfk s SER 174 Cb -0.08 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 3cfk s SER 174 CO 0.19 -0.15 -0.03 -0.22 0.41 0.00 0.00 173.24 173.44 3cfk s LEU 175 N -2.06 2.04 -0.05 2.44 0.20 0.13 -1.29 118.68 120.09 3cfk s LEU 175 Ca 0.02 -0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.77 3cfk s LEU 175 Cb -0.07 -0.11 0.00 0.00 -0.43 0.00 0.00 46.19 45.58 3cfk s LEU 175 CO 0.02 -0.01 -0.16 -0.55 -0.29 0.00 0.00 176.35 175.35 3cfk s SER 176 N -0.26 2.11 -0.02 3.68 0.15 -0.15 -0.35 113.70 118.86 3cfk s SER 176 Ca -0.01 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.32 3cfk s SER 176 Cb -0.02 -0.69 -0.00 0.00 -1.71 0.00 0.00 66.02 63.60 3cfk s SER 176 CO -0.00 0.13 -0.11 -0.55 1.20 0.00 0.00 173.24 173.90 3cfk s SER 177 N 0.18 1.43 -0.11 5.45 0.15 -0.25 -1.45 113.70 119.09 3cfk s SER 177 Ca -0.07 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.39 3cfk s SER 177 Cb -0.13 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 3cfk s SER 177 CO 0.03 0.10 -0.23 -0.89 1.20 0.00 0.00 173.24 173.45 3cfk s THR 178 N 0.03 2.01 -0.23 6.45 2.01 -0.02 0.13 115.64 126.03 3cfk s THR 178 Ca -0.01 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3cfk s THR 178 Cb -0.08 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3cfk s THR 178 CO 0.00 0.55 0.11 -0.22 -0.69 0.00 0.00 174.62 174.37 3cfk s LEU 179 N 0.49 3.86 -0.17 4.42 2.96 0.40 -1.52 118.68 129.12 3cfk s LEU 179 Ca -0.16 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3cfk s LEU 179 Cb -0.17 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3cfk s LEU 179 CO 0.06 0.07 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.18 3cfk s THR 180 N 1.01 3.21 0.15 3.68 2.01 -0.91 -0.60 115.64 124.19 3cfk s THR 180 Ca 0.06 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3cfk s THR 180 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3cfk s THR 180 CO 0.04 0.48 0.03 -1.48 -0.69 0.00 0.00 174.62 173.00 3cfk s LEU 181 N 0.87 1.93 0.71 4.42 2.34 -0.81 -4.88 118.68 123.27 3cfk s LEU 181 Ca -0.02 -1.20 -0.13 0.00 0.06 0.00 0.00 54.13 52.84 3cfk s LEU 181 Cb -0.15 0.13 0.02 0.00 -0.56 0.00 0.00 46.19 45.63 3cfk s LEU 181 CO 0.01 -0.66 1.09 -0.94 -1.06 0.00 0.00 176.35 174.79 3cfk s SER 182 N -3.11 4.90 0.17 1.48 1.04 -1.26 -1.21 113.70 115.71 3cfk s SER 182 Ca 0.24 1.87 -0.15 0.00 0.48 0.00 0.00 55.95 58.40 3cfk s SER 182 Cb 0.07 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.76 3cfk s SER 182 CO 0.03 -1.77 1.75 0.50 0.98 0.00 0.00 173.24 174.73 3cfk h LYS 183 N -0.54 0.30 -0.54 4.02 3.64 -1.54 0.12 116.57 122.04 3cfk h LYS 183 Ca -0.45 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3cfk h LYS 183 Cb 1.23 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 3cfk h LYS 183 CO 0.53 0.20 0.25 0.00 -2.27 0.00 0.00 179.45 178.16 3cfk h ALA 184 N 1.27 0.69 -0.29 5.00 0.00 -1.93 -1.22 119.26 122.78 3cfk h ALA 184 Ca 0.19 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3cfk h ALA 184 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cfk h ALA 184 CO -0.20 -0.12 -0.33 -0.44 0.00 0.00 0.00 179.25 178.17 3cfk h ASP 185 N 0.48 0.64 -0.12 0.00 5.19 -1.81 -2.83 116.42 117.97 3cfk h ASP 185 Ca 0.25 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3cfk h ASP 185 Cb 0.20 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3cfk h ASP 185 CO -0.20 0.92 0.03 0.22 -3.12 0.00 0.00 179.24 177.10 3cfk h TYR 186 N 0.52 0.26 0.00 4.55 3.20 -0.11 -2.46 116.97 122.94 3cfk h TYR 186 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3cfk h TYR 186 Cb 0.82 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3cfk h TYR 186 CO 0.03 0.25 0.00 0.39 -1.64 0.00 0.00 178.16 177.19 3cfk n GLU 187 N -4.41 0.02 0.00 1.82 -0.58 -0.52 -3.44 120.64 113.52 3cfk n GLU 187 Ca -0.00 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 3cfk n GLU 187 Cb 0.15 -1.52 0.29 0.00 -0.57 0.00 0.00 31.44 29.79 3cfk n GLU 187 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3cfk n LYS 188 N -1.55 0.06 -4.30 3.49 5.02 -0.93 -4.92 118.16 115.03 3cfk n LYS 188 Ca 0.07 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 3cfk n LYS 188 Cb 0.33 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 3cfk n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cfk s HIS 189 N -2.96 1.41 -0.20 2.13 3.76 -1.22 -5.08 115.29 113.12 3cfk s HIS 189 Ca 0.12 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.46 3cfk s HIS 189 Cb 0.18 -0.81 -0.11 0.00 1.11 0.00 0.00 32.58 32.95 3cfk s HIS 189 CO 0.67 0.09 -0.11 1.17 -0.85 0.00 0.00 174.74 175.70 3cfk n LYS 190 N 1.49 0.54 -3.67 1.40 4.81 -1.26 -4.72 118.16 116.75 3cfk n LYS 190 Ca -0.19 0.43 -0.37 0.00 -0.87 0.00 0.00 58.31 57.31 3cfk n LYS 190 Cb 0.54 -1.62 -0.11 0.00 0.02 0.00 0.00 35.03 33.86 3cfk n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3cfk s VAL 191 N -2.46 5.07 -0.20 3.15 1.01 -1.26 -0.73 120.40 124.98 3cfk s VAL 191 Ca -0.28 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3cfk s VAL 191 Cb 0.07 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3cfk s VAL 191 CO 0.45 0.30 -0.12 -0.31 0.00 0.00 0.00 175.10 175.42 3cfk s TYR 192 N 1.49 2.87 0.07 5.22 1.51 -0.72 -0.69 117.35 127.09 3cfk s TYR 192 Ca 0.07 -1.31 0.07 0.00 -1.01 0.00 0.00 57.07 54.89 3cfk s TYR 192 Cb -0.15 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3cfk s TYR 192 CO 0.07 -0.68 -0.20 0.00 -1.11 0.00 0.00 175.55 173.63 3cfk s ALA 193 N 1.38 1.71 -0.20 3.71 0.00 0.05 -1.63 121.76 126.79 3cfk s ALA 193 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3cfk s ALA 193 Cb -0.14 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3cfk s ALA 193 CO -0.08 0.36 -0.16 0.00 0.00 0.00 0.00 175.76 175.88 3cfk s GLU 195 N 1.31 3.30 -0.14 0.00 2.12 0.15 -1.11 118.70 124.32 3cfk s GLU 195 Ca 0.04 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3cfk s GLU 195 Cb -0.14 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.64 3cfk s GLU 195 CO -0.10 0.10 -0.15 0.08 -0.54 0.00 0.00 175.26 174.65 3cfk s VAL 196 N 0.62 1.59 -0.09 3.70 1.01 0.56 -0.45 120.40 127.34 3cfk s VAL 196 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3cfk s VAL 196 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3cfk s VAL 196 CO 0.03 0.46 -0.02 0.42 0.00 0.00 0.00 175.10 175.99 3cfk s THR 197 N 1.33 4.10 -0.02 3.92 -4.23 -0.55 -1.94 115.64 118.25 3cfk s THR 197 Ca 0.02 -0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 3cfk s THR 197 Cb -0.13 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.04 3cfk s THR 197 CO -0.08 0.59 0.56 -2.28 -0.54 0.00 0.00 174.62 172.87 3cfk s HIS 198 N -0.72 -0.50 0.46 3.99 2.46 -1.26 -1.17 115.29 118.55 3cfk s HIS 198 Ca 0.11 0.78 0.17 0.00 0.47 0.00 0.00 55.06 56.59 3cfk s HIS 198 Cb -0.11 0.32 1.13 0.00 -0.13 0.00 0.00 32.58 33.79 3cfk s HIS 198 CO 0.02 -0.57 1.99 0.37 -2.47 0.00 0.00 174.74 174.08 3cfk h GLN 199 N 3.14 0.28 0.00 2.88 4.15 -1.93 -0.58 115.11 123.05 3cfk h GLN 199 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3cfk h GLN 199 Cb 1.17 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3cfk h GLN 199 CO 0.40 0.19 0.00 0.41 -1.93 0.00 0.00 178.83 177.89 3cfk n GLY 200 N -1.55 -1.37 3.69 2.39 0.00 -1.26 -4.67 105.19 102.42 3cfk n GLY 200 Ca 0.09 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3cfk n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 201 N -3.48 3.98 0.01 0.99 1.43 -0.23 -4.58 118.68 116.80 3cfk s LEU 201 Ca 0.10 0.16 0.28 0.00 -1.03 0.00 0.00 54.13 53.65 3cfk s LEU 201 Cb 0.14 -2.01 1.20 0.00 0.03 0.00 0.00 46.19 45.55 3cfk s LEU 201 CO 0.45 0.20 1.90 -1.54 0.23 0.00 0.00 176.35 177.60 3cfk n SER 202 N 3.36 0.03 -3.50 2.29 3.41 -1.26 -4.66 113.62 113.28 3cfk n SER 202 Ca -0.17 0.50 -0.14 0.00 -0.26 0.00 0.00 58.87 58.80 3cfk n SER 202 Cb 0.52 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 3cfk n SER 202 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfk s SER 203 N -3.06 -0.56 0.54 4.04 1.04 -1.26 -5.15 113.70 109.29 3cfk s SER 203 Ca 0.14 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 56.76 3cfk s SER 203 Cb 0.18 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.75 3cfk s SER 203 CO 0.52 -0.66 1.34 -2.84 0.98 0.00 0.00 173.24 172.59 3cfk s PRO 204 N -2.02 3.18 -0.15 4.02 0.02 -1.26 -4.97 135.00 133.83 3cfk s PRO 204 Ca -0.05 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.07 3cfk s PRO 204 Cb -0.00 -2.27 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 3cfk s PRO 204 CO 0.01 -1.14 0.19 0.08 -0.33 0.00 0.00 177.00 175.80 3cfk s VAL 205 N -1.32 5.39 -0.09 3.83 1.01 -0.82 -4.91 120.40 123.50 3cfk s VAL 205 Ca 0.71 0.32 0.03 0.00 0.00 0.00 0.00 61.98 63.04 3cfk s VAL 205 Cb -0.40 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3cfk s VAL 205 CO 0.47 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 175.01 3cfk s THR 206 N -0.25 2.74 -0.02 3.92 2.01 -1.26 -0.33 115.64 122.45 3cfk s THR 206 Ca 0.14 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.41 3cfk s THR 206 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3cfk s THR 206 CO 0.03 0.56 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.73 3cfk s LYS 207 N -0.10 2.13 0.19 4.92 -0.14 -0.27 -4.98 119.74 121.50 3cfk s LYS 207 Ca -0.03 -0.92 -0.11 0.00 -1.36 0.00 0.00 55.97 53.55 3cfk s LYS 207 Cb -0.14 -2.07 -0.00 0.00 -1.68 0.00 0.00 37.83 33.94 3cfk s LYS 207 CO 0.04 0.56 0.37 -1.54 -0.76 0.00 0.00 175.35 174.02 3cfk s SER 208 N -0.67 -0.04 0.07 2.83 1.04 -1.26 -0.24 113.70 115.43 3cfk s SER 208 Ca 0.10 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 3cfk s SER 208 Cb -0.10 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3cfk s SER 208 CO -0.01 -0.98 0.06 0.72 0.98 0.00 0.00 173.24 174.01 3cfk s PHE 209 N -3.97 0.40 -0.26 5.02 -0.12 -0.64 -5.00 117.98 113.40 3cfk s PHE 209 Ca 0.18 -0.89 -0.09 0.00 -0.05 0.00 0.00 56.93 56.07 3cfk s PHE 209 Cb 0.02 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 3cfk s PHE 209 CO 0.02 -0.45 0.13 -0.80 -0.05 0.00 0.00 175.22 174.07 3cfk s ASN 210 N -2.90 5.62 0.08 1.98 0.01 -1.26 -1.76 114.94 116.71 3cfk s ASN 210 Ca 0.07 -0.08 -0.37 0.00 -0.71 0.00 0.00 52.86 51.78 3cfk s ASN 210 Cb 0.07 -2.02 -0.17 0.00 0.41 0.00 0.00 41.25 39.53 3cfk s ASN 210 CO -0.10 -0.02 1.30 -1.14 -1.51 0.00 0.00 177.10 175.63 3cfk n ARG 211 N 4.84 1.02 -3.00 -0.60 0.63 0.09 -1.85 116.66 117.79 3cfk n ARG 211 Ca -0.15 0.37 -0.16 0.00 -0.92 0.00 0.00 57.85 56.99 3cfk n ARG 211 Cb 0.52 -1.99 0.04 0.00 0.45 0.00 0.00 32.46 31.48 3cfk n ARG 211 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cfk n GLY 212 N 2.38 -0.12 0.00 5.14 0.00 -1.26 -4.98 105.19 106.35 3cfk n GLY 212 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3cfk n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50