#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfe s VAL 2 N 0.00 3.60 0.00 3.84 1.01 -1.26 -4.19 120.40 123.40 3cfe s VAL 2 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3cfe s VAL 2 Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3cfe s VAL 2 CO 0.00 0.17 -0.01 -1.10 0.00 0.00 0.00 175.10 174.17 3cfe s GLN 3 N 0.14 0.06 -0.04 2.72 -0.21 0.80 -4.99 119.66 118.14 3cfe s GLN 3 Ca 0.55 -0.10 0.06 0.00 0.02 0.00 0.00 55.36 55.89 3cfe s GLN 3 Cb -0.33 -0.00 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 3cfe s GLN 3 CO 0.35 -0.00 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.79 3cfe s LEU 4 N -0.22 2.01 -0.04 2.90 1.02 -1.26 0.15 118.68 123.24 3cfe s LEU 4 Ca -0.02 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 3cfe s LEU 4 Cb -0.02 -1.15 0.03 0.00 0.02 0.00 0.00 46.19 45.07 3cfe s LEU 4 CO -0.00 0.22 0.08 0.00 0.02 0.00 0.00 176.35 176.66 3cfe s GLN 5 N -0.20 0.03 0.22 1.70 -2.07 -0.73 -4.21 119.66 114.40 3cfe s GLN 5 Ca 0.00 0.22 0.02 0.00 -1.82 0.00 0.00 55.36 53.78 3cfe s GLN 5 Cb -0.11 -0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 31.61 3cfe s GLN 5 CO 0.02 -0.13 0.38 -1.83 -1.32 0.00 0.00 175.29 172.41 3cfe s GLU 6 N 0.86 3.48 0.14 9.60 1.03 -1.26 -1.14 118.70 131.41 3cfe s GLU 6 Ca -0.07 -0.51 -0.24 0.00 0.03 0.00 0.00 54.97 54.19 3cfe s GLU 6 Cb -0.09 -2.85 0.07 0.00 -0.80 0.00 0.00 34.13 30.45 3cfe s GLU 6 CO -0.03 0.40 0.69 -1.54 -1.33 0.00 0.00 175.26 173.45 3cfe s SER 7 N -3.52 -0.46 0.00 0.83 1.04 0.52 -4.88 113.70 107.22 3cfe s SER 7 Ca 0.37 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3cfe s SER 7 Cb -0.10 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3cfe s SER 7 CO 0.30 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3cfe n GLY 8 N -0.37 -0.92 3.74 7.32 0.00 -1.26 -0.24 105.19 113.46 3cfe n GLY 8 Ca -0.13 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3cfe n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cfe s PRO 9 N -1.51 4.43 0.02 1.61 0.02 -1.26 -4.93 135.00 133.38 3cfe s PRO 9 Ca 0.00 1.99 0.28 0.00 0.02 0.00 0.00 61.00 63.29 3cfe s PRO 9 Cb 0.00 -3.21 1.05 0.00 0.02 0.00 0.00 34.50 32.36 3cfe s PRO 9 CO 0.00 -0.19 1.81 0.41 -0.33 0.00 0.00 177.00 178.70 3cfe n GLY 10 N 2.28 -1.48 2.92 0.52 0.00 -1.26 -4.79 105.19 103.38 3cfe n GLY 10 Ca 0.05 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3cfe n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfe s LEU 11 N -3.19 1.53 -0.11 0.99 2.96 -1.26 -0.11 118.68 119.49 3cfe s LEU 11 Ca 0.13 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3cfe s LEU 11 Cb 0.18 -0.40 0.04 0.00 0.50 0.00 0.00 46.19 46.50 3cfe s LEU 11 CO 0.57 -0.02 0.27 -0.69 -1.32 0.00 0.00 176.35 175.17 3cfe s VAL 12 N 0.60 -0.02 0.14 1.68 1.01 -0.20 -4.95 120.40 118.66 3cfe s VAL 12 Ca -0.08 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 3cfe s VAL 12 Cb -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 3cfe s VAL 12 CO 0.00 0.02 0.81 -0.54 0.00 0.00 0.00 175.10 175.39 3cfe s LYS 13 N 0.64 4.59 0.34 2.72 1.02 -1.26 -2.44 119.74 125.35 3cfe s LYS 13 Ca -0.04 1.19 -0.26 0.00 0.02 0.00 0.00 55.97 56.89 3cfe s LYS 13 Cb -0.05 -3.30 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 3cfe s LYS 13 CO -0.04 0.46 0.83 -2.30 -0.92 0.00 0.00 175.35 173.38 3cfe n PRO 14 N 2.00 0.98 0.00 -1.68 -0.02 -1.26 -1.60 135.00 133.43 3cfe n PRO 14 Ca -0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3cfe n PRO 14 Cb 0.49 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3cfe n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cfe n SER 15 N 1.18 0.00 -4.75 2.55 2.88 0.35 -4.92 113.62 110.91 3cfe n SER 15 Ca 0.11 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.39 3cfe n SER 15 Cb 0.35 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3cfe n SER 15 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3cfe s GLN 16 N -0.32 1.83 0.23 -1.46 -0.21 -0.63 -4.15 119.66 114.95 3cfe s GLN 16 Ca 0.00 -0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.01 3cfe s GLN 16 Cb 0.00 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 3cfe s GLN 16 CO 0.00 -1.50 0.38 -1.54 -2.12 0.00 0.00 175.29 170.51 3cfe s SER 17 N -4.62 6.33 -0.15 5.90 1.04 -1.26 -1.69 113.70 119.25 3cfe s SER 17 Ca 0.64 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3cfe s SER 17 Cb -0.09 -1.93 -0.00 0.00 0.10 0.00 0.00 66.02 64.11 3cfe s SER 17 CO 0.46 -0.08 -0.16 -0.22 0.98 0.00 0.00 173.24 174.23 3cfe s LEU 18 N -3.77 2.47 -0.12 2.42 0.20 -0.13 -4.96 118.68 114.80 3cfe s LEU 18 Ca 0.36 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.74 3cfe s LEU 18 Cb -0.10 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 3cfe s LEU 18 CO 0.30 0.09 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.80 3cfe s SER 19 N 0.79 3.27 0.18 3.68 0.01 -1.26 -1.35 113.70 119.02 3cfe s SER 19 Ca -0.06 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 56.73 3cfe s SER 19 Cb -0.15 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 3cfe s SER 19 CO 0.00 0.13 -0.13 -0.76 0.41 0.00 0.00 173.24 172.90 3cfe s LEU 20 N 0.51 2.54 -0.05 2.44 1.43 -0.71 -4.22 118.68 120.62 3cfe s LEU 20 Ca -0.14 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 3cfe s LEU 20 Cb -0.17 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 3cfe s LEU 20 CO 0.05 -0.24 -0.17 -0.89 0.23 0.00 0.00 176.35 175.33 3cfe s THR 21 N -3.09 1.46 -0.13 5.49 2.01 0.67 -2.10 115.64 119.94 3cfe s THR 21 Ca 0.20 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3cfe s THR 21 Cb 0.01 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3cfe s THR 21 CO 0.04 0.42 0.05 0.00 -0.69 0.00 0.00 174.62 174.44 3cfe s THR 23 N -0.36 2.70 0.14 0.00 2.01 -0.29 -1.96 115.64 117.87 3cfe s THR 23 Ca 0.09 -1.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 3cfe s THR 23 Cb -0.12 -2.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.93 3cfe s THR 23 CO 0.02 0.17 0.50 -0.69 -0.69 0.00 0.00 174.62 173.93 3cfe s VAL 24 N 1.28 4.94 -0.01 3.82 1.01 -1.13 -1.77 120.40 128.55 3cfe s VAL 24 Ca -0.01 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 3cfe s VAL 24 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3cfe s VAL 24 CO -0.05 0.21 0.15 0.42 0.00 0.00 0.00 175.10 175.83 3cfe s THR 25 N -1.50 0.07 0.00 3.92 -4.23 0.12 -4.85 115.64 109.18 3cfe s THR 25 Ca 0.38 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 3cfe s THR 25 Cb -0.14 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.28 3cfe s THR 25 CO 0.19 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3cfe n GLY 26 N 1.63 0.74 3.64 3.99 0.00 -1.26 -0.14 105.19 113.79 3cfe n GLY 26 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 3cfe n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cfe s TYR 27 N -2.82 -0.53 0.22 1.61 5.04 -1.26 -4.58 117.35 115.03 3cfe s TYR 27 Ca 0.00 1.06 -0.30 0.00 -2.44 0.00 0.00 57.07 55.39 3cfe s TYR 27 Cb 0.00 0.32 -0.09 0.00 0.35 0.00 0.00 41.96 42.54 3cfe s TYR 27 CO 0.00 -0.26 0.99 0.45 -1.34 0.00 0.00 175.55 175.39 3cfe s SER 28 N 1.36 7.51 0.00 4.32 0.15 -1.26 -4.90 113.70 120.88 3cfe s SER 28 Ca -0.09 2.01 0.29 0.00 0.70 0.00 0.00 55.95 58.86 3cfe s SER 28 Cb -0.04 -2.61 1.70 0.00 -1.71 0.00 0.00 66.02 63.36 3cfe s SER 28 CO -0.15 0.03 2.06 2.30 1.20 0.00 0.00 173.24 178.69 3cfe n ILE 29 N 1.69 0.01 0.31 6.45 -5.35 -1.26 -2.75 119.36 118.46 3cfe n ILE 29 Ca -0.01 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.57 3cfe n ILE 29 Cb 0.47 -0.55 -0.14 0.00 -1.74 0.00 0.00 39.64 37.68 3cfe n ILE 29 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3cfe n THR 30 N -1.04 0.00 -0.01 7.28 -1.04 -1.26 -4.10 114.28 114.11 3cfe n THR 30 Ca 0.21 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.05 61.77 3cfe n THR 30 Cb 0.12 0.37 -0.10 0.00 -1.82 0.00 0.00 70.33 68.90 3cfe n THR 30 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3cfe h SER 31 N 0.00 0.01 -4.89 8.00 0.02 -1.80 -3.44 113.55 111.45 3cfe h SER 31 Ca 0.00 -0.45 0.28 0.00 -0.84 0.00 0.00 61.79 60.78 3cfe h SER 31 Cb 0.76 -0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.14 3cfe h SER 31 CO 0.00 0.46 0.81 -0.62 -1.14 0.00 0.00 176.83 176.33 3cfe s ASP 32 N -5.67 -0.11 0.00 3.07 -1.08 -1.26 -5.02 116.67 106.60 3cfe s ASP 32 Ca -0.16 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.81 3cfe s ASP 32 Cb 0.02 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.64 3cfe s ASP 32 CO 0.68 -0.28 0.00 -1.22 0.52 0.00 0.00 175.17 174.86 3cfe n TYR 33 N -0.26 0.00 -4.38 -5.34 4.01 -1.26 -4.69 117.16 105.23 3cfe n TYR 33 Ca -0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.43 3cfe n TYR 33 Cb 0.60 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.52 3cfe n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cfe s ALA 34 N -1.80 2.62 -0.06 -0.72 0.00 0.27 -1.24 121.76 120.83 3cfe s ALA 34 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.40 3cfe s ALA 34 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3cfe s ALA 34 CO 0.00 0.46 -0.09 -1.58 0.00 0.00 0.00 175.76 174.55 3cfe s TRP 35 N -1.60 1.20 0.11 0.00 0.52 -0.81 -0.07 118.94 118.30 3cfe s TRP 35 Ca 0.21 -0.44 0.07 0.00 0.02 0.00 0.00 56.10 55.96 3cfe s TRP 35 Cb -0.08 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.25 3cfe s TRP 35 CO 0.11 -0.28 -0.18 -0.80 0.02 0.00 0.00 176.95 175.82 3cfe s ASN 35 N 0.92 2.34 -0.12 2.95 0.01 0.66 -0.35 114.94 121.34 3cfe s ASN 35 Ca -0.10 -0.73 0.01 0.00 -0.71 0.00 0.00 52.86 51.32 3cfe s ASN 35 Cb -0.15 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 3cfe s ASN 35 CO 0.01 -0.02 -0.16 0.26 -1.51 0.00 0.00 177.10 175.68 3cfe s TRP 36 N -1.54 2.74 0.22 2.20 0.52 0.64 -2.22 118.94 121.50 3cfe s TRP 36 Ca 0.07 -0.76 0.01 0.00 0.02 0.00 0.00 56.10 55.45 3cfe s TRP 36 Cb -0.08 -1.81 -0.05 0.00 -1.15 0.00 0.00 33.47 30.38 3cfe s TRP 36 CO 0.04 -0.27 0.05 -0.51 0.02 0.00 0.00 176.95 176.28 3cfe s LEU 37 N 0.35 1.84 0.11 2.99 1.02 0.23 0.36 118.68 125.58 3cfe s LEU 37 Ca -0.13 -1.29 -0.13 0.00 0.02 0.00 0.00 54.13 52.60 3cfe s LEU 37 Cb -0.16 -0.00 0.02 0.00 0.02 0.00 0.00 46.19 46.07 3cfe s LEU 37 CO 0.07 -0.66 0.32 0.00 0.02 0.00 0.00 176.35 176.10 3cfe s ARG 38 N -3.98 0.98 -0.13 1.70 1.70 -0.37 -0.06 118.95 118.79 3cfe s ARG 38 Ca 0.32 -0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 54.78 3cfe s ARG 38 Cb 0.07 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 3cfe s ARG 38 CO 0.09 -0.36 -0.09 -1.14 -1.08 0.00 0.00 175.30 172.72 3cfe s GLN 39 N -3.80 1.68 0.28 3.89 0.74 -0.02 -0.63 119.66 121.80 3cfe s GLN 39 Ca 0.03 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.11 3cfe s GLN 39 Cb 0.03 -1.73 -0.04 0.00 1.10 0.00 0.00 33.01 32.37 3cfe s GLN 39 CO -0.12 -0.28 0.46 -0.51 -0.55 0.00 0.00 175.29 174.30 3cfe s LEU 40 N 1.66 4.15 0.23 3.68 1.43 -1.03 -0.95 118.68 127.84 3cfe s LEU 40 Ca 0.05 0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 3cfe s LEU 40 Cb -0.13 -3.17 -0.13 0.00 0.03 0.00 0.00 46.19 42.79 3cfe s LEU 40 CO -0.09 -0.17 0.24 -2.65 0.23 0.00 0.00 176.35 173.92 3cfe n PRO 41 N -1.35 0.00 -1.02 1.29 -0.02 -1.26 -1.75 135.00 130.89 3cfe n PRO 41 Ca -0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.42 3cfe n PRO 41 Cb 0.56 -0.79 -0.00 0.00 -0.02 0.00 0.00 33.50 33.25 3cfe n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfe n GLY 42 N 1.70 0.48 2.54 -1.23 0.00 -1.26 -3.99 105.19 103.44 3cfe n GLY 42 Ca 0.12 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3cfe n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cfe n ASN 43 N 0.86 -5.51 -4.56 1.61 5.03 -0.72 -4.93 115.26 107.05 3cfe n ASN 43 Ca -0.01 0.38 -0.43 0.00 0.87 0.00 0.00 54.58 55.39 3cfe n ASN 43 Cb 0.05 -4.72 -0.04 0.00 -1.02 0.00 0.00 39.78 34.04 3cfe n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3cfe s LYS 44 N -4.02 3.49 -0.24 3.52 1.02 -1.12 -4.85 119.74 117.55 3cfe s LYS 44 Ca 0.00 0.08 -0.19 0.00 0.02 0.00 0.00 55.97 55.88 3cfe s LYS 44 Cb 0.00 -3.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 3cfe s LYS 44 CO 0.00 -1.22 0.55 -1.17 -0.92 0.00 0.00 175.35 172.59 3cfe s LEU 45 N 3.67 4.08 -0.10 3.17 2.96 -1.26 -2.47 118.68 128.72 3cfe s LEU 45 Ca 0.35 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3cfe s LEU 45 Cb -0.11 -2.72 0.02 0.00 0.50 0.00 0.00 46.19 43.88 3cfe s LEU 45 CO 0.25 -0.28 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.18 3cfe s GLU 46 N 2.18 1.93 0.26 1.98 2.12 0.19 -4.99 118.70 122.37 3cfe s GLU 46 Ca 0.23 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 3cfe s GLU 46 Cb -0.16 -1.71 -0.09 0.00 0.26 0.00 0.00 34.13 32.43 3cfe s GLU 46 CO 0.09 -0.10 1.02 -0.46 -0.54 0.00 0.00 175.26 175.26 3cfe s TRP 47 N 1.12 3.79 -0.15 5.30 -0.00 -1.26 -1.24 118.94 126.51 3cfe s TRP 47 Ca -0.05 1.81 -0.04 0.00 -0.00 0.00 0.00 56.10 57.83 3cfe s TRP 47 Cb -0.14 -3.13 -0.08 0.00 -0.00 0.00 0.00 33.47 30.12 3cfe s TRP 47 CO -0.03 -0.03 -0.16 -1.33 -0.00 0.00 0.00 176.95 175.40 3cfe n MET 48 N 1.39 0.33 0.00 5.86 2.81 0.16 -4.64 117.12 123.03 3cfe n MET 48 Ca -0.01 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3cfe n MET 48 Cb 0.46 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 3cfe n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cfe n GLY 49 N 2.40 0.02 3.24 3.03 0.00 -0.97 -1.46 105.19 111.46 3cfe n GLY 49 Ca -0.28 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 3cfe n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cfe s TYR 50 N -2.00 1.32 -0.06 1.61 -0.85 -0.64 -0.26 117.35 116.48 3cfe s TYR 50 Ca 0.00 -1.45 -0.01 0.00 -0.52 0.00 0.00 57.07 55.09 3cfe s TYR 50 Cb 0.00 -0.58 0.03 0.00 0.38 0.00 0.00 41.96 41.79 3cfe s TYR 50 CO 0.00 -0.73 0.01 -1.50 -1.52 0.00 0.00 175.55 171.80 3cfe s ILE 51 N -3.91 0.27 1.05 -3.49 2.07 0.52 -2.57 121.20 115.15 3cfe s ILE 51 Ca 0.39 0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 59.64 3cfe s ILE 51 Cb 0.05 -0.43 0.21 0.00 0.13 0.00 0.00 42.46 42.43 3cfe s ILE 51 CO 0.17 0.23 1.11 -0.94 -1.91 0.00 0.00 174.94 173.59 3cfe s SER 52 N 1.80 2.19 0.62 4.50 1.04 0.30 -1.92 113.70 122.23 3cfe s SER 52 Ca 0.02 0.98 0.39 0.00 0.48 0.00 0.00 55.95 57.82 3cfe s SER 52 Cb -0.13 -1.52 1.99 0.00 0.10 0.00 0.00 66.02 66.46 3cfe s SER 52 CO -0.04 -3.38 2.22 0.10 0.98 0.00 0.00 173.24 173.13 3cfe h TYR 53 N -2.06 0.00 -0.29 5.02 -0.00 -1.32 -2.46 116.97 115.85 3cfe h TYR 53 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.21 3cfe h TYR 53 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 3cfe h TYR 53 CO -0.37 0.01 0.00 -1.13 -0.00 0.00 0.00 178.16 176.67 3cfe n SER 54 N -3.16 3.21 0.00 0.10 3.41 -1.26 -4.53 113.62 111.38 3cfe n SER 54 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3cfe n SER 54 Cb 0.16 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3cfe n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfe n GLY 55 N 1.45 0.69 3.73 5.00 0.00 -0.93 -5.05 105.19 110.08 3cfe n GLY 55 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3cfe n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cfe s ARG 56 N -0.25 4.49 0.05 1.61 0.52 -1.26 -4.72 118.95 119.38 3cfe s ARG 56 Ca 0.00 1.79 0.09 0.00 -0.52 0.00 0.00 55.73 57.09 3cfe s ARG 56 Cb 0.00 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 3cfe s ARG 56 CO 0.00 -0.12 -0.25 0.42 0.02 0.00 0.00 175.30 175.37 3cfe s ILE 57 N 0.35 2.04 -0.11 1.52 1.01 -1.26 -0.53 121.20 124.21 3cfe s ILE 57 Ca 0.54 -1.37 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3cfe s ILE 57 Cb -0.31 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3cfe s ILE 57 CO 0.33 0.31 0.30 -0.13 0.00 0.00 0.00 174.94 175.75 3cfe s ARG 58 N -1.28 0.32 0.19 2.79 1.81 -1.06 -5.00 118.95 116.73 3cfe s ARG 58 Ca 0.11 0.46 0.10 0.00 -1.72 0.00 0.00 55.73 54.68 3cfe s ARG 58 Cb -0.10 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 3cfe s ARG 58 CO 0.02 -0.07 -0.21 0.71 -0.68 0.00 0.00 175.30 175.07 3cfe s TYR 59 N 0.43 2.08 -0.05 -0.53 2.02 -1.26 -1.62 117.35 118.41 3cfe s TYR 59 Ca -0.02 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 3cfe s TYR 59 Cb -0.04 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3cfe s TYR 59 CO -0.02 0.45 1.30 1.21 -1.57 0.00 0.00 175.55 176.92 3cfe s ASN 60 N -2.78 6.94 0.26 2.29 3.84 -0.53 -4.90 114.94 120.06 3cfe s ASN 60 Ca 0.20 1.92 -0.01 0.00 0.21 0.00 0.00 52.86 55.18 3cfe s ASN 60 Cb -0.06 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.62 3cfe s ASN 60 CO 0.09 -0.68 1.74 -0.65 -2.79 0.00 0.00 177.10 174.82 3cfe h PRO 61 N 7.81 0.52 -0.83 0.43 0.11 -1.95 0.50 132.00 138.58 3cfe h PRO 61 Ca -0.34 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.98 3cfe h PRO 61 Cb 1.16 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3cfe h PRO 61 CO 0.91 0.34 0.74 0.66 -0.21 0.00 0.00 178.00 180.44 3cfe h SER 62 N 0.53 0.00 -0.03 -2.05 4.64 -1.98 -2.61 113.55 112.05 3cfe h SER 62 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3cfe h SER 62 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3cfe h SER 62 CO -0.40 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.74 3cfe n LEU 63 N -3.84 1.49 0.10 5.97 4.77 0.17 -4.80 117.00 120.87 3cfe n LEU 63 Ca 0.17 -1.27 0.12 0.00 -0.03 0.00 0.00 56.01 55.00 3cfe n LEU 63 Cb 1.03 -0.02 0.45 0.00 -2.33 0.00 0.00 43.42 42.56 3cfe n LEU 63 CO 0.32 0.35 0.85 2.29 -1.33 0.00 0.00 177.39 179.87 3cfe n LYS 64 N 0.04 0.17 0.18 3.23 2.85 -0.86 -2.11 118.16 121.66 3cfe n LYS 64 Ca 0.02 0.33 0.05 0.00 -1.05 0.00 0.00 58.31 57.66 3cfe n LYS 64 Cb 0.13 -1.78 0.30 0.00 -0.65 0.00 0.00 35.03 33.03 3cfe n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3cfe h ARG 65 N 0.00 0.00 0.00 -1.58 3.08 -1.87 -3.37 114.38 110.64 3cfe h ARG 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cfe h ARG 65 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3cfe h ARG 65 CO 0.00 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 3cfe n ARG 66 N -3.53 1.47 -4.48 0.04 1.74 -0.90 -5.03 116.66 105.96 3cfe n ARG 66 Ca -0.00 -1.06 -0.30 0.00 -0.77 0.00 0.00 57.85 55.72 3cfe n ARG 66 Cb 0.53 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.93 3cfe n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3cfe s ILE 67 N -0.58 2.79 -0.17 0.55 2.07 -1.09 -0.73 121.20 124.04 3cfe s ILE 67 Ca 0.00 -1.36 -0.04 0.00 -1.41 0.00 0.00 60.65 57.84 3cfe s ILE 67 Cb 0.00 -2.22 0.09 0.00 0.13 0.00 0.00 42.46 40.45 3cfe s ILE 67 CO 0.00 0.22 0.28 -0.55 -1.91 0.00 0.00 174.94 172.97 3cfe s SER 68 N -1.79 0.60 -0.19 4.50 0.15 -0.20 -4.96 113.70 111.81 3cfe s SER 68 Ca 0.16 0.31 -0.08 0.00 0.70 0.00 0.00 55.95 57.04 3cfe s SER 68 Cb -0.10 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3cfe s SER 68 CO 0.08 -0.28 0.09 -0.63 1.20 0.00 0.00 173.24 173.70 3cfe s ILE 69 N 2.42 5.01 0.39 6.45 1.01 -1.26 -1.35 121.20 133.87 3cfe s ILE 69 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3cfe s ILE 69 Cb -0.14 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 3cfe s ILE 69 CO -0.11 0.44 0.10 0.42 0.00 0.00 0.00 174.94 175.79 3cfe s THR 70 N 0.46 0.81 0.11 2.92 -4.23 -1.07 -5.00 115.64 109.64 3cfe s THR 70 Ca 0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 3cfe s THR 70 Cb -0.12 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 3cfe s THR 70 CO -0.00 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.21 3cfe s ARG 71 N -3.78 0.90 -0.27 3.99 1.70 -1.26 -1.58 118.95 118.64 3cfe s ARG 71 Ca 0.26 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.29 3cfe s ARG 71 Cb 0.04 0.30 0.09 0.00 -0.57 0.00 0.00 34.95 34.82 3cfe s ARG 71 CO 0.14 -0.27 0.12 0.34 -1.08 0.00 0.00 175.30 174.54 3cfe s ASP 72 N -2.95 3.42 0.00 -2.89 -1.08 0.43 -4.98 116.67 108.63 3cfe s ASP 72 Ca 0.13 -1.23 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 3cfe s ASP 72 Cb 0.06 -0.40 1.07 0.00 -1.46 0.00 0.00 42.92 42.19 3cfe s ASP 72 CO -0.05 -0.42 1.80 0.35 0.52 0.00 0.00 175.17 177.37 3cfe n THR 73 N 5.20 0.27 -0.04 1.71 -2.24 -1.26 -1.31 114.28 116.61 3cfe n THR 73 Ca -0.06 0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 3cfe n THR 73 Cb 0.43 -0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 3cfe n THR 73 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3cfe h SER 74 N 0.00 0.28 0.16 3.42 0.87 -1.94 -3.16 113.55 113.17 3cfe h SER 74 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 3cfe h SER 74 Cb 0.43 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3cfe h SER 74 CO 0.00 0.79 -0.16 0.29 -0.53 0.00 0.00 176.83 177.22 3cfe n LYS 75 N -4.59 1.10 -3.63 2.24 5.02 -1.11 -4.97 118.16 112.22 3cfe n LYS 75 Ca -0.08 -0.63 -0.25 0.00 -2.02 0.00 0.00 58.31 55.33 3cfe n LYS 75 Cb 0.39 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 3cfe n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3cfe n ASN 76 N -0.40 -4.03 -4.23 4.39 5.15 -0.43 -4.87 115.26 110.84 3cfe n ASN 76 Ca 0.15 -0.91 -0.18 0.00 -0.60 0.00 0.00 54.58 53.04 3cfe n ASN 76 Cb 0.34 -3.88 -0.11 0.00 -0.53 0.00 0.00 39.78 35.60 3cfe n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3cfe s GLN 77 N -5.73 0.99 0.10 1.20 -0.21 -0.76 -2.84 119.66 112.40 3cfe s GLN 77 Ca 0.31 -1.18 0.04 0.00 0.02 0.00 0.00 55.36 54.55 3cfe s GLN 77 Cb -0.09 -0.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.98 3cfe s GLN 77 CO 0.83 0.18 -0.11 -0.59 -2.12 0.00 0.00 175.29 173.48 3cfe s PHE 78 N -1.93 1.13 0.07 0.91 -0.71 -0.83 -0.43 117.98 116.21 3cfe s PHE 78 Ca 0.07 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.40 3cfe s PHE 78 Cb -0.06 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.10 3cfe s PHE 78 CO 0.03 0.03 -0.15 -0.06 -1.34 0.00 0.00 175.22 173.73 3cfe s PHE 79 N -2.25 1.28 0.04 3.49 0.08 -0.61 -0.93 117.98 119.07 3cfe s PHE 79 Ca 0.05 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.73 3cfe s PHE 79 Cb -0.04 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 3cfe s PHE 79 CO 0.01 0.07 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.81 3cfe s LEU 80 N -1.71 2.40 -0.05 -0.37 2.96 -0.89 -2.60 118.68 118.42 3cfe s LEU 80 Ca -0.01 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 3cfe s LEU 80 Cb -0.10 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.22 3cfe s LEU 80 CO 0.02 0.26 0.09 -1.58 -1.32 0.00 0.00 176.35 173.82 3cfe s GLN 81 N -1.32 -0.05 -0.25 1.98 0.74 -0.46 -1.74 119.66 118.57 3cfe s GLN 81 Ca 0.13 0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.97 3cfe s GLN 81 Cb -0.10 -0.43 0.04 0.00 1.10 0.00 0.00 33.01 33.62 3cfe s GLN 81 CO 0.04 -0.31 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.19 3cfe s LEU 82 N 2.14 3.21 0.64 3.68 2.96 -0.45 -1.03 118.68 129.84 3cfe s LEU 82 Ca 0.04 -1.12 -0.10 0.00 -0.22 0.00 0.00 54.13 52.73 3cfe s LEU 82 Cb -0.12 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3cfe s LEU 82 CO -0.04 -0.15 1.03 0.20 -1.32 0.00 0.00 176.35 176.07 3cfe s ASN 82 N 1.21 5.81 -1.31 3.68 0.01 0.09 -0.95 114.94 123.48 3cfe s ASN 82 Ca -0.04 1.17 -0.04 0.00 -0.71 0.00 0.00 52.86 53.24 3cfe s ASN 82 Cb -0.18 -2.12 -0.00 0.00 0.41 0.00 0.00 41.25 39.35 3cfe s ASN 82 CO -0.06 -1.08 0.59 -1.20 -1.51 0.00 0.00 177.10 173.85 3cfe n SER 82 N -2.81 -1.70 -4.74 -1.22 7.64 -1.19 -4.89 113.62 104.71 3cfe n SER 82 Ca 0.06 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.59 3cfe n SER 82 Cb 0.56 -3.49 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 3cfe n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3cfe s VAL 82 N -3.76 3.44 0.29 0.44 -7.23 -0.68 -4.62 120.40 108.28 3cfe s VAL 82 Ca 0.10 1.26 0.03 0.00 -1.81 0.00 0.00 61.98 61.57 3cfe s VAL 82 Cb -0.04 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.13 3cfe s VAL 82 CO 0.86 0.23 0.24 0.35 -0.31 0.00 0.00 175.10 176.46 3cfe n THR 83 N 2.13 0.00 0.21 5.32 -2.24 -1.26 -0.50 114.28 117.94 3cfe n THR 83 Ca 0.03 -1.13 0.08 0.00 -2.27 0.00 0.00 64.05 60.76 3cfe n THR 83 Cb 0.44 -0.32 0.40 0.00 -2.10 0.00 0.00 70.33 68.75 3cfe n THR 83 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3cfe h THR 84 N 0.52 0.66 -0.22 4.28 1.35 -1.97 -1.68 112.91 115.86 3cfe h THR 84 Ca -0.18 -1.29 0.06 0.00 -0.55 0.00 0.00 66.41 64.45 3cfe h THR 84 Cb 0.67 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 3cfe h THR 84 CO 0.28 0.28 0.33 -0.33 -0.25 0.00 0.00 175.52 175.82 3cfe h GLU 85 N 0.00 0.00 -0.10 4.72 5.08 -1.95 -1.51 114.58 120.82 3cfe h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cfe h GLU 85 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3cfe h GLU 85 CO 0.04 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.80 3cfe n ASP 86 N -3.49 0.85 -4.66 1.42 8.00 -0.63 -4.79 116.55 113.25 3cfe n ASP 86 Ca 0.03 -1.64 -0.43 0.00 0.71 0.00 0.00 54.79 53.47 3cfe n ASP 86 Cb 0.45 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3cfe n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3cfe s THR 87 N -1.87 3.82 0.19 -3.53 2.01 -0.57 -4.82 115.64 110.86 3cfe s THR 87 Ca 0.27 0.98 -0.22 0.00 0.31 0.00 0.00 61.69 63.03 3cfe s THR 87 Cb 0.14 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 69.07 3cfe s THR 87 CO 0.21 -0.10 1.01 0.00 -0.69 0.00 0.00 174.62 175.05 3cfe s ALA 88 N 3.93 -1.56 -0.21 7.40 0.00 -0.97 -4.45 121.76 125.91 3cfe s ALA 88 Ca 0.67 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3cfe s ALA 88 Cb -0.29 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3cfe s ALA 88 CO 0.25 -1.06 0.29 0.99 0.00 0.00 0.00 175.76 176.23 3cfe s THR 89 N -2.37 5.27 -0.04 0.00 2.01 -0.13 -1.41 115.64 118.98 3cfe s THR 89 Ca 0.20 0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.63 3cfe s THR 89 Cb -0.02 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3cfe s THR 89 CO 0.05 0.31 0.19 -0.31 -0.69 0.00 0.00 174.62 174.17 3cfe s TYR 90 N 1.09 3.58 -0.04 4.92 1.51 0.15 -0.84 117.35 127.72 3cfe s TYR 90 Ca 0.14 0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.69 3cfe s TYR 90 Cb -0.14 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3cfe s TYR 90 CO 0.06 0.67 -0.04 0.71 -1.11 0.00 0.00 175.55 175.84 3cfe s TYR 91 N -1.22 0.69 0.05 2.71 2.02 0.91 -0.67 117.35 121.84 3cfe s TYR 91 Ca 0.23 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3cfe s TYR 91 Cb -0.13 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3cfe s TYR 91 CO 0.13 -0.18 0.22 0.00 -1.57 0.00 0.00 175.55 174.15 3cfe s ALA 93 N -1.49 -1.37 -0.02 0.00 0.00 -0.94 -0.77 121.76 117.17 3cfe s ALA 93 Ca 0.34 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 3cfe s ALA 93 Cb -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3cfe s ALA 93 CO 0.27 -0.30 0.36 0.50 0.00 0.00 0.00 175.76 176.59 3cfe s ARG 94 N -0.50 3.83 0.06 0.00 3.52 -0.13 -0.24 118.95 125.48 3cfe s ARG 94 Ca -0.06 0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.85 3cfe s ARG 94 Cb -0.03 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 3cfe s ARG 94 CO 0.04 0.70 -0.04 -1.54 -0.81 0.00 0.00 175.30 173.66 3cfe s SER 95 N -1.09 0.61 0.11 -2.12 1.04 0.90 -0.47 113.70 112.68 3cfe s SER 95 Ca 0.22 -0.91 -0.34 0.00 0.48 0.00 0.00 55.95 55.41 3cfe s SER 95 Cb -0.16 0.16 -0.18 0.00 0.10 0.00 0.00 66.02 65.94 3cfe s SER 95 CO 0.12 -0.51 0.83 0.47 0.98 0.00 0.00 173.24 175.13 3cfe n ASP 96 N 0.35 -0.45 -4.46 7.02 8.00 -1.09 -0.56 116.55 125.35 3cfe n ASP 96 Ca -0.15 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.06 3cfe n ASP 96 Cb 0.60 -0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 3cfe n ASP 96 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cfe s TYR 97 N -0.48 2.85 0.00 1.24 5.04 -1.26 -4.49 117.35 120.25 3cfe s TYR 97 Ca 0.77 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 3cfe s TYR 97 Cb -1.08 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 37.24 3cfe s TYR 97 CO 0.56 -1.35 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 3cfe n GLY 98 N 5.22 0.34 1.02 8.97 0.00 -1.26 -4.96 105.19 114.52 3cfe n GLY 98 Ca -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3cfe n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cfe n ASN 99 N 4.06 0.00 0.18 1.61 0.23 -1.26 -1.57 115.26 118.51 3cfe n ASN 99 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 3cfe n ASN 99 Cb 0.00 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 37.90 3cfe n ASN 99 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 3cfe h TYR 100 N 0.00 0.00 -5.49 -2.53 0.05 -1.92 -3.48 116.97 103.61 3cfe h TYR 100 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 3cfe h TYR 100 Cb 0.00 0.00 0.18 0.00 1.01 0.00 0.00 36.73 37.92 3cfe h TYR 100 CO 0.00 0.00 -0.79 0.41 -1.05 0.00 0.00 178.16 176.73 3cfe n GLY 100 N 1.16 -1.17 3.23 3.88 0.00 -0.61 -5.01 105.19 106.67 3cfe n GLY 100 Ca 0.04 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 3cfe n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cfe s ARG 100 N -4.35 2.27 -0.59 1.61 1.70 -1.26 -4.94 118.95 113.39 3cfe s ARG 100 Ca 0.42 -0.81 -0.24 0.00 -0.47 0.00 0.00 55.73 54.63 3cfe s ARG 100 Cb -0.06 -1.95 0.05 0.00 -0.57 0.00 0.00 34.95 32.41 3cfe s ARG 100 CO 0.75 0.35 0.98 0.20 -1.08 0.00 0.00 175.30 176.50 3cfe s GLY 100 N -0.13 1.35 0.19 3.88 0.00 -1.26 -2.69 107.32 108.66 3cfe s GLY 100 Ca -0.03 -1.37 0.22 0.00 0.00 0.00 0.00 44.72 43.54 3cfe s GLY 100 CO 0.03 2.12 1.01 2.09 0.00 0.00 0.00 173.10 178.35 3cfe n ASP 101 N 7.71 0.82 -3.89 1.64 5.68 0.38 -4.85 116.55 124.04 3cfe n ASP 101 Ca 0.01 0.32 -0.14 0.00 -0.50 0.00 0.00 54.79 54.47 3cfe n ASP 101 Cb 0.47 0.50 -0.15 0.00 -1.14 0.00 0.00 41.12 40.80 3cfe n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3cfe s TYR 102 N -3.35 0.25 0.07 2.11 2.02 -1.24 -5.01 117.35 112.19 3cfe s TYR 102 Ca -0.01 -0.03 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 3cfe s TYR 102 Cb 0.10 -0.20 -0.03 0.00 -0.40 0.00 0.00 41.96 41.43 3cfe s TYR 102 CO 0.80 -0.03 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.99 3cfe s TRP 103 N 0.15 1.50 1.05 2.71 0.52 -1.26 -0.95 118.94 122.66 3cfe s TRP 103 Ca -0.01 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.56 3cfe s TRP 103 Cb -0.03 -0.86 0.21 0.00 -1.15 0.00 0.00 33.47 31.64 3cfe s TRP 103 CO -0.00 0.10 1.11 0.20 0.02 0.00 0.00 176.95 178.37 3cfe s GLY 104 N -1.51 1.57 0.12 0.98 0.00 0.05 -4.66 107.32 103.87 3cfe s GLY 104 Ca 0.03 -0.58 0.26 0.00 0.00 0.00 0.00 44.72 44.43 3cfe s GLY 104 CO 0.02 0.11 1.80 0.61 0.00 0.00 0.00 173.10 175.65 3cfe n GLN 105 N -4.30 0.14 0.00 2.90 10.64 -1.26 -4.82 117.38 120.67 3cfe n GLN 105 Ca 0.08 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 3cfe n GLN 105 Cb 0.58 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 3cfe n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cfe n GLY 106 N 1.13 2.23 2.91 2.61 0.00 -1.26 -5.06 105.19 107.75 3cfe n GLY 106 Ca 0.06 -1.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 3cfe n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cfe s THR 107 N -2.41 -0.17 0.03 2.61 -1.32 0.15 -4.90 115.64 109.64 3cfe s THR 107 Ca 0.00 0.26 -0.27 0.00 -1.21 0.00 0.00 61.69 60.47 3cfe s THR 107 Cb 0.00 -0.29 -0.05 0.00 -1.51 0.00 0.00 72.50 70.65 3cfe s THR 107 CO 0.00 0.11 0.83 -0.55 -2.21 0.00 0.00 174.62 172.80 3cfe s SER 108 N 1.74 7.27 -0.03 8.08 0.15 -1.26 0.33 113.70 129.97 3cfe s SER 108 Ca -0.03 1.52 0.03 0.00 0.70 0.00 0.00 55.95 58.17 3cfe s SER 108 Cb -0.12 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3cfe s SER 108 CO -0.06 -0.07 -0.12 -0.69 1.20 0.00 0.00 173.24 173.49 3cfe s VAL 109 N 0.27 1.04 -0.07 4.45 1.01 -0.50 -4.55 120.40 122.05 3cfe s VAL 109 Ca 0.42 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3cfe s VAL 109 Cb -0.21 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3cfe s VAL 109 CO 0.25 0.31 -0.20 -0.89 0.00 0.00 0.00 175.10 174.56 3cfe s THR 110 N 0.03 2.51 -0.44 3.92 2.01 0.85 -2.28 115.64 122.23 3cfe s THR 110 Ca -0.01 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 3cfe s THR 110 Cb -0.09 -1.96 0.09 0.00 0.01 0.00 0.00 72.50 70.56 3cfe s THR 110 CO 0.01 0.57 0.29 -0.69 -0.69 0.00 0.00 174.62 174.10 3cfe s VAL 111 N -0.22 4.18 0.04 3.82 1.01 -1.26 -1.03 120.40 126.94 3cfe s VAL 111 Ca -0.01 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 3cfe s VAL 111 Cb -0.13 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3cfe s VAL 111 CO 0.03 -0.61 0.29 -0.55 0.00 0.00 0.00 175.10 174.27 3cfe s SER 112 N 2.31 -0.11 0.17 3.32 0.15 -1.02 -4.45 113.70 114.06 3cfe s SER 112 Ca 0.04 -0.19 0.26 0.00 0.70 0.00 0.00 55.95 56.75 3cfe s SER 112 Cb -0.24 0.35 0.69 0.00 -1.71 0.00 0.00 66.02 65.11 3cfe s SER 112 CO 0.01 -0.60 1.64 -1.54 1.20 0.00 0.00 173.24 173.94 3cfe n SER 113 N 0.62 0.73 -4.60 5.45 3.41 -1.26 -4.09 113.62 113.87 3cfe n SER 113 Ca -0.19 0.41 -0.49 0.00 -0.26 0.00 0.00 58.87 58.35 3cfe n SER 113 Cb 0.59 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 3cfe n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfe n ALA 114 N -1.77 -0.43 -1.82 7.33 0.00 -1.26 -4.92 120.51 117.64 3cfe n ALA 114 Ca 0.05 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 3cfe n ALA 114 Cb 0.43 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 3cfe n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cfe s LYS 115 N 0.01 4.52 0.26 0.00 1.02 -1.26 -4.98 119.74 119.30 3cfe s LYS 115 Ca 0.77 1.96 -0.31 0.00 0.02 0.00 0.00 55.97 58.41 3cfe s LYS 115 Cb -0.85 -3.16 -0.13 0.00 -0.52 0.00 0.00 37.83 33.17 3cfe s LYS 115 CO 0.49 0.02 1.34 2.41 -0.92 0.00 0.00 175.35 178.69 3cfe n THR 116 N 1.35 1.21 -3.85 2.17 -1.04 -1.26 -4.79 114.28 108.07 3cfe n THR 116 Ca 0.00 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 61.59 3cfe n THR 116 Cb 0.44 -1.41 -0.14 0.00 -1.82 0.00 0.00 70.33 67.40 3cfe n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3cfe s THR 117 N -0.32 -0.01 0.54 12.58 2.01 0.19 -4.95 115.64 125.68 3cfe s THR 117 Ca 0.66 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 3cfe s THR 117 Cb -0.65 -0.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 3cfe s THR 117 CO 0.53 0.01 1.00 -2.16 -0.69 0.00 0.00 174.62 173.30 3cfe s PRO 118 N 0.14 3.86 0.74 4.92 0.04 -1.26 -2.56 135.00 140.88 3cfe s PRO 118 Ca -0.01 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 3cfe s PRO 118 Cb -0.02 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.44 3cfe s PRO 118 CO -0.00 -0.35 1.09 -1.25 0.04 0.00 0.00 177.00 176.53 3cfe s PRO 119 N -4.28 2.58 -0.15 0.56 0.04 -1.26 -4.50 135.00 127.98 3cfe s PRO 119 Ca 0.58 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.17 3cfe s PRO 119 Cb -0.10 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3cfe s PRO 119 CO 0.36 -1.27 0.08 -1.12 0.04 0.00 0.00 177.00 175.09 3cfe s SER 120 N -4.08 5.87 -0.20 6.66 0.01 -0.44 -4.95 113.70 116.57 3cfe s SER 120 Ca 0.59 0.22 -0.02 0.00 1.31 0.00 0.00 55.95 58.05 3cfe s SER 120 Cb -0.13 -1.94 -0.00 0.00 0.21 0.00 0.00 66.02 64.16 3cfe s SER 120 CO 0.53 0.27 -0.09 -0.69 0.41 0.00 0.00 173.24 173.67 3cfe s VAL 121 N -0.19 3.05 -0.09 3.43 1.01 -1.26 -0.90 120.40 125.45 3cfe s VAL 121 Ca 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3cfe s VAL 121 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3cfe s VAL 121 CO 0.01 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.03 3cfe s TYR 122 N 1.28 2.42 0.55 5.22 2.02 0.67 -4.93 117.35 124.58 3cfe s TYR 122 Ca 0.03 -0.95 -0.18 0.00 -0.37 0.00 0.00 57.07 55.61 3cfe s TYR 122 Cb -0.14 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3cfe s TYR 122 CO -0.04 -0.37 1.06 -1.25 -1.57 0.00 0.00 175.55 173.37 3cfe s PRO 123 N 0.30 3.47 -0.38 -1.71 0.04 -1.26 -0.38 135.00 135.08 3cfe s PRO 123 Ca -0.16 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.20 3cfe s PRO 123 Cb -0.17 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.43 3cfe s PRO 123 CO 0.08 -0.70 0.14 -0.51 0.04 0.00 0.00 177.00 176.05 3cfe s LEU 124 N -4.10 3.24 0.10 -3.56 1.43 0.17 -4.82 118.68 111.14 3cfe s LEU 124 Ca 0.66 -2.20 0.06 0.00 -1.03 0.00 0.00 54.13 51.62 3cfe s LEU 124 Cb -0.17 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3cfe s LEU 124 CO 0.30 -0.34 -0.06 0.00 0.23 0.00 0.00 176.35 176.48 3cfe s ALA 125 N 0.87 3.09 0.39 4.21 0.00 -1.26 -2.00 121.76 127.05 3cfe s ALA 125 Ca 0.13 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.63 3cfe s ALA 125 Cb -0.21 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.80 3cfe s ALA 125 CO -0.11 0.66 1.19 -2.30 0.00 0.00 0.00 175.76 175.20 3cfe n PRO 126 N 0.62 1.79 -1.77 0.00 -0.02 -1.26 -4.94 135.00 129.42 3cfe n PRO 126 Ca -0.12 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 3cfe n PRO 126 Cb 0.52 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3cfe n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfe n GLY 127 N 0.92 1.10 0.30 -1.23 0.00 -1.26 -4.88 105.19 100.14 3cfe n GLY 127 Ca 0.07 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3cfe n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfe h GLY 129 N 0.00 0.00 -6.92 0.00 0.00 -2.03 -3.41 103.07 90.71 3cfe h GLY 129 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.88 3cfe h GLY 129 CO -0.00 0.00 1.72 1.34 0.00 0.00 0.00 176.54 179.60 3cfe n ASP 130 N -3.46 2.66 -4.77 0.19 2.03 0.63 -4.92 116.55 108.91 3cfe n ASP 130 Ca 0.00 -2.68 -0.41 0.00 0.52 0.00 0.00 54.79 52.23 3cfe n ASP 130 Cb 0.52 -1.35 -0.02 0.00 -0.72 0.00 0.00 41.12 39.55 3cfe n ASP 130 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3cfe s THR 133 N 7.75 2.52 0.00 5.18 -4.23 -1.26 -4.86 115.64 120.73 3cfe s THR 133 Ca 0.63 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 3cfe s THR 133 Cb 0.08 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3cfe s THR 133 CO 0.14 0.11 0.00 0.35 -0.54 0.00 0.00 174.62 174.68 3cfe n THR 134 N 1.00 0.00 0.00 3.99 -2.24 -1.26 -5.16 114.28 110.61 3cfe n THR 134 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3cfe n THR 134 Cb 0.41 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3cfe n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cfe n GLY 135 N 5.00 3.59 0.40 3.38 0.00 -1.26 -5.03 105.19 111.27 3cfe n GLY 135 Ca 0.00 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.82 3cfe n GLY 135 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3cfe h SER 136 N 0.00 0.45 -5.32 1.61 0.87 -2.00 -3.42 113.55 105.75 3cfe h SER 136 Ca 0.00 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 3cfe h SER 136 Cb 0.00 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 3cfe h SER 136 CO 0.00 0.17 0.01 -0.94 -0.53 0.00 0.00 176.83 175.54 3cfe s SER 137 N -5.57 0.63 -0.01 6.23 1.04 -1.26 -2.98 113.70 111.77 3cfe s SER 137 Ca -0.09 -1.40 0.03 0.00 0.48 0.00 0.00 55.95 54.97 3cfe s SER 137 Cb 0.23 0.76 -0.00 0.00 0.10 0.00 0.00 66.02 67.11 3cfe s SER 137 CO 0.79 -1.50 -0.09 -0.69 0.98 0.00 0.00 173.24 172.73 3cfe s VAL 138 N -2.59 0.71 -0.10 5.02 1.01 0.56 -4.68 120.40 120.34 3cfe s VAL 138 Ca 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3cfe s VAL 138 Cb -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3cfe s VAL 138 CO 0.18 0.21 -0.02 -0.89 0.00 0.00 0.00 175.10 174.57 3cfe s THR 139 N -0.12 4.10 0.26 3.92 2.01 -1.26 -0.90 115.64 123.65 3cfe s THR 139 Ca 0.02 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.73 3cfe s THR 139 Cb -0.04 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3cfe s THR 139 CO -0.00 0.58 0.06 -0.44 -0.69 0.00 0.00 174.62 174.12 3cfe s SER 140 N -0.60 1.65 0.26 3.53 0.01 0.40 -4.72 113.70 114.24 3cfe s SER 140 Ca 0.10 -1.33 -0.21 0.00 1.31 0.00 0.00 55.95 55.82 3cfe s SER 140 Cb -0.12 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3cfe s SER 140 CO 0.02 -0.64 0.70 -0.83 0.41 0.00 0.00 173.24 172.91 3cfe s GLY 141 N -3.35 -0.15 -0.02 3.44 0.00 -0.85 0.08 107.32 106.48 3cfe s GLY 141 Ca 0.34 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.89 3cfe s GLY 141 CO 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 173.10 173.02 3cfe s LEU 143 N -1.07 3.16 -0.37 0.00 2.96 0.49 -1.81 118.68 122.05 3cfe s LEU 143 Ca 0.14 -0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 3cfe s LEU 143 Cb -0.11 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3cfe s LEU 143 CO 0.03 -0.08 0.21 -0.69 -1.32 0.00 0.00 176.35 174.50 3cfe s VAL 144 N 1.44 4.64 0.11 1.68 1.01 -0.75 -0.24 120.40 128.29 3cfe s VAL 144 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.29 3cfe s VAL 144 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3cfe s VAL 144 CO -0.02 -0.21 -0.18 -0.75 0.00 0.00 0.00 175.10 173.94 3cfe s LYS 145 N 1.57 1.04 -0.82 2.72 2.20 -0.08 -0.48 119.74 125.90 3cfe s LYS 145 Ca 0.02 -1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 54.46 3cfe s LYS 145 Cb -0.19 -1.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 3cfe s LYS 145 CO 0.07 0.25 0.69 0.41 -0.36 0.00 0.00 175.35 176.42 3cfe n GLY 146 N 0.94 -0.06 3.43 5.54 0.00 0.42 -1.33 105.19 114.14 3cfe n GLY 146 Ca -0.18 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3cfe n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cfe s TYR 147 N -3.22 1.99 -0.28 1.61 1.13 -0.89 -4.53 117.35 113.15 3cfe s TYR 147 Ca 0.15 -0.62 -0.23 0.00 -1.41 0.00 0.00 57.07 54.95 3cfe s TYR 147 Cb -0.06 -1.07 0.12 0.00 -1.10 0.00 0.00 41.96 39.84 3cfe s TYR 147 CO 0.47 0.37 0.98 0.12 -2.51 0.00 0.00 175.55 174.98 3cfe s PHE 148 N -2.92 -0.54 0.68 -3.49 5.36 -1.06 -0.32 117.98 115.69 3cfe s PHE 148 Ca 0.29 1.27 -0.09 0.00 -0.96 0.00 0.00 56.93 57.44 3cfe s PHE 148 Cb 0.02 0.36 0.15 0.00 -0.34 0.00 0.00 43.02 43.21 3cfe s PHE 148 CO 0.12 -0.26 0.92 -0.35 -1.46 0.00 0.00 175.22 174.19 3cfe n PRO 149 N 2.57 -0.67 -2.19 10.12 -0.04 -1.26 0.57 135.00 144.09 3cfe n PRO 149 Ca -0.14 -1.68 -0.35 0.00 -0.04 0.00 0.00 63.50 61.30 3cfe n PRO 149 Cb 0.56 -0.87 0.01 0.00 -0.04 0.00 0.00 33.50 33.16 3cfe n PRO 149 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3cfe s GLU 150 N -4.96 3.28 0.53 0.54 2.12 -1.26 -4.82 118.70 114.13 3cfe s GLU 150 Ca 0.54 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.48 3cfe s GLU 150 Cb -0.02 -2.00 0.01 0.00 0.26 0.00 0.00 34.13 32.38 3cfe s GLU 150 CO 0.38 -0.90 0.11 -1.12 -0.54 0.00 0.00 175.26 173.18 3cfe s SER 151 N -1.88 4.28 -0.01 -1.70 0.01 -1.26 -5.01 113.70 108.13 3cfe s SER 151 Ca 0.72 -1.58 0.01 0.00 1.31 0.00 0.00 55.95 56.41 3cfe s SER 151 Cb -0.23 0.59 0.01 0.00 0.21 0.00 0.00 66.02 66.59 3cfe s SER 151 CO 0.29 -0.96 -0.04 -0.69 0.41 0.00 0.00 173.24 172.25 3cfe s VAL 152 N -2.87 0.36 -0.18 3.43 1.01 -1.26 -4.52 120.40 116.37 3cfe s VAL 152 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3cfe s VAL 152 Cb -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3cfe s VAL 152 CO 0.06 0.13 0.04 -0.89 0.00 0.00 0.00 175.10 174.45 3cfe s THR 153 N 0.23 4.62 -0.19 3.92 2.01 -0.65 -4.97 115.64 120.61 3cfe s THR 153 Ca -0.02 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 3cfe s THR 153 Cb -0.06 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3cfe s THR 153 CO -0.00 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.56 3cfe s VAL 154 N 0.35 2.50 0.13 3.82 1.01 -1.26 -0.58 120.40 126.37 3cfe s VAL 154 Ca 0.02 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.31 3cfe s VAL 154 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3cfe s VAL 154 CO 0.01 0.50 -0.26 0.42 0.00 0.00 0.00 175.10 175.76 3cfe s THR 156 N 1.34 2.20 0.02 3.92 -4.23 -0.02 -4.95 115.64 113.93 3cfe s THR 156 Ca 0.05 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 58.90 3cfe s THR 156 Cb -0.13 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3cfe s THR 156 CO -0.10 0.07 -0.24 0.26 -0.54 0.00 0.00 174.62 174.07 3cfe s TRP 157 N -1.09 2.39 0.06 3.99 0.52 -1.26 0.18 118.94 123.73 3cfe s TRP 157 Ca 0.13 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.94 3cfe s TRP 157 Cb -0.10 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3cfe s TRP 157 CO 0.06 0.11 -0.17 -0.80 0.02 0.00 0.00 176.95 176.16 3cfe s ASN 162 N -1.07 2.07 0.42 2.95 0.01 -0.82 -5.03 114.94 113.46 3cfe s ASN 162 Ca 0.12 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 3cfe s ASN 162 Cb -0.10 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.44 3cfe s ASN 162 CO 0.02 0.04 0.00 -1.54 -1.51 0.00 0.00 177.10 174.11 3cfe n SER 163 N 1.54 -2.99 0.00 -1.22 3.41 -1.26 -2.03 113.62 111.07 3cfe n SER 163 Ca -0.19 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3cfe n SER 163 Cb 0.54 2.85 0.00 0.00 -0.26 0.00 0.00 64.21 67.34 3cfe n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfe n GLY 164 N -0.55 1.15 3.75 5.00 0.00 -1.26 -4.37 105.19 108.91 3cfe n GLY 164 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3cfe n GLY 164 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfe s SER 165 N 0.00 6.83 0.00 1.61 1.04 -1.26 -4.96 113.70 116.97 3cfe s SER 165 Ca 0.00 0.99 0.20 0.00 0.48 0.00 0.00 55.95 57.63 3cfe s SER 165 Cb 0.00 -2.32 1.22 0.00 0.10 0.00 0.00 66.02 65.02 3cfe s SER 165 CO 0.00 0.07 1.71 0.18 0.98 0.00 0.00 173.24 176.18 3cfe n LEU 166 N 3.11 0.00 -2.36 2.42 4.77 -1.26 -3.46 117.00 120.22 3cfe n LEU 166 Ca -0.07 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.68 3cfe n LEU 166 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 3cfe n LEU 166 CO 0.43 0.00 1.59 -1.54 -1.33 0.00 0.00 177.39 176.54 3cfe n SER 167 N -0.86 6.16 -4.17 -1.43 3.41 -1.26 -4.90 113.62 110.57 3cfe n SER 167 Ca 0.15 -3.02 -0.35 0.00 -0.26 0.00 0.00 58.87 55.39 3cfe n SER 167 Cb 0.07 -1.28 -0.13 0.00 -0.26 0.00 0.00 64.21 62.61 3cfe n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfe s SER 168 N 0.77 4.93 -0.12 4.04 1.04 -1.22 -4.54 113.70 118.60 3cfe s SER 168 Ca 0.61 -1.37 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 3cfe s SER 168 Cb 0.37 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 3cfe s SER 168 CO -0.17 -0.29 0.61 -0.94 0.98 0.00 0.00 173.24 173.43 3cfe s SER 169 N 1.31 6.81 0.21 7.02 1.04 -1.19 -4.93 113.70 123.97 3cfe s SER 169 Ca -0.03 0.98 0.07 0.00 0.48 0.00 0.00 55.95 57.45 3cfe s SER 169 Cb -0.20 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3cfe s SER 169 CO -0.01 -0.12 0.06 -0.69 0.98 0.00 0.00 173.24 173.46 3cfe s VAL 171 N 1.02 3.95 0.00 5.02 1.01 -1.26 -1.51 120.40 128.64 3cfe s VAL 171 Ca 0.31 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.85 3cfe s VAL 171 Cb -0.16 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3cfe s VAL 171 CO 0.14 -0.21 -0.05 -1.00 0.00 0.00 0.00 175.10 173.97 3cfe s HIS 172 N -1.94 0.42 -0.16 5.22 3.76 -0.53 -4.99 115.29 117.07 3cfe s HIS 172 Ca 0.30 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3cfe s HIS 172 Cb -0.09 -0.27 0.02 0.00 1.11 0.00 0.00 32.58 33.36 3cfe s HIS 172 CO 0.21 -0.02 -0.19 0.99 -0.85 0.00 0.00 174.74 174.89 3cfe s THR 173 N -0.23 1.91 -0.09 1.30 2.01 -1.26 -1.29 115.64 118.00 3cfe s THR 173 Ca 0.00 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 3cfe s THR 173 Cb -0.03 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 3cfe s THR 173 CO -0.00 0.52 0.40 -0.36 -0.69 0.00 0.00 174.62 174.49 3cfe s PHE 174 N 1.21 3.58 0.50 4.92 0.40 -0.32 -5.02 117.98 123.24 3cfe s PHE 174 Ca 0.02 0.85 -0.23 0.00 -0.60 0.00 0.00 56.93 56.96 3cfe s PHE 174 Cb -0.14 -2.40 -0.07 0.00 0.51 0.00 0.00 43.02 40.93 3cfe s PHE 174 CO -0.09 0.36 1.30 -2.30 0.70 0.00 0.00 175.22 175.18 3cfe n PRO 175 N 2.98 1.76 -1.50 0.24 -0.02 -1.26 -3.97 135.00 133.23 3cfe n PRO 175 Ca -0.11 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 3cfe n PRO 175 Cb 0.52 -2.48 0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3cfe n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfe s ALA 176 N -1.27 2.45 -0.00 3.55 0.00 -1.26 -4.82 121.76 120.41 3cfe s ALA 176 Ca 0.67 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 3cfe s ALA 176 Cb -0.45 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3cfe s ALA 176 CO 0.53 -1.49 0.04 -0.51 0.00 0.00 0.00 175.76 174.33 3cfe s LEU 177 N -5.70 1.91 -0.27 0.00 1.43 0.46 -4.91 118.68 111.60 3cfe s LEU 177 Ca 0.59 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 3cfe s LEU 177 Cb -0.15 0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.30 3cfe s LEU 177 CO 0.55 -0.17 1.39 -0.76 0.23 0.00 0.00 176.35 177.59 3cfe s LEU 178 N -0.72 3.89 -0.54 1.79 1.43 -1.26 0.07 118.68 123.34 3cfe s LEU 178 Ca -0.08 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 3cfe s LEU 178 Cb -0.05 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.77 3cfe s LEU 178 CO -0.00 -1.13 0.42 -1.58 0.23 0.00 0.00 176.35 174.29 3cfe s GLN 179 N 4.31 2.63 -0.57 1.70 0.74 0.36 -4.83 119.66 124.00 3cfe s GLN 179 Ca 0.61 -1.99 -0.23 0.00 0.05 0.00 0.00 55.36 53.80 3cfe s GLN 179 Cb -0.19 -3.96 0.03 0.00 1.10 0.00 0.00 33.01 30.00 3cfe s GLN 179 CO 0.25 -1.20 0.64 -1.13 -0.55 0.00 0.00 175.29 173.30 3cfe n SER 180 N 4.54 -5.78 0.00 6.67 3.41 -1.26 -2.57 113.62 118.63 3cfe n SER 180 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3cfe n SER 180 Cb 0.41 -2.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 3cfe n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfe n GLY 183 N -0.72 2.14 3.52 5.00 0.00 -1.26 -4.96 105.19 108.91 3cfe n GLY 183 Ca -0.12 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3cfe n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfe s LEU 184 N 0.00 2.79 0.45 0.99 1.43 -1.06 -5.00 118.68 118.28 3cfe s LEU 184 Ca 0.00 -0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 3cfe s LEU 184 Cb 0.00 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 3cfe s LEU 184 CO 0.00 0.09 0.77 -0.31 0.23 0.00 0.00 176.35 177.13 3cfe s TYR 185 N -1.86 3.53 -0.14 0.29 2.02 0.56 0.14 117.35 121.89 3cfe s TYR 185 Ca 0.25 0.89 -0.10 0.00 -0.37 0.00 0.00 57.07 57.74 3cfe s TYR 185 Cb -0.08 -2.34 0.04 0.00 -0.40 0.00 0.00 41.96 39.18 3cfe s TYR 185 CO 0.14 -0.21 0.34 0.99 -1.57 0.00 0.00 175.55 175.25 3cfe s THR 186 N -2.60 -0.02 0.28 -0.71 2.01 0.11 -0.43 115.64 114.28 3cfe s THR 186 Ca 0.49 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.58 3cfe s THR 186 Cb -0.10 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 3cfe s THR 186 CO 0.40 0.02 0.20 0.00 -0.69 0.00 0.00 174.62 174.56 3cfe s MET 187 N 0.79 1.53 0.18 4.92 0.23 0.37 -0.40 119.30 126.92 3cfe s MET 187 Ca -0.05 -1.86 -0.22 0.00 -1.03 0.00 0.00 55.69 52.53 3cfe s MET 187 Cb -0.06 0.22 0.06 0.00 -1.53 0.00 0.00 34.83 33.51 3cfe s MET 187 CO -0.06 -0.52 0.60 -1.54 -2.03 0.00 0.00 175.02 171.48 3cfe s SER 188 N -3.30 -0.47 -0.03 -1.18 1.04 -1.26 -1.81 113.70 106.70 3cfe s SER 188 Ca 0.39 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 3cfe s SER 188 Cb 0.04 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.79 3cfe s SER 188 CO 0.20 -1.04 0.18 -0.55 0.98 0.00 0.00 173.24 173.02 3cfe s SER 189 N -2.79 -0.09 0.16 7.02 0.15 -0.75 -1.17 113.70 116.24 3cfe s SER 189 Ca 0.04 0.05 0.11 0.00 0.70 0.00 0.00 55.95 56.84 3cfe s SER 189 Cb -0.02 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 3cfe s SER 189 CO -0.09 -0.27 -0.22 -0.94 1.20 0.00 0.00 173.24 172.92 3cfe s SER 190 N -0.83 3.56 0.03 5.45 1.04 -0.41 -1.42 113.70 121.11 3cfe s SER 190 Ca -0.09 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.59 3cfe s SER 190 Cb -0.05 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 3cfe s SER 190 CO 0.01 0.14 -0.05 0.54 0.98 0.00 0.00 173.24 174.86 3cfe s VAL 191 N -1.44 0.32 -0.01 5.02 0.11 0.11 -1.45 120.40 123.06 3cfe s VAL 191 Ca 0.19 -0.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.39 3cfe s VAL 191 Cb -0.09 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3cfe s VAL 191 CO 0.09 -0.39 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.39 3cfe s THR 192 N -1.29 1.53 0.02 5.04 2.01 -0.57 -0.45 115.64 121.94 3cfe s THR 192 Ca -0.12 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3cfe s THR 192 Cb -0.09 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.13 3cfe s THR 192 CO -0.00 0.42 0.07 0.68 -0.69 0.00 0.00 174.62 175.10 3cfe s VAL 193 N -0.47 0.12 0.34 3.82 -7.23 -0.08 -3.14 120.40 113.76 3cfe s VAL 193 Ca 0.07 -0.96 -0.28 0.00 -1.81 0.00 0.00 61.98 59.00 3cfe s VAL 193 Cb -0.07 -0.63 -0.12 0.00 0.56 0.00 0.00 36.38 36.11 3cfe s VAL 193 CO -0.01 -0.53 1.23 -2.65 -0.31 0.00 0.00 175.10 172.83 3cfe n PRO 194 N 1.14 1.96 0.19 4.82 -0.02 -1.26 -0.32 135.00 141.51 3cfe n PRO 194 Ca -0.21 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3cfe n PRO 194 Cb 0.57 -2.23 0.55 0.00 -0.02 0.00 0.00 33.50 32.36 3cfe n PRO 194 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cfe h SER 195 N 2.40 0.00 1.04 2.55 4.64 -1.78 -1.11 113.55 121.29 3cfe h SER 195 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3cfe h SER 195 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3cfe h SER 195 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3cfe n SER 196 N -2.62 0.30 -0.14 4.97 3.41 -1.26 -3.64 113.62 114.64 3cfe n SER 196 Ca 0.02 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3cfe n SER 196 Cb 0.29 -0.61 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 3cfe n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3cfe n THR 198 N -1.79 0.00 -3.80 6.66 -2.24 -0.42 -4.75 114.28 107.94 3cfe n THR 198 Ca 0.06 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3cfe n THR 198 Cb 0.33 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 69.10 3cfe n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3cfe s TRP 199 N -2.81 -0.11 -2.07 4.78 -0.00 -1.24 0.16 118.94 117.65 3cfe s TRP 199 Ca 0.14 0.31 0.15 0.00 -0.00 0.00 0.00 56.10 56.71 3cfe s TRP 199 Cb 0.18 -0.03 0.74 0.00 -0.00 0.00 0.00 33.47 34.35 3cfe s TRP 199 CO 0.69 -0.09 1.50 -0.35 -0.00 0.00 0.00 176.95 178.70 3cfe n PRO 200 N 3.50 1.27 0.00 5.86 -0.05 -1.26 -4.84 135.00 139.48 3cfe n PRO 200 Ca -0.18 -0.41 0.00 0.00 -0.05 0.00 0.00 63.50 62.86 3cfe n PRO 200 Cb 0.56 -1.26 0.00 0.00 -0.05 0.00 0.00 33.50 32.75 3cfe n PRO 200 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3cfe n SER 202 N -0.32 0.00 -4.64 3.54 2.88 -1.24 -4.34 113.62 109.50 3cfe n SER 202 Ca 0.12 0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 58.01 3cfe n SER 202 Cb 0.14 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.30 3cfe n SER 202 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3cfe s GLU 203 N -2.11 4.09 0.30 -1.46 2.02 0.12 -4.99 118.70 116.69 3cfe s GLU 203 Ca 0.00 1.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.80 3cfe s GLU 203 Cb 0.00 -3.72 -0.14 0.00 0.10 0.00 0.00 34.13 30.37 3cfe s GLU 203 CO 0.00 -0.83 0.86 0.25 0.02 0.00 0.00 175.26 175.56 3cfe n THR 204 N 5.73 2.00 -4.54 3.63 -2.24 -1.26 -4.60 114.28 113.00 3cfe n THR 204 Ca 0.11 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.15 3cfe n THR 204 Cb 0.47 -0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 3cfe n THR 204 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cfe s VAL 205 N -1.13 1.06 -0.00 2.28 1.01 -1.26 -4.21 120.40 118.15 3cfe s VAL 205 Ca 0.60 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3cfe s VAL 205 Cb -0.71 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 3cfe s VAL 205 CO 0.59 0.33 0.03 0.28 0.00 0.00 0.00 175.10 176.34 3cfe s THR 206 N 0.59 0.05 0.28 3.92 -1.32 -0.86 -0.83 115.64 117.46 3cfe s THR 206 Ca -0.12 -0.39 0.07 0.00 -1.21 0.00 0.00 61.69 60.04 3cfe s THR 206 Cb -0.15 -0.18 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 3cfe s THR 206 CO 0.03 -0.21 0.20 0.00 -2.21 0.00 0.00 174.62 172.43 3cfe s SER 209 N -3.87 2.17 -0.30 0.00 0.01 0.13 -1.65 113.70 110.19 3cfe s SER 209 Ca 0.35 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3cfe s SER 209 Cb -0.07 -0.85 0.07 0.00 0.21 0.00 0.00 66.02 65.37 3cfe s SER 209 CO 0.25 -0.11 -0.01 -0.69 0.41 0.00 0.00 173.24 173.09 3cfe s VAL 210 N 1.63 2.60 -0.21 3.43 1.01 0.57 -0.84 120.40 128.60 3cfe s VAL 210 Ca 0.04 -1.72 -0.10 0.00 0.00 0.00 0.00 61.98 60.20 3cfe s VAL 210 Cb -0.13 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3cfe s VAL 210 CO -0.08 -0.23 0.14 0.00 0.00 0.00 0.00 175.10 174.94 3cfe s ALA 211 N 1.12 3.66 -0.35 5.51 0.00 0.25 -1.95 121.76 130.01 3cfe s ALA 211 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3cfe s ALA 211 Cb -0.20 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.80 3cfe s ALA 211 CO -0.04 0.04 0.07 -1.58 0.00 0.00 0.00 175.76 174.25 3cfe s HIS 212 N 0.60 3.50 0.13 0.00 2.46 0.25 -1.63 115.29 120.59 3cfe s HIS 212 Ca 0.08 -2.87 -0.16 0.00 0.47 0.00 0.00 55.06 52.58 3cfe s HIS 212 Cb -0.12 -2.78 -0.02 0.00 -0.13 0.00 0.00 32.58 29.53 3cfe s HIS 212 CO 0.00 -0.93 1.63 -1.35 -2.47 0.00 0.00 174.74 171.63 3cfe h PRO 213 N 7.61 0.61 -0.93 2.88 0.11 -1.79 0.18 132.00 140.67 3cfe h PRO 213 Ca -0.05 -0.14 0.23 0.00 0.11 0.00 0.00 66.00 66.14 3cfe h PRO 213 Cb 1.01 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 3cfe h PRO 213 CO 0.52 0.63 0.62 0.00 -0.21 0.00 0.00 178.00 179.56 3cfe h ALA 214 N 0.95 2.35 -0.16 -0.75 0.00 -1.92 2.06 119.26 121.78 3cfe h ALA 214 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3cfe h ALA 214 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3cfe h ALA 214 CO -0.00 -0.65 0.00 0.45 0.00 0.00 0.00 179.25 179.05 3cfe n SER 215 N -4.48 2.98 -3.41 0.00 2.88 -1.19 -4.97 113.62 105.43 3cfe n SER 215 Ca 0.20 -1.94 -0.21 0.00 -1.33 0.00 0.00 58.87 55.58 3cfe n SER 215 Cb 0.79 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 64.16 3cfe n SER 215 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3cfe n SER 216 N 1.26 -3.79 -3.94 -3.46 3.41 0.70 -4.97 113.62 102.83 3cfe n SER 216 Ca 0.16 -0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 3cfe n SER 216 Cb 0.57 -1.23 -0.11 0.00 -0.26 0.00 0.00 64.21 63.18 3cfe n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3cfe s THR 217 N -2.46 0.09 -0.06 6.66 -4.23 0.52 -4.98 115.64 111.18 3cfe s THR 217 Ca 0.06 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.78 3cfe s THR 217 Cb -0.01 -0.29 0.04 0.00 1.34 0.00 0.00 72.50 73.58 3cfe s THR 217 CO 0.69 -0.42 0.11 -0.89 -0.54 0.00 0.00 174.62 173.58 3cfe s THR 218 N -1.29 -0.18 0.19 3.99 2.01 -1.26 0.86 115.64 119.97 3cfe s THR 218 Ca -0.14 0.37 0.10 0.00 0.31 0.00 0.00 61.69 62.33 3cfe s THR 218 Cb -0.08 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 3cfe s THR 218 CO -0.00 0.16 -0.12 0.68 -0.69 0.00 0.00 174.62 174.64 3cfe s VAL 219 N 2.13 3.00 -0.16 3.82 -7.23 -0.82 -4.95 120.40 116.18 3cfe s VAL 219 Ca 0.03 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3cfe s VAL 219 Cb -0.12 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.37 3cfe s VAL 219 CO -0.04 -0.14 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.73 3cfe s ASP 220 N -2.87 2.85 -0.21 4.85 1.01 -1.26 -0.31 116.67 120.72 3cfe s ASP 220 Ca 0.25 -0.66 -0.07 0.00 0.71 0.00 0.00 52.55 52.78 3cfe s ASP 220 Cb -0.08 -0.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 3cfe s ASP 220 CO 0.14 -0.17 0.07 -0.54 0.21 0.00 0.00 175.17 174.89 3cfe s LYS 221 N 1.60 3.83 0.62 8.23 -0.14 -0.66 -4.91 119.74 128.31 3cfe s LYS 221 Ca 0.01 -0.40 -0.15 0.00 -1.36 0.00 0.00 55.97 54.07 3cfe s LYS 221 Cb -0.15 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.70 3cfe s LYS 221 CO -0.08 0.06 1.07 0.15 -0.76 0.00 0.00 175.35 175.79 3cfe s LYS 222 N 0.96 3.12 -0.26 1.68 1.02 -1.26 -0.27 119.74 124.73 3cfe s LYS 222 Ca 0.04 1.22 -0.01 0.00 0.02 0.00 0.00 55.97 57.25 3cfe s LYS 222 Cb -0.14 -2.00 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 3cfe s LYS 222 CO 0.03 -0.97 -0.06 -0.51 -0.92 0.00 0.00 175.35 172.92 3cfe s LEU 223 N -4.73 3.40 0.03 3.17 1.43 -0.01 -4.85 118.68 117.11 3cfe s LEU 223 Ca 0.64 -1.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3cfe s LEU 223 Cb -0.17 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3cfe s LEU 223 CO 0.40 -0.17 0.21 -1.61 0.23 0.00 0.00 176.35 175.41 3cfe s GLU 226 N 1.25 3.46 0.00 1.70 0.41 -1.26 -4.61 118.70 119.65 3cfe s GLU 226 Ca -0.03 -0.33 0.16 0.00 -0.41 0.00 0.00 54.97 54.35 3cfe s GLU 226 Cb -0.18 -3.06 0.95 0.00 -1.78 0.00 0.00 34.13 30.06 3cfe s GLU 226 CO -0.04 0.63 1.36 -0.35 -0.49 0.00 0.00 175.26 176.37