#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 4.81 -0.03 2.62 1.01 -1.26 -4.05 120.40 123.51 3cfe s VAL 2 Ca 0.00 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 3cfe s VAL 2 Cb 0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3cfe s VAL 2 CO 0.00 0.31 0.07 -1.10 0.00 0.00 0.00 175.10 174.38 3cfe s GLN 3 N 0.27 0.08 -0.04 2.72 -0.21 0.95 -4.98 119.66 118.46 3cfe s GLN 3 Ca 0.40 0.09 0.06 0.00 0.02 0.00 0.00 55.36 55.94 3cfe s GLN 3 Cb -0.20 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 3cfe s GLN 3 CO 0.23 -0.01 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.65 3cfe s LEU 4 N 0.03 2.03 -0.04 2.90 1.02 -1.26 0.36 118.68 123.71 3cfe s LEU 4 Ca -0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 3cfe s LEU 4 Cb -0.01 -1.23 0.02 0.00 0.02 0.00 0.00 46.19 45.00 3cfe s LEU 4 CO 0.00 0.24 0.10 0.00 0.02 0.00 0.00 176.35 176.72 3cfe s GLN 5 N -0.27 0.08 0.25 1.70 -2.07 -0.82 -4.15 119.66 114.39 3cfe s GLN 5 Ca 0.01 0.23 0.04 0.00 -1.82 0.00 0.00 55.36 53.82 3cfe s GLN 5 Cb -0.12 -0.08 -0.03 0.00 -1.09 0.00 0.00 33.01 31.70 3cfe s GLN 5 CO 0.02 -0.09 0.39 -1.83 -1.32 0.00 0.00 175.29 172.45 3cfe s GLU 6 N 0.61 3.45 -0.09 9.60 1.03 -1.26 -0.79 118.70 131.26 3cfe s GLU 6 Ca -0.05 -0.67 -0.30 0.00 0.03 0.00 0.00 54.97 53.99 3cfe s GLU 6 Cb -0.06 -2.86 0.12 0.00 -0.80 0.00 0.00 34.13 30.52 3cfe s GLU 6 CO -0.03 0.39 0.96 -1.54 -1.33 0.00 0.00 175.26 173.71 3cfe s SER 7 N -3.91 -0.35 0.00 0.83 1.04 0.34 -4.90 113.70 106.75 3cfe s SER 7 Ca 0.35 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.95 3cfe s SER 7 Cb -0.09 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3cfe s SER 7 CO 0.30 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3cfe n GLY 8 N 0.18 -1.98 3.76 7.32 0.00 -1.26 -0.55 105.19 112.66 3cfe n GLY 8 Ca -0.09 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.88 4.51 0.05 1.61 0.02 -1.26 -4.94 135.00 133.11 3cfe s PRO 9 Ca 0.00 2.00 0.25 0.00 0.02 0.00 0.00 61.00 63.27 3cfe s PRO 9 Cb 0.00 -3.14 0.60 0.00 0.02 0.00 0.00 34.50 31.98 3cfe s PRO 9 CO 0.00 0.02 1.50 0.41 -0.33 0.00 0.00 177.00 178.60 3cfe n GLY 10 N 1.06 -1.38 3.09 0.52 0.00 -1.26 -4.81 105.19 102.41 3cfe n GLY 10 Ca -0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.51 1.92 -0.15 0.99 2.96 -1.26 0.24 118.68 119.87 3cfe s LEU 11 Ca 0.10 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 3cfe s LEU 11 Cb 0.16 -0.76 0.05 0.00 0.50 0.00 0.00 46.19 46.14 3cfe s LEU 11 CO 0.67 0.13 0.36 -0.69 -1.32 0.00 0.00 176.35 175.51 3cfe s VAL 12 N -0.05 -0.02 0.18 1.68 1.01 0.20 -4.92 120.40 118.47 3cfe s VAL 12 Ca -0.00 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3cfe s VAL 12 Cb -0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.68 3cfe s VAL 12 CO 0.01 0.03 0.84 -0.54 0.00 0.00 0.00 175.10 175.43 3cfe s LYS 13 N 0.88 4.66 0.32 2.72 1.02 -1.26 -2.34 119.74 125.75 3cfe s LYS 13 Ca -0.06 1.27 -0.27 0.00 0.02 0.00 0.00 55.97 56.94 3cfe s LYS 13 Cb -0.06 -3.28 -0.14 0.00 -0.52 0.00 0.00 37.83 33.83 3cfe s LYS 13 CO -0.07 0.51 0.91 -2.30 -0.92 0.00 0.00 175.35 173.48 3cfe n PRO 14 N 1.72 1.13 0.00 -1.68 -0.02 -1.26 -1.85 135.00 133.04 3cfe n PRO 14 Ca -0.04 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3cfe n PRO 14 Cb 0.48 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.19 0.00 -4.88 2.55 2.88 0.13 -4.91 113.62 110.58 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 0.33 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.44 2.11 0.18 -1.46 -0.21 -0.77 -4.04 119.66 115.02 3cfe s GLN 16 Ca 0.00 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.06 3cfe s GLN 16 Cb 0.00 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 3cfe s GLN 16 CO 0.00 -1.28 0.34 -1.54 -2.12 0.00 0.00 175.29 170.68 3cfe s SER 17 N -4.54 6.36 -0.16 5.90 1.04 -1.26 -1.75 113.70 119.28 3cfe s SER 17 Ca 0.61 0.26 -0.01 0.00 0.48 0.00 0.00 55.95 57.30 3cfe s SER 17 Cb -0.10 -1.95 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 3cfe s SER 17 CO 0.45 -0.00 -0.13 -0.22 0.98 0.00 0.00 173.24 174.32 3cfe s LEU 18 N -3.34 2.61 -0.14 2.42 0.20 -0.61 -4.95 118.68 114.87 3cfe s LEU 18 Ca 0.36 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.79 3cfe s LEU 18 Cb -0.11 -1.61 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 3cfe s LEU 18 CO 0.29 0.09 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.79 3cfe s SER 19 N 0.82 3.23 0.17 3.68 0.01 -1.26 -1.67 113.70 118.69 3cfe s SER 19 Ca -0.04 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 56.72 3cfe s SER 19 Cb -0.15 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 3cfe s SER 19 CO 0.00 0.10 -0.14 -0.76 0.41 0.00 0.00 173.24 172.85 3cfe s LEU 20 N 0.72 2.50 -0.03 2.44 1.43 -0.85 -4.24 118.68 120.64 3cfe s LEU 20 Ca -0.09 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.12 3cfe s LEU 20 Cb -0.16 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 3cfe s LEU 20 CO 0.01 -0.17 -0.20 -0.89 0.23 0.00 0.00 176.35 175.33 3cfe s THR 21 N -2.68 1.61 -0.11 5.49 2.01 0.29 -1.85 115.64 120.40 3cfe s THR 21 Ca 0.17 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 3cfe s THR 21 Cb -0.02 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3cfe s THR 21 CO 0.05 0.46 0.04 0.00 -0.69 0.00 0.00 174.62 174.47 3cfe s THR 23 N -0.74 2.82 0.02 0.00 2.01 0.03 -2.19 115.64 117.60 3cfe s THR 23 Ca 0.12 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 3cfe s THR 23 Cb -0.12 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 3cfe s THR 23 CO 0.02 0.15 0.43 -0.69 -0.69 0.00 0.00 174.62 173.85 3cfe s VAL 24 N 1.30 4.99 -0.00 3.82 1.01 -1.10 -1.94 120.40 128.49 3cfe s VAL 24 Ca -0.01 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 3cfe s VAL 24 Cb -0.17 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3cfe s VAL 24 CO -0.04 0.55 0.05 0.42 0.00 0.00 0.00 175.10 176.08 3cfe s THR 25 N -1.11 0.06 0.00 3.92 -4.23 0.16 -4.81 115.64 109.63 3cfe s THR 25 Ca 0.25 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3cfe s THR 25 Cb -0.17 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.43 3cfe s THR 25 CO 0.14 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3cfe n GLY 26 N 2.14 0.68 3.64 3.99 0.00 -1.26 -0.03 105.19 114.35 3cfe n GLY 26 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 -0.56 0.19 1.61 5.04 -1.26 -4.58 117.35 115.13 3cfe s TYR 27 Ca 0.00 1.24 -0.30 0.00 -2.44 0.00 0.00 57.07 55.57 3cfe s TYR 27 Cb 0.00 0.37 -0.08 0.00 0.35 0.00 0.00 41.96 42.61 3cfe s TYR 27 CO 0.00 -0.28 0.94 0.45 -1.34 0.00 0.00 175.55 175.33 3cfe s SER 28 N 0.79 7.59 0.00 4.32 0.15 -1.26 -4.92 113.70 120.37 3cfe s SER 28 Ca -0.03 1.89 0.28 0.00 0.70 0.00 0.00 55.95 58.79 3cfe s SER 28 Cb -0.04 -2.60 1.63 0.00 -1.71 0.00 0.00 66.02 63.30 3cfe s SER 28 CO -0.11 0.08 1.99 2.30 1.20 0.00 0.00 173.24 178.71 3cfe n ILE 29 N 1.93 0.01 -0.02 6.45 -5.35 -1.26 -2.82 119.36 118.30 3cfe n ILE 29 Ca -0.01 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.55 3cfe n ILE 29 Cb 0.48 -0.57 -0.17 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.02 0.25 0.15 7.28 -1.04 -1.26 -4.09 114.28 114.54 3cfe n THR 30 Ca 0.20 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.05 61.51 3cfe n THR 30 Cb 0.10 -0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 68.45 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 -0.32 -5.13 8.00 0.02 -1.81 -3.43 113.55 110.88 3cfe h SER 31 Ca -0.10 -0.15 0.22 0.00 -0.84 0.00 0.00 61.79 60.92 3cfe h SER 31 Cb 1.22 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.71 3cfe h SER 31 CO 0.01 -0.02 0.65 -0.62 -1.14 0.00 0.00 176.83 175.71 3cfe s ASP 32 N -5.06 -0.17 0.00 3.07 -1.08 -1.26 -5.01 116.67 107.16 3cfe s ASP 32 Ca -0.15 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 3cfe s ASP 32 Cb 0.03 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.80 3cfe s ASP 32 CO 0.59 -0.55 0.00 -1.22 0.52 0.00 0.00 175.17 174.51 3cfe n TYR 33 N -0.36 0.00 -4.37 -5.34 4.01 -1.26 -4.63 117.16 105.20 3cfe n TYR 33 Ca -0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.41 3cfe n TYR 33 Cb 0.61 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.82 2.73 -0.07 -0.72 0.00 0.55 -1.49 121.76 120.95 3cfe s ALA 34 Ca 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.39 3cfe s ALA 34 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3cfe s ALA 34 CO 0.00 0.43 -0.10 -1.58 0.00 0.00 0.00 175.76 174.51 3cfe s TRP 35 N -1.76 1.28 0.12 0.00 0.52 -0.72 0.25 118.94 118.64 3cfe s TRP 35 Ca 0.23 -0.48 0.07 0.00 0.02 0.00 0.00 56.10 55.95 3cfe s TRP 35 Cb -0.08 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.21 3cfe s TRP 35 CO 0.13 -0.29 -0.18 -0.80 0.02 0.00 0.00 176.95 175.83 3cfe s ASN 35 N 0.88 2.36 -0.11 2.95 0.01 0.90 -0.24 114.94 121.69 3cfe s ASN 35 Ca -0.11 -0.74 0.01 0.00 -0.71 0.00 0.00 52.86 51.31 3cfe s ASN 35 Cb -0.15 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.38 3cfe s ASN 35 CO 0.01 -0.02 -0.14 0.26 -1.51 0.00 0.00 177.10 175.70 3cfe s TRP 36 N -1.58 2.77 0.23 2.20 0.52 0.16 -1.97 118.94 121.27 3cfe s TRP 36 Ca 0.08 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.64 3cfe s TRP 36 Cb -0.08 -1.79 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 3cfe s TRP 36 CO 0.04 -0.15 0.07 -0.51 0.02 0.00 0.00 176.95 176.42 3cfe s LEU 37 N 0.14 1.75 0.10 2.99 1.02 0.71 -0.21 118.68 125.17 3cfe s LEU 37 Ca -0.07 -1.32 -0.15 0.00 0.02 0.00 0.00 54.13 52.61 3cfe s LEU 37 Cb -0.15 0.03 0.03 0.00 0.02 0.00 0.00 46.19 46.11 3cfe s LEU 37 CO 0.05 -0.69 0.35 0.00 0.02 0.00 0.00 176.35 176.08 3cfe s ARG 38 N -4.01 0.97 -0.13 1.70 1.70 -0.30 0.05 118.95 118.93 3cfe s ARG 38 Ca 0.33 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 3cfe s ARG 38 Cb 0.07 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 3cfe s ARG 38 CO 0.10 -0.35 -0.11 -1.14 -1.08 0.00 0.00 175.30 172.72 3cfe s GLN 39 N -3.45 1.95 0.29 3.89 0.74 -0.22 -0.51 119.66 122.34 3cfe s GLN 39 Ca 0.01 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.02 3cfe s GLN 39 Cb 0.02 -1.85 -0.03 0.00 1.10 0.00 0.00 33.01 32.25 3cfe s GLN 39 CO -0.09 -0.22 0.45 -0.51 -0.55 0.00 0.00 175.29 174.37 3cfe s LEU 40 N 1.51 4.16 0.26 3.68 1.43 -0.91 -1.39 118.68 127.43 3cfe s LEU 40 Ca 0.03 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 3cfe s LEU 40 Cb -0.13 -3.12 -0.14 0.00 0.03 0.00 0.00 46.19 42.83 3cfe s LEU 40 CO -0.08 -0.17 0.25 -2.65 0.23 0.00 0.00 176.35 173.93 3cfe n PRO 41 N -1.49 0.00 -0.93 1.29 -0.02 -1.26 -1.67 135.00 130.92 3cfe n PRO 41 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3cfe n PRO 41 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 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 1.88 0.51 2.53 -1.23 0.00 -1.26 -4.06 105.19 103.57 3cfe n GLY 42 Ca 0.13 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 0.38 -5.23 -4.57 1.61 5.03 -0.67 -4.94 115.26 106.87 3cfe n ASN 43 Ca 0.00 0.44 -0.43 0.00 0.87 0.00 0.00 54.58 55.46 3cfe n ASN 43 Cb 0.00 -4.35 -0.04 0.00 -1.02 0.00 0.00 39.78 34.37 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 -3.61 3.56 -0.23 3.52 1.02 -1.12 -4.83 119.74 118.05 3cfe s LYS 44 Ca 0.00 0.22 -0.18 0.00 0.02 0.00 0.00 55.97 56.04 3cfe s LYS 44 Cb 0.00 -3.93 -0.03 0.00 -0.52 0.00 0.00 37.83 33.35 3cfe s LYS 44 CO 0.00 -1.27 0.49 -1.17 -0.92 0.00 0.00 175.35 172.48 3cfe s LEU 45 N 3.90 4.10 -0.09 3.17 2.96 -1.26 -2.14 118.68 129.32 3cfe s LEU 45 Ca 0.39 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 3cfe s LEU 45 Cb -0.10 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 43.97 3cfe s LEU 45 CO 0.27 -0.21 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.28 3cfe s GLU 46 N 1.90 1.79 0.26 1.98 2.12 0.33 -4.99 118.70 122.08 3cfe s GLU 46 Ca 0.21 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 3cfe s GLU 46 Cb -0.15 -1.57 -0.09 0.00 0.26 0.00 0.00 34.13 32.58 3cfe s GLU 46 CO 0.09 -0.06 0.96 -0.46 -0.54 0.00 0.00 175.26 175.25 3cfe s TRP 47 N 0.99 3.90 -0.14 5.30 -0.00 -1.26 -1.15 118.94 126.57 3cfe s TRP 47 Ca -0.08 1.88 -0.02 0.00 -0.00 0.00 0.00 56.10 57.88 3cfe s TRP 47 Cb -0.15 -3.01 -0.08 0.00 -0.00 0.00 0.00 33.47 30.23 3cfe s TRP 47 CO -0.00 0.30 -0.15 -1.33 -0.00 0.00 0.00 176.95 175.77 3cfe n MET 48 N 1.33 0.33 0.00 5.86 2.81 0.70 -4.61 117.12 123.55 3cfe n MET 48 Ca -0.01 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3cfe n MET 48 Cb 0.47 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 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 2.57 -0.34 3.30 3.03 0.00 -1.00 -1.57 105.19 111.18 3cfe n GLY 49 Ca -0.26 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 1.19 -0.05 1.61 -0.85 -0.60 -0.66 117.35 115.99 3cfe s TYR 50 Ca 0.00 -1.35 -0.01 0.00 -0.52 0.00 0.00 57.07 55.19 3cfe s TYR 50 Cb 0.00 -0.45 0.03 0.00 0.38 0.00 0.00 41.96 41.92 3cfe s TYR 50 CO 0.00 -0.79 0.01 -1.50 -1.52 0.00 0.00 175.55 171.75 3cfe s ILE 51 N -3.87 0.22 1.02 -3.49 2.07 0.67 -2.71 121.20 115.11 3cfe s ILE 51 Ca 0.36 0.15 -0.14 0.00 -1.41 0.00 0.00 60.65 59.61 3cfe s ILE 51 Cb 0.04 -0.37 0.20 0.00 0.13 0.00 0.00 42.46 42.46 3cfe s ILE 51 CO 0.16 0.20 1.13 -0.94 -1.91 0.00 0.00 174.94 173.58 3cfe s SER 52 N 1.61 2.47 0.56 4.50 1.04 0.58 -1.75 113.70 122.71 3cfe s SER 52 Ca -0.01 0.88 0.32 0.00 0.48 0.00 0.00 55.95 57.62 3cfe s SER 52 Cb -0.13 -1.36 1.67 0.00 0.10 0.00 0.00 66.02 66.31 3cfe s SER 52 CO -0.03 -3.19 2.14 0.10 0.98 0.00 0.00 173.24 173.24 3cfe h TYR 53 N -1.94 0.00 -0.09 5.02 -0.00 -1.41 -2.58 116.97 115.97 3cfe h TYR 53 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.23 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 -0.45 0.07 0.00 -1.13 -0.00 0.00 0.00 178.16 176.65 3cfe n SER 54 N -3.49 2.37 0.00 0.10 3.41 -1.26 -4.50 113.62 110.25 3cfe n SER 54 Ca -0.02 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3cfe n SER 54 Cb 0.20 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.28 0.69 3.76 5.00 0.00 -0.97 -5.06 105.19 109.90 3cfe n GLY 55 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.29 4.58 0.02 1.61 0.52 -1.26 -4.70 118.95 119.43 3cfe s ARG 56 Ca 0.00 1.89 0.06 0.00 -0.52 0.00 0.00 55.73 57.16 3cfe s ARG 56 Cb 0.00 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3cfe s ARG 56 CO 0.00 0.12 -0.18 0.42 0.02 0.00 0.00 175.30 175.68 3cfe s ILE 57 N -1.10 1.45 -0.12 1.52 1.01 -1.26 -0.31 121.20 122.39 3cfe s ILE 57 Ca 0.46 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 3cfe s ILE 57 Cb -0.33 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 40.93 3cfe s ILE 57 CO 0.43 0.24 0.31 -0.13 0.00 0.00 0.00 174.94 175.79 3cfe s ARG 58 N -0.88 0.33 0.24 2.79 1.81 -1.10 -5.00 118.95 117.14 3cfe s ARG 58 Ca 0.06 0.51 0.12 0.00 -1.72 0.00 0.00 55.73 54.70 3cfe s ARG 58 Cb -0.08 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.44 3cfe s ARG 58 CO 0.01 -0.09 -0.22 0.71 -0.68 0.00 0.00 175.30 175.03 3cfe s TYR 59 N 0.63 2.27 0.01 -0.53 2.02 -1.26 -1.55 117.35 118.93 3cfe s TYR 59 Ca -0.04 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3cfe s TYR 59 Cb -0.05 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.41 3cfe s TYR 59 CO -0.04 0.61 1.26 1.21 -1.57 0.00 0.00 175.55 177.01 3cfe s ASN 60 N -3.12 7.00 0.26 2.29 3.84 -0.61 -4.92 114.94 119.69 3cfe s ASN 60 Ca 0.25 1.98 -0.02 0.00 0.21 0.00 0.00 52.86 55.28 3cfe s ASN 60 Cb -0.06 -2.57 0.47 0.00 -0.55 0.00 0.00 41.25 38.54 3cfe s ASN 60 CO 0.12 -0.58 1.79 -0.65 -2.79 0.00 0.00 177.10 175.00 3cfe h PRO 61 N 7.28 0.72 -0.55 0.43 0.11 -1.94 0.42 132.00 138.47 3cfe h PRO 61 Ca -0.38 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.85 3cfe h PRO 61 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3cfe h PRO 61 CO 0.86 0.48 0.64 0.66 -0.21 0.00 0.00 178.00 180.43 3cfe h SER 62 N 0.74 0.00 -0.00 -2.05 4.64 -1.98 -2.65 113.55 112.25 3cfe h SER 62 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3cfe h SER 62 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3cfe h SER 62 CO -0.29 0.00 -0.03 0.18 -0.87 0.00 0.00 176.83 175.82 3cfe n LEU 63 N -3.54 1.01 0.08 5.97 4.77 0.14 -4.81 117.00 120.62 3cfe n LEU 63 Ca 0.11 -0.89 0.11 0.00 -0.03 0.00 0.00 56.01 55.31 3cfe n LEU 63 Cb 0.85 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 42.38 3cfe n LEU 63 CO 0.26 0.23 0.84 2.29 -1.33 0.00 0.00 177.39 179.67 3cfe n LYS 64 N -0.10 0.13 0.17 3.23 2.85 -0.79 -1.58 118.16 122.07 3cfe n LYS 64 Ca 0.02 0.30 0.03 0.00 -1.05 0.00 0.00 58.31 57.61 3cfe n LYS 64 Cb 0.07 -1.72 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 -3.38 114.38 110.63 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 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3cfe h ARG 65 CO 0.00 0.44 0.00 0.54 -1.07 0.00 0.00 179.97 179.88 3cfe n ARG 66 N -3.66 0.86 -4.41 0.04 1.74 -0.61 -5.02 116.66 105.59 3cfe n ARG 66 Ca -0.01 -0.89 -0.30 0.00 -0.77 0.00 0.00 57.85 55.88 3cfe n ARG 66 Cb 0.52 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 30.92 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 -0.43 3.12 -0.15 0.55 2.07 -1.06 -0.08 121.20 125.22 3cfe s ILE 67 Ca 0.00 -1.23 -0.06 0.00 -1.41 0.00 0.00 60.65 57.96 3cfe s ILE 67 Cb 0.00 -2.40 0.07 0.00 0.13 0.00 0.00 42.46 40.27 3cfe s ILE 67 CO 0.00 0.22 0.32 -0.55 -1.91 0.00 0.00 174.94 173.02 3cfe s SER 68 N -1.85 0.11 -0.14 4.50 0.15 0.32 -4.96 113.70 111.82 3cfe s SER 68 Ca 0.18 0.74 -0.04 0.00 0.70 0.00 0.00 55.95 57.53 3cfe s SER 68 Cb -0.11 0.93 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 3cfe s SER 68 CO 0.10 -0.23 -0.01 -0.63 1.20 0.00 0.00 173.24 173.66 3cfe s ILE 69 N 2.45 4.19 0.33 6.45 1.01 -1.26 -0.89 121.20 133.48 3cfe s ILE 69 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3cfe s ILE 69 Cb -0.12 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3cfe s ILE 69 CO -0.10 0.52 0.13 0.42 0.00 0.00 0.00 174.94 175.91 3cfe s THR 70 N 0.00 0.58 0.10 2.92 -4.23 -1.07 -5.01 115.64 108.92 3cfe s THR 70 Ca 0.02 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.50 3cfe s THR 70 Cb -0.13 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 3cfe s THR 70 CO 0.02 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.18 3cfe s ARG 71 N -3.82 0.82 -0.30 3.99 1.70 -1.26 -1.66 118.95 118.40 3cfe s ARG 71 Ca 0.33 -1.24 -0.02 0.00 -0.47 0.00 0.00 55.73 54.33 3cfe s ARG 71 Cb 0.05 0.26 0.10 0.00 -0.57 0.00 0.00 34.95 34.80 3cfe s ARG 71 CO 0.16 -0.22 0.13 0.34 -1.08 0.00 0.00 175.30 174.62 3cfe s ASP 72 N -2.95 3.67 0.00 -2.89 -1.08 0.77 -4.98 116.67 109.20 3cfe s ASP 72 Ca 0.13 -1.50 0.26 0.00 -0.52 0.00 0.00 52.55 50.92 3cfe s ASP 72 Cb 0.07 -0.54 1.11 0.00 -1.46 0.00 0.00 42.92 42.10 3cfe s ASP 72 CO -0.05 -0.42 1.83 0.35 0.52 0.00 0.00 175.17 177.39 3cfe n THR 73 N 4.99 0.23 -0.03 1.71 -2.24 -1.26 -0.75 114.28 116.92 3cfe n THR 73 Ca -0.03 0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3cfe n THR 73 Cb 0.41 -0.62 -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 0.21 0.22 3.42 0.87 -1.94 -3.21 113.55 113.12 3cfe h SER 74 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 3cfe h SER 74 Cb 0.43 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3cfe h SER 74 CO 0.00 0.72 -0.27 0.29 -0.53 0.00 0.00 176.83 177.03 3cfe n LYS 75 N -4.65 0.85 -3.50 2.24 5.02 -1.07 -4.97 118.16 112.07 3cfe n LYS 75 Ca -0.08 -0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 55.51 3cfe n LYS 75 Cb 0.35 -1.49 0.07 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 -0.62 -1.87 -4.28 4.39 5.15 0.07 -4.86 115.26 113.23 3cfe n ASN 76 Ca 0.12 -0.68 -0.22 0.00 -0.60 0.00 0.00 54.58 53.20 3cfe n ASN 76 Cb 0.35 -4.82 -0.12 0.00 -0.53 0.00 0.00 39.78 34.67 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 -5.52 1.12 0.15 1.20 -0.21 -0.59 -2.71 119.66 113.10 3cfe s GLN 77 Ca 0.01 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.21 3cfe s GLN 77 Cb -0.00 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.75 3cfe s GLN 77 CO 0.75 0.26 -0.12 -0.59 -2.12 0.00 0.00 175.29 173.48 3cfe s PHE 78 N -1.65 1.34 0.05 0.91 -0.71 -0.93 -0.16 117.98 116.83 3cfe s PHE 78 Ca 0.09 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.33 3cfe s PHE 78 Cb -0.08 -0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 41.03 3cfe s PHE 78 CO 0.05 0.13 -0.10 -0.06 -1.34 0.00 0.00 175.22 173.90 3cfe s PHE 79 N -2.95 0.83 0.06 3.49 0.08 -0.67 -0.23 117.98 118.59 3cfe s PHE 79 Ca 0.15 -0.46 0.09 0.00 0.12 0.00 0.00 56.93 56.82 3cfe s PHE 79 Cb 0.00 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.93 3cfe s PHE 79 CO 0.02 -0.04 -0.23 -1.17 -0.10 0.00 0.00 175.22 173.70 3cfe s LEU 80 N -1.54 2.38 -0.07 -0.37 2.96 -0.77 -2.59 118.68 118.69 3cfe s LEU 80 Ca -0.07 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3cfe s LEU 80 Cb -0.10 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.26 3cfe s LEU 80 CO 0.01 0.24 0.13 -1.58 -1.32 0.00 0.00 176.35 173.83 3cfe s GLN 81 N -1.49 0.01 -0.26 1.98 0.74 -0.07 -2.00 119.66 118.57 3cfe s GLN 81 Ca 0.13 0.48 0.03 0.00 0.05 0.00 0.00 55.36 56.05 3cfe s GLN 81 Cb -0.10 -0.31 0.06 0.00 1.10 0.00 0.00 33.01 33.75 3cfe s GLN 81 CO 0.04 -0.29 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.22 3cfe s LEU 82 N 2.06 3.38 0.75 3.68 2.96 -0.67 -0.53 118.68 130.31 3cfe s LEU 82 Ca 0.01 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.42 3cfe s LEU 82 Cb -0.12 -1.52 0.04 0.00 0.50 0.00 0.00 46.19 45.09 3cfe s LEU 82 CO -0.05 -0.20 1.13 0.20 -1.32 0.00 0.00 176.35 176.11 3cfe s ASN 82 N 1.12 5.06 -1.33 3.68 0.01 0.88 -1.58 114.94 122.79 3cfe s ASN 82 Ca -0.09 1.00 -0.05 0.00 -0.71 0.00 0.00 52.86 53.02 3cfe s ASN 82 Cb -0.20 -1.68 -0.00 0.00 0.41 0.00 0.00 41.25 39.78 3cfe s ASN 82 CO -0.05 -1.57 0.55 -1.20 -1.51 0.00 0.00 177.10 173.32 3cfe n SER 82 N -3.14 -1.54 -4.74 -1.22 7.64 -1.23 -4.88 113.62 104.51 3cfe n SER 82 Ca 0.07 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 3cfe n SER 82 Cb 0.59 -3.32 -0.03 0.00 -1.01 0.00 0.00 64.21 60.43 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 -3.80 3.46 0.30 0.44 -7.23 -0.72 -4.62 120.40 108.24 3cfe s VAL 82 Ca 0.10 1.29 0.03 0.00 -1.81 0.00 0.00 61.98 61.59 3cfe s VAL 82 Cb -0.04 -3.82 0.03 0.00 0.56 0.00 0.00 36.38 33.11 3cfe s VAL 82 CO 0.87 0.24 0.24 0.35 -0.31 0.00 0.00 175.10 176.48 3cfe n THR 83 N 2.08 0.00 0.17 5.32 -2.24 -1.26 0.18 114.28 118.53 3cfe n THR 83 Ca 0.03 -1.18 0.02 0.00 -2.27 0.00 0.00 64.05 60.64 3cfe n THR 83 Cb 0.44 -0.28 0.28 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.55 1.25 -0.33 4.28 1.35 -1.97 -1.60 112.91 116.45 3cfe h THR 84 Ca -0.19 -1.71 0.10 0.00 -0.55 0.00 0.00 66.41 64.06 3cfe h THR 84 Cb 0.69 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 3cfe h THR 84 CO 0.29 0.47 0.48 -0.33 -0.25 0.00 0.00 175.52 176.18 3cfe h GLU 85 N 0.00 0.00 -0.03 4.72 5.08 -1.95 -0.50 114.58 121.89 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 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3cfe h GLU 85 CO 0.06 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.82 3cfe n ASP 86 N -3.43 0.45 -4.66 1.42 8.00 -0.60 -4.79 116.55 112.94 3cfe n ASP 86 Ca 0.06 -1.40 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 3cfe n ASP 86 Cb 0.62 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.96 3.69 0.20 -3.53 2.01 -0.20 -4.84 115.64 111.02 3cfe s THR 87 Ca 0.34 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 3cfe s THR 87 Cb 0.16 -3.55 0.07 0.00 0.01 0.00 0.00 72.50 69.18 3cfe s THR 87 CO 0.26 -0.09 0.97 0.00 -0.69 0.00 0.00 174.62 175.07 3cfe s ALA 88 N 4.09 -1.50 -0.22 7.40 0.00 -0.98 -4.43 121.76 126.11 3cfe s ALA 88 Ca 0.71 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 3cfe s ALA 88 Cb -0.31 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3cfe s ALA 88 CO 0.27 -1.05 0.29 0.99 0.00 0.00 0.00 175.76 176.27 3cfe s THR 89 N -2.66 5.27 -0.07 0.00 2.01 -0.48 -1.53 115.64 118.19 3cfe s THR 89 Ca 0.17 0.46 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 3cfe s THR 89 Cb -0.03 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3cfe s THR 89 CO 0.05 0.29 0.18 -0.31 -0.69 0.00 0.00 174.62 174.14 3cfe s TYR 90 N 1.26 3.59 -0.06 4.92 1.51 0.22 -1.06 117.35 127.73 3cfe s TYR 90 Ca 0.14 0.51 0.01 0.00 -1.01 0.00 0.00 57.07 56.72 3cfe s TYR 90 Cb -0.14 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 3cfe s TYR 90 CO 0.07 0.69 -0.07 0.71 -1.11 0.00 0.00 175.55 175.84 3cfe s TYR 91 N -1.15 1.04 0.13 2.71 2.02 0.11 -0.34 117.35 121.86 3cfe s TYR 91 Ca 0.20 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.50 3cfe s TYR 91 Cb -0.13 -0.86 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 3cfe s TYR 91 CO 0.10 -0.26 0.35 0.00 -1.57 0.00 0.00 175.55 174.17 3cfe s ALA 93 N -1.62 -1.39 -0.08 0.00 0.00 -0.83 -1.22 121.76 116.62 3cfe s ALA 93 Ca 0.40 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 3cfe s ALA 93 Cb -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3cfe s ALA 93 CO 0.25 -0.30 0.26 0.50 0.00 0.00 0.00 175.76 176.46 3cfe s ARG 94 N -0.64 3.74 0.08 0.00 3.52 -0.33 -0.07 118.95 125.25 3cfe s ARG 94 Ca -0.07 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 3cfe s ARG 94 Cb -0.03 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3cfe s ARG 94 CO 0.05 0.67 -0.04 -1.54 -0.81 0.00 0.00 175.30 173.63 3cfe s SER 95 N -0.85 0.81 0.12 -2.12 1.04 0.14 -1.01 113.70 111.83 3cfe s SER 95 Ca 0.18 -1.01 -0.34 0.00 0.48 0.00 0.00 55.95 55.27 3cfe s SER 95 Cb -0.14 0.15 -0.18 0.00 0.10 0.00 0.00 66.02 65.95 3cfe s SER 95 CO 0.08 -0.54 0.90 0.47 0.98 0.00 0.00 173.24 175.13 3cfe n ASP 96 N 0.03 -0.06 -4.44 7.02 8.00 -1.04 -0.33 116.55 125.73 3cfe n ASP 96 Ca -0.13 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.08 3cfe n ASP 96 Cb 0.61 -1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.42 2.75 0.00 1.24 5.04 -1.26 -4.47 117.35 120.24 3cfe s TYR 97 Ca 0.76 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 3cfe s TYR 97 Cb -1.03 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 37.07 3cfe s TYR 97 CO 0.55 -1.55 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 3cfe n GLY 98 N 5.31 0.43 0.59 8.97 0.00 -1.26 -4.96 105.19 114.26 3cfe n GLY 98 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 3.84 0.00 0.19 1.61 0.23 -1.26 -1.34 115.26 118.53 3cfe n ASN 99 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.18 3cfe n ASN 99 Cb 0.00 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.01 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 -5.66 -2.53 0.05 -1.93 -3.47 116.97 103.43 3cfe h TYR 100 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 3cfe h TYR 100 Cb 0.00 0.00 0.16 0.00 1.01 0.00 0.00 36.73 37.90 3cfe h TYR 100 CO 0.00 0.00 -0.84 0.41 -1.05 0.00 0.00 178.16 176.68 3cfe n GLY 100 N 0.96 -1.13 3.40 3.88 0.00 -0.45 -5.02 105.19 106.83 3cfe n GLY 100 Ca 0.04 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.75 2.27 -0.49 1.61 1.70 -1.26 -4.93 118.95 113.11 3cfe s ARG 100 Ca 0.44 -0.83 -0.22 0.00 -0.47 0.00 0.00 55.73 54.65 3cfe s ARG 100 Cb -0.09 -2.20 0.04 0.00 -0.57 0.00 0.00 34.95 32.13 3cfe s ARG 100 CO 0.77 0.59 0.76 0.20 -1.08 0.00 0.00 175.30 176.54 3cfe s GLY 100 N -0.76 1.61 0.07 3.88 0.00 -1.26 -2.51 107.32 108.36 3cfe s GLY 100 Ca 0.11 -1.28 0.23 0.00 0.00 0.00 0.00 44.72 43.78 3cfe s GLY 100 CO 0.00 1.73 0.90 2.09 0.00 0.00 0.00 173.10 177.82 3cfe n ASP 101 N 6.68 0.54 -3.83 1.64 5.68 -0.18 -4.87 116.55 122.22 3cfe n ASP 101 Ca -0.01 -0.07 -0.13 0.00 -0.50 0.00 0.00 54.79 54.09 3cfe n ASP 101 Cb 0.47 0.99 -0.14 0.00 -1.14 0.00 0.00 41.12 41.31 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 -3.30 -0.09 0.06 2.11 2.02 -1.24 -5.02 117.35 111.90 3cfe s TYR 102 Ca 0.00 0.24 0.07 0.00 -0.37 0.00 0.00 57.07 57.01 3cfe s TYR 102 Cb 0.13 -0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 3cfe s TYR 102 CO 0.83 -0.06 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.98 3cfe s TRP 103 N 0.27 1.61 1.15 2.71 0.52 -1.26 -1.18 118.94 122.76 3cfe s TRP 103 Ca -0.02 -0.39 -0.17 0.00 0.02 0.00 0.00 56.10 55.54 3cfe s TRP 103 Cb -0.03 -0.93 0.26 0.00 -1.15 0.00 0.00 33.47 31.62 3cfe s TRP 103 CO -0.01 0.11 1.08 0.20 0.02 0.00 0.00 176.95 178.35 3cfe s GLY 104 N -1.46 1.56 0.00 0.98 0.00 -0.36 -4.66 107.32 103.38 3cfe s GLY 104 Ca 0.05 -0.67 0.28 0.00 0.00 0.00 0.00 44.72 44.38 3cfe s GLY 104 CO 0.02 0.12 1.83 0.61 0.00 0.00 0.00 173.10 175.68 3cfe n GLN 105 N -4.66 0.11 0.00 2.90 10.64 -1.26 -4.85 117.38 120.26 3cfe n GLN 105 Ca 0.09 -0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 3cfe n GLN 105 Cb 0.58 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 1.46 1.68 2.74 2.61 0.00 -1.26 -5.06 105.19 107.36 3cfe n GLY 106 Ca 0.08 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.36 -0.07 -0.02 2.61 -1.32 0.54 -4.92 115.64 110.10 3cfe s THR 107 Ca 0.00 0.28 -0.26 0.00 -1.21 0.00 0.00 61.69 60.50 3cfe s THR 107 Cb 0.00 -0.10 -0.04 0.00 -1.51 0.00 0.00 72.50 70.85 3cfe s THR 107 CO 0.00 0.12 0.81 -0.55 -2.21 0.00 0.00 174.62 172.79 3cfe s SER 108 N 1.39 7.17 -0.03 8.08 0.15 -1.26 0.70 113.70 129.89 3cfe s SER 108 Ca -0.05 1.41 0.04 0.00 0.70 0.00 0.00 55.95 58.04 3cfe s SER 108 Cb -0.13 -2.48 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3cfe s SER 108 CO -0.03 -0.13 -0.14 -0.69 1.20 0.00 0.00 173.24 173.45 3cfe s VAL 109 N 0.67 1.16 -0.06 4.45 1.01 -0.58 -4.51 120.40 122.55 3cfe s VAL 109 Ca 0.43 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3cfe s VAL 109 Cb -0.19 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3cfe s VAL 109 CO 0.23 0.34 -0.20 -0.89 0.00 0.00 0.00 175.10 174.58 3cfe s THR 110 N 0.08 2.49 -0.42 3.92 2.01 0.14 -2.32 115.64 121.54 3cfe s THR 110 Ca -0.03 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 3cfe s THR 110 Cb -0.10 -1.94 0.08 0.00 0.01 0.00 0.00 72.50 70.54 3cfe s THR 110 CO 0.01 0.57 0.26 -0.69 -0.69 0.00 0.00 174.62 174.08 3cfe s VAL 111 N -0.30 4.21 -0.00 3.82 1.01 -1.26 -0.63 120.40 127.25 3cfe s VAL 111 Ca 0.01 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 3cfe s VAL 111 Cb -0.13 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.71 3cfe s VAL 111 CO 0.02 -0.51 0.41 -0.55 0.00 0.00 0.00 175.10 174.48 3cfe s SER 112 N 2.11 -0.31 0.05 3.32 0.15 -0.99 -4.45 113.70 113.59 3cfe s SER 112 Ca 0.03 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.14 3cfe s SER 112 Cb -0.23 0.39 1.00 0.00 -1.71 0.00 0.00 66.02 65.47 3cfe s SER 112 CO 0.02 -0.55 1.80 -1.54 1.20 0.00 0.00 173.24 174.17 3cfe n SER 113 N 0.96 0.28 -4.65 5.45 3.41 -1.26 -4.26 113.62 113.55 3cfe n SER 113 Ca -0.20 0.40 -0.46 0.00 -0.26 0.00 0.00 58.87 58.35 3cfe n SER 113 Cb 0.57 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.58 0.75 -1.77 7.33 0.00 -1.26 -4.95 120.51 119.03 3cfe n ALA 114 Ca 0.06 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 3cfe n ALA 114 Cb 0.36 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.17 4.40 0.32 0.00 1.02 -1.26 -4.98 119.74 119.07 3cfe s LYS 115 Ca 0.71 1.93 -0.29 0.00 0.02 0.00 0.00 55.97 58.34 3cfe s LYS 115 Cb -0.70 -3.01 -0.12 0.00 -0.52 0.00 0.00 37.83 33.49 3cfe s LYS 115 CO 0.48 -0.05 1.50 2.41 -0.92 0.00 0.00 175.35 178.78 3cfe n THR 116 N 0.76 1.45 -3.82 2.17 -1.04 -1.26 -4.78 114.28 107.76 3cfe n THR 116 Ca 0.01 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.52 3cfe n THR 116 Cb 0.44 -1.86 -0.15 0.00 -1.82 0.00 0.00 70.33 66.95 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 -0.50 -0.02 0.61 12.58 2.01 0.41 -4.94 115.64 125.78 3cfe s THR 117 Ca 0.60 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.54 3cfe s THR 117 Cb -0.52 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 3cfe s THR 117 CO 0.55 0.03 1.05 -2.16 -0.69 0.00 0.00 174.62 173.40 3cfe s PRO 118 N 0.44 3.32 0.73 4.92 0.04 -1.26 -2.25 135.00 140.94 3cfe s PRO 118 Ca -0.04 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 3cfe s PRO 118 Cb -0.05 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3cfe s PRO 118 CO -0.01 -0.80 1.09 -1.25 0.04 0.00 0.00 177.00 176.06 3cfe s PRO 119 N -4.38 2.68 -0.14 0.56 0.04 -1.26 -4.44 135.00 128.06 3cfe s PRO 119 Ca 0.61 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 3cfe s PRO 119 Cb -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3cfe s PRO 119 CO 0.42 -1.19 0.08 -1.12 0.04 0.00 0.00 177.00 175.23 3cfe s SER 120 N -4.13 5.87 -0.20 6.66 0.01 -0.34 -4.94 113.70 116.62 3cfe s SER 120 Ca 0.59 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.08 3cfe s SER 120 Cb -0.12 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.20 3cfe s SER 120 CO 0.53 0.30 -0.11 -0.69 0.41 0.00 0.00 173.24 173.68 3cfe s VAL 121 N -0.39 2.84 -0.10 3.43 1.01 -1.26 -0.93 120.40 125.01 3cfe s VAL 121 Ca 0.10 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3cfe s VAL 121 Cb -0.12 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3cfe s VAL 121 CO 0.02 0.48 -0.24 -0.31 0.00 0.00 0.00 175.10 175.04 3cfe s TYR 122 N 1.29 2.53 0.56 5.22 2.02 0.85 -4.93 117.35 124.90 3cfe s TYR 122 Ca 0.04 -1.01 -0.18 0.00 -0.37 0.00 0.00 57.07 55.55 3cfe s TYR 122 Cb -0.14 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 3cfe s TYR 122 CO -0.06 -0.40 1.07 -1.25 -1.57 0.00 0.00 175.55 173.34 3cfe s PRO 123 N 0.30 3.43 -0.36 -1.71 0.04 -1.26 0.22 135.00 135.65 3cfe s PRO 123 Ca -0.18 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.20 3cfe s PRO 123 Cb -0.18 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.43 3cfe s PRO 123 CO 0.08 -0.74 0.13 -0.51 0.04 0.00 0.00 177.00 176.00 3cfe s LEU 124 N -4.13 3.24 0.06 -3.56 1.43 0.47 -4.81 118.68 111.37 3cfe s LEU 124 Ca 0.66 -2.11 0.06 0.00 -1.03 0.00 0.00 54.13 51.71 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 0.31 -0.36 -0.13 0.00 0.23 0.00 0.00 176.35 176.40 3cfe s ALA 125 N 0.99 2.80 0.31 4.21 0.00 -1.26 -2.27 121.76 126.54 3cfe s ALA 125 Ca 0.12 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 3cfe s ALA 125 Cb -0.20 -0.86 -0.13 0.00 0.00 0.00 0.00 23.12 21.93 3cfe s ALA 125 CO -0.13 0.60 1.20 -2.30 0.00 0.00 0.00 175.76 175.14 3cfe n PRO 126 N 1.22 1.85 -1.74 0.00 -0.02 -1.26 -4.92 135.00 130.12 3cfe n PRO 126 Ca -0.15 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3cfe n PRO 126 Cb 0.52 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.05 0.91 0.36 -1.23 0.00 -1.26 -4.87 105.19 100.15 3cfe n GLY 127 Ca 0.07 0.30 0.16 0.00 0.00 0.00 0.00 46.02 46.55 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 0.17 0.00 -7.06 0.00 0.00 -2.03 -3.41 103.07 90.74 3cfe h GLY 129 Ca 0.25 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.10 3cfe h GLY 129 CO -0.04 0.00 1.64 1.34 0.00 0.00 0.00 176.54 179.48 3cfe n ASP 130 N -3.52 2.92 -4.77 0.19 2.03 0.43 -4.92 116.55 108.92 3cfe n ASP 130 Ca -0.00 -2.70 -0.41 0.00 0.52 0.00 0.00 54.79 52.20 3cfe n ASP 130 Cb 0.45 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.35 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 8.22 2.67 0.01 5.18 -4.23 -1.26 -4.86 115.64 121.37 3cfe s THR 133 Ca 0.63 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 3cfe s THR 133 Cb 0.06 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3cfe s THR 133 CO 0.13 0.15 0.00 0.35 -0.54 0.00 0.00 174.62 174.71 3cfe n THR 134 N 0.96 0.00 0.00 3.99 -2.24 -1.26 -5.17 114.28 110.56 3cfe n THR 134 Ca 0.01 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 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 4.88 4.31 0.41 3.38 0.00 -1.26 -5.03 105.19 111.88 3cfe n GLY 135 Ca -0.00 -0.72 0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 0.42 -5.35 1.61 0.87 -2.00 -3.42 113.55 105.69 3cfe h SER 136 Ca 0.00 0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.45 3cfe h SER 136 Cb 0.00 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 3cfe h SER 136 CO 0.00 0.07 -0.02 -0.94 -0.53 0.00 0.00 176.83 175.41 3cfe s SER 137 N -5.22 0.65 -0.01 6.23 1.04 -1.26 -2.84 113.70 112.28 3cfe s SER 137 Ca -0.09 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 54.97 3cfe s SER 137 Cb 0.25 0.74 0.00 0.00 0.10 0.00 0.00 66.02 67.12 3cfe s SER 137 CO 0.80 -1.46 -0.07 -0.69 0.98 0.00 0.00 173.24 172.80 3cfe s VAL 138 N -2.70 0.61 -0.13 5.02 1.01 0.51 -4.67 120.40 120.05 3cfe s VAL 138 Ca 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3cfe s VAL 138 Cb -0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3cfe s VAL 138 CO 0.18 0.19 0.01 -0.89 0.00 0.00 0.00 175.10 174.59 3cfe s THR 139 N 0.06 4.34 0.28 3.92 2.01 -1.26 -0.74 115.64 124.25 3cfe s THR 139 Ca -0.00 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3cfe s THR 139 Cb -0.06 -2.89 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 3cfe s THR 139 CO -0.00 0.53 0.05 -0.44 -0.69 0.00 0.00 174.62 174.07 3cfe s SER 140 N -0.18 1.93 0.30 3.53 0.01 0.12 -4.72 113.70 114.68 3cfe s SER 140 Ca 0.05 -1.33 -0.20 0.00 1.31 0.00 0.00 55.95 55.79 3cfe s SER 140 Cb -0.12 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.14 3cfe s SER 140 CO 0.02 -0.61 0.73 -0.83 0.41 0.00 0.00 173.24 172.96 3cfe s GLY 141 N -3.39 0.04 0.05 3.44 0.00 -0.96 0.28 107.32 106.78 3cfe s GLY 141 Ca 0.35 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.70 3cfe s GLY 141 CO 0.13 -0.16 -0.14 0.00 0.00 0.00 0.00 173.10 172.93 3cfe s LEU 143 N -1.64 2.99 -0.38 0.00 2.96 0.13 -1.88 118.68 120.87 3cfe s LEU 143 Ca 0.17 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3cfe s LEU 143 Cb -0.11 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.91 3cfe s LEU 143 CO 0.08 -0.07 0.20 -0.69 -1.32 0.00 0.00 176.35 174.55 3cfe s VAL 144 N 1.42 4.43 0.11 1.68 1.01 -0.73 -0.10 120.40 128.22 3cfe s VAL 144 Ca 0.04 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3cfe s VAL 144 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3cfe s VAL 144 CO -0.04 -0.26 -0.18 -0.75 0.00 0.00 0.00 175.10 173.87 3cfe s LYS 145 N 1.52 1.08 -0.96 2.72 2.20 -0.10 -0.62 119.74 125.58 3cfe s LYS 145 Ca 0.01 -1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 54.41 3cfe s LYS 145 Cb -0.20 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.94 3cfe s LYS 145 CO 0.06 0.26 0.81 0.41 -0.36 0.00 0.00 175.35 176.53 3cfe n GLY 146 N 0.84 -0.19 3.42 5.54 0.00 0.49 -1.20 105.19 114.09 3cfe n GLY 146 Ca -0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.27 1.99 -0.28 1.61 1.13 -0.94 -4.53 117.35 113.06 3cfe s TYR 147 Ca 0.12 -0.56 -0.21 0.00 -1.41 0.00 0.00 57.07 55.01 3cfe s TYR 147 Cb -0.05 -1.01 0.11 0.00 -1.10 0.00 0.00 41.96 39.91 3cfe s TYR 147 CO 0.57 0.43 0.92 0.12 -2.51 0.00 0.00 175.55 175.08 3cfe s PHE 148 N -2.85 -0.64 0.75 -3.49 5.36 -0.96 -0.31 117.98 115.85 3cfe s PHE 148 Ca 0.28 1.42 -0.06 0.00 -0.96 0.00 0.00 56.93 57.60 3cfe s PHE 148 Cb 0.00 0.38 0.16 0.00 -0.34 0.00 0.00 43.02 43.23 3cfe s PHE 148 CO 0.11 -0.31 1.02 -0.35 -1.46 0.00 0.00 175.22 174.24 3cfe n PRO 149 N 2.99 -0.52 -2.21 10.12 -0.04 -1.26 0.16 135.00 144.24 3cfe n PRO 149 Ca -0.15 -2.19 -0.36 0.00 -0.04 0.00 0.00 63.50 60.76 3cfe n PRO 149 Cb 0.57 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 -5.16 3.41 0.44 0.54 2.12 -1.26 -4.81 118.70 113.98 3cfe s GLU 150 Ca 0.63 1.71 0.02 0.00 0.36 0.00 0.00 54.97 57.69 3cfe s GLU 150 Cb -0.03 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.27 3cfe s GLU 150 CO 0.43 -0.83 0.16 0.43 -0.54 0.00 0.00 175.26 174.92 3cfe n SER 151 N -1.10 2.84 -3.96 -1.70 7.64 -1.26 -5.02 113.62 111.05 3cfe n SER 151 Ca 0.11 -2.72 -0.16 0.00 1.01 0.00 0.00 58.87 57.10 3cfe n SER 151 Cb 0.50 0.14 -0.14 0.00 -1.01 0.00 0.00 64.21 63.69 3cfe n SER 151 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cfe s VAL 152 N -2.41 0.41 -0.17 0.44 1.01 -1.26 -4.60 120.40 113.83 3cfe s VAL 152 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 3cfe s VAL 152 Cb -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 3cfe s VAL 152 CO 0.08 0.10 0.04 -0.89 0.00 0.00 0.00 175.10 174.44 3cfe s THR 153 N -0.15 4.62 -0.21 3.92 2.01 -0.82 -4.98 115.64 120.02 3cfe s THR 153 Ca 0.02 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 3cfe s THR 153 Cb -0.02 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.44 3cfe s THR 153 CO -0.00 0.48 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 3cfe s VAL 154 N 0.28 2.55 0.07 3.82 1.01 -1.26 -0.47 120.40 126.40 3cfe s VAL 154 Ca 0.02 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.15 3cfe s VAL 154 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3cfe s VAL 154 CO 0.01 0.37 -0.25 0.42 0.00 0.00 0.00 175.10 175.65 3cfe s THR 156 N 1.32 2.03 0.03 3.92 -4.23 0.36 -4.94 115.64 114.13 3cfe s THR 156 Ca 0.02 -1.45 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3cfe s THR 156 Cb -0.15 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 3cfe s THR 156 CO -0.08 0.23 -0.12 0.26 -0.54 0.00 0.00 174.62 174.37 3cfe s TRP 157 N -0.89 2.71 0.06 3.99 0.52 -1.26 -0.09 118.94 123.98 3cfe s TRP 157 Ca 0.11 -0.16 0.06 0.00 0.02 0.00 0.00 56.10 56.13 3cfe s TRP 157 Cb -0.10 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 3cfe s TRP 157 CO 0.03 0.32 -0.17 -0.80 0.02 0.00 0.00 176.95 176.36 3cfe s ASN 162 N -1.53 2.00 0.34 2.95 0.01 -0.83 -5.02 114.94 112.86 3cfe s ASN 162 Ca 0.16 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3cfe s ASN 162 Cb -0.11 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.44 3cfe s ASN 162 CO 0.07 0.03 0.00 -1.54 -1.51 0.00 0.00 177.10 174.15 3cfe n SER 163 N 1.53 -2.30 0.00 -1.22 3.41 -1.26 -1.83 113.62 111.95 3cfe n SER 163 Ca -0.19 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3cfe n SER 163 Cb 0.54 2.26 0.00 0.00 -0.26 0.00 0.00 64.21 66.75 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 -0.36 1.49 3.74 5.00 0.00 -1.26 -4.34 105.19 109.46 3cfe n GLY 164 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 6.75 0.00 1.61 1.04 -1.26 -4.96 113.70 116.88 3cfe s SER 165 Ca 0.00 0.89 0.24 0.00 0.48 0.00 0.00 55.95 57.56 3cfe s SER 165 Cb 0.00 -2.30 1.41 0.00 0.10 0.00 0.00 66.02 65.23 3cfe s SER 165 CO 0.00 0.04 1.85 0.18 0.98 0.00 0.00 173.24 176.29 3cfe n LEU 166 N 3.37 0.00 -2.31 2.42 4.77 -1.26 -3.37 117.00 120.62 3cfe n LEU 166 Ca -0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3cfe n LEU 166 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3cfe n LEU 166 CO 0.43 0.00 1.60 -1.54 -1.33 0.00 0.00 177.39 176.55 3cfe n SER 167 N -0.91 6.02 -4.17 -1.43 3.41 -1.26 -4.90 113.62 110.39 3cfe n SER 167 Ca 0.18 -2.94 -0.35 0.00 -0.26 0.00 0.00 58.87 55.50 3cfe n SER 167 Cb 0.08 -1.30 -0.14 0.00 -0.26 0.00 0.00 64.21 62.59 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 0.97 4.91 -0.14 4.04 1.04 -1.22 -4.53 113.70 118.77 3cfe s SER 168 Ca 0.62 -1.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.52 3cfe s SER 168 Cb 0.36 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 3cfe s SER 168 CO -0.14 -0.28 0.60 -0.94 0.98 0.00 0.00 173.24 173.46 3cfe s SER 169 N 1.28 6.76 0.17 7.02 1.04 -1.19 -4.93 113.70 123.86 3cfe s SER 169 Ca -0.04 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.36 3cfe s SER 169 Cb -0.20 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 3cfe s SER 169 CO -0.01 -0.15 0.12 -0.69 0.98 0.00 0.00 173.24 173.49 3cfe s VAL 171 N 1.23 4.35 0.00 5.02 1.01 -1.26 -1.72 120.40 129.04 3cfe s VAL 171 Ca 0.30 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3cfe s VAL 171 Cb -0.16 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3cfe s VAL 171 CO 0.12 -0.13 -0.07 -1.00 0.00 0.00 0.00 175.10 174.03 3cfe s HIS 172 N -1.78 0.63 -0.16 5.22 3.76 -0.53 -4.99 115.29 117.43 3cfe s HIS 172 Ca 0.31 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 3cfe s HIS 172 Cb -0.10 -0.40 0.02 0.00 1.11 0.00 0.00 32.58 33.21 3cfe s HIS 172 CO 0.23 -0.02 -0.21 0.99 -0.85 0.00 0.00 174.74 174.88 3cfe s THR 173 N -0.33 2.03 -0.15 1.30 2.01 -1.26 -1.27 115.64 117.97 3cfe s THR 173 Ca 0.01 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 3cfe s THR 173 Cb -0.04 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 3cfe s THR 173 CO -0.00 0.54 0.29 -0.36 -0.69 0.00 0.00 174.62 174.40 3cfe s PHE 174 N 1.10 3.49 0.52 4.92 0.40 -0.42 -5.03 117.98 122.96 3cfe s PHE 174 Ca -0.00 0.62 -0.22 0.00 -0.60 0.00 0.00 56.93 56.73 3cfe s PHE 174 Cb -0.14 -2.32 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 3cfe s PHE 174 CO -0.08 0.29 1.16 -2.30 0.70 0.00 0.00 175.22 174.99 3cfe n PRO 175 N 3.37 1.43 -1.61 0.24 -0.02 -1.26 -3.91 135.00 133.24 3cfe n PRO 175 Ca -0.12 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3cfe n PRO 175 Cb 0.52 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.34 2.60 -0.00 3.55 0.00 -1.26 -4.81 121.76 120.50 3cfe s ALA 176 Ca 0.70 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 3cfe s ALA 176 Cb -0.46 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 3cfe s ALA 176 CO 0.51 -1.25 0.01 -0.51 0.00 0.00 0.00 175.76 174.53 3cfe s LEU 177 N -5.37 1.99 -0.28 0.00 1.43 -0.06 -4.93 118.68 111.45 3cfe s LEU 177 Ca 0.60 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 3cfe s LEU 177 Cb -0.15 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 3cfe s LEU 177 CO 0.51 -0.10 1.51 -0.76 0.23 0.00 0.00 176.35 177.74 3cfe s LEU 178 N -0.43 3.81 -0.52 1.79 1.43 -1.26 -0.49 118.68 123.01 3cfe s LEU 178 Ca -0.05 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 3cfe s LEU 178 Cb -0.03 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.79 3cfe s LEU 178 CO -0.00 -1.27 0.40 -1.58 0.23 0.00 0.00 176.35 174.13 3cfe s GLN 179 N 4.65 2.62 -0.49 1.70 0.74 0.36 -4.81 119.66 124.43 3cfe s GLN 179 Ca 0.66 -1.86 -0.33 0.00 0.05 0.00 0.00 55.36 53.88 3cfe s GLN 179 Cb -0.21 -3.99 0.05 0.00 1.10 0.00 0.00 33.01 29.96 3cfe s GLN 179 CO 0.28 -1.22 0.66 -1.13 -0.55 0.00 0.00 175.29 173.33 3cfe n SER 180 N 4.78 -5.69 0.00 6.67 3.41 -1.26 -2.35 113.62 119.18 3cfe n SER 180 Ca -0.06 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3cfe n SER 180 Cb 0.41 -2.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 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 -0.35 1.87 3.56 5.00 0.00 -1.26 -4.94 105.19 109.07 3cfe n GLY 183 Ca -0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 2.94 0.55 0.99 1.43 -0.99 -5.00 118.68 118.60 3cfe s LEU 184 Ca 0.00 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 3cfe s LEU 184 Cb 0.00 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3cfe s LEU 184 CO 0.00 0.09 0.89 -0.31 0.23 0.00 0.00 176.35 177.25 3cfe s TYR 185 N -1.81 3.52 -0.19 0.29 2.02 0.58 0.14 117.35 121.91 3cfe s TYR 185 Ca 0.26 0.93 -0.14 0.00 -0.37 0.00 0.00 57.07 57.74 3cfe s TYR 185 Cb -0.08 -2.52 0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3cfe s TYR 185 CO 0.15 -0.52 0.48 0.99 -1.57 0.00 0.00 175.55 175.08 3cfe s THR 186 N -2.93 -0.01 0.29 -0.71 2.01 0.36 -0.38 115.64 114.26 3cfe s THR 186 Ca 0.51 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.57 3cfe s THR 186 Cb -0.11 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3cfe s THR 186 CO 0.48 0.01 0.20 0.00 -0.69 0.00 0.00 174.62 174.61 3cfe s MET 187 N 0.73 1.56 0.18 4.92 0.23 0.21 -0.88 119.30 126.25 3cfe s MET 187 Ca -0.04 -1.88 -0.19 0.00 -1.03 0.00 0.00 55.69 52.55 3cfe s MET 187 Cb -0.05 0.15 0.04 0.00 -1.53 0.00 0.00 34.83 33.44 3cfe s MET 187 CO -0.05 -0.51 0.53 -1.54 -2.03 0.00 0.00 175.02 171.42 3cfe s SER 188 N -3.32 -0.33 -0.06 -1.18 1.04 -1.25 -1.77 113.70 106.82 3cfe s SER 188 Ca 0.38 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 3cfe s SER 188 Cb 0.04 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3cfe s SER 188 CO 0.20 -1.01 0.22 -0.55 0.98 0.00 0.00 173.24 173.08 3cfe s SER 189 N -2.83 -0.18 0.15 7.02 0.15 -0.79 -1.30 113.70 115.93 3cfe s SER 189 Ca 0.06 0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.08 3cfe s SER 189 Cb -0.01 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 3cfe s SER 189 CO -0.07 -0.18 -0.17 -0.94 1.20 0.00 0.00 173.24 173.08 3cfe s SER 190 N -0.36 3.89 0.01 5.45 1.04 -0.40 -1.24 113.70 122.09 3cfe s SER 190 Ca -0.05 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 3cfe s SER 190 Cb -0.03 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 3cfe s SER 190 CO 0.01 0.14 0.00 0.54 0.98 0.00 0.00 173.24 174.91 3cfe s VAL 191 N -1.44 0.05 -0.03 5.02 0.11 0.14 -1.46 120.40 122.80 3cfe s VAL 191 Ca 0.21 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 3cfe s VAL 191 Cb -0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 3cfe s VAL 191 CO 0.12 -0.23 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.54 3cfe s THR 192 N -0.67 1.83 0.02 5.04 2.01 -0.70 0.10 115.64 123.27 3cfe s THR 192 Ca -0.07 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 3cfe s THR 192 Cb -0.05 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3cfe s THR 192 CO -0.00 0.52 0.03 0.68 -0.69 0.00 0.00 174.62 175.16 3cfe s VAL 193 N -0.40 0.11 0.33 3.82 -7.23 0.08 -3.18 120.40 113.94 3cfe s VAL 193 Ca 0.05 -0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 3cfe s VAL 193 Cb -0.10 -0.43 -0.13 0.00 0.56 0.00 0.00 36.38 36.28 3cfe s VAL 193 CO 0.00 -0.49 1.07 -2.65 -0.31 0.00 0.00 175.10 172.72 3cfe n PRO 194 N 1.41 1.54 0.28 4.82 -0.02 -1.26 -0.36 135.00 141.40 3cfe n PRO 194 Ca -0.23 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 61.96 3cfe n PRO 194 Cb 0.56 -2.00 0.71 0.00 -0.02 0.00 0.00 33.50 32.74 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 2.02 0.00 0.53 2.55 4.64 -1.76 -1.10 113.55 120.43 3cfe h SER 195 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3cfe h SER 195 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3cfe h SER 195 CO 0.60 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3cfe n SER 196 N -3.15 0.00 -0.41 4.97 3.41 -1.26 -3.38 113.62 113.81 3cfe n SER 196 Ca 0.00 -0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 3cfe n SER 196 Cb 0.30 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.31 0.00 -3.80 6.66 -2.24 -0.42 -4.80 114.28 108.38 3cfe n THR 198 Ca 0.12 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3cfe n THR 198 Cb 0.22 1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.56 -0.11 -2.06 4.78 -0.00 -1.22 -0.20 118.94 117.58 3cfe s TRP 199 Ca 0.16 0.33 0.12 0.00 -0.00 0.00 0.00 56.10 56.71 3cfe s TRP 199 Cb 0.18 -0.04 0.51 0.00 -0.00 0.00 0.00 33.47 34.12 3cfe s TRP 199 CO 0.62 -0.10 1.36 -0.35 -0.00 0.00 0.00 176.95 178.48 3cfe n PRO 200 N 3.59 1.34 0.00 5.86 -0.05 -1.26 -4.84 135.00 139.64 3cfe n PRO 200 Ca -0.19 -0.53 0.00 0.00 -0.05 0.00 0.00 63.50 62.73 3cfe n PRO 200 Cb 0.55 -1.22 0.00 0.00 -0.05 0.00 0.00 33.50 32.78 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 -0.16 0.00 -4.65 3.54 2.88 -1.24 -4.39 113.62 109.59 3cfe n SER 202 Ca 0.10 0.80 -0.43 0.00 -1.33 0.00 0.00 58.87 58.01 3cfe n SER 202 Cb 0.15 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.29 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 -2.20 4.19 0.32 -1.46 2.02 0.72 -4.99 118.70 117.30 3cfe s GLU 203 Ca 0.00 1.14 -0.27 0.00 0.02 0.00 0.00 54.97 55.86 3cfe s GLU 203 Cb 0.00 -3.66 -0.14 0.00 0.10 0.00 0.00 34.13 30.44 3cfe s GLU 203 CO 0.00 -0.63 0.94 0.25 0.02 0.00 0.00 175.26 175.84 3cfe n THR 204 N 5.37 2.04 -4.28 3.63 -2.24 -1.26 -4.58 114.28 112.96 3cfe n THR 204 Ca 0.09 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 3cfe n THR 204 Cb 0.47 -0.92 -0.17 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.82 0.00 2.28 1.01 -1.26 -4.20 120.40 117.93 3cfe s VAL 205 Ca 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3cfe s VAL 205 Cb -0.68 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3cfe s VAL 205 CO 0.59 0.30 0.01 0.28 0.00 0.00 0.00 175.10 176.28 3cfe s THR 206 N 0.96 0.05 0.21 3.92 -1.32 -0.76 -0.49 115.64 118.22 3cfe s THR 206 Ca -0.10 -0.43 0.08 0.00 -1.21 0.00 0.00 61.69 60.04 3cfe s THR 206 Cb -0.15 -0.16 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 3cfe s THR 206 CO 0.00 -0.23 0.00 0.00 -2.21 0.00 0.00 174.62 172.18 3cfe s SER 209 N -3.26 2.64 -0.32 0.00 0.01 0.88 -1.32 113.70 112.33 3cfe s SER 209 Ca 0.29 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3cfe s SER 209 Cb -0.08 -1.06 0.07 0.00 0.21 0.00 0.00 66.02 65.17 3cfe s SER 209 CO 0.19 -0.10 0.03 -0.69 0.41 0.00 0.00 173.24 173.08 3cfe s VAL 210 N 1.56 2.72 -0.23 3.43 1.01 0.24 -0.49 120.40 128.63 3cfe s VAL 210 Ca 0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 61.98 60.14 3cfe s VAL 210 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3cfe s VAL 210 CO -0.09 -0.31 0.14 0.00 0.00 0.00 0.00 175.10 174.83 3cfe s ALA 211 N 1.12 3.54 -0.37 5.51 0.00 0.38 -1.71 121.76 130.23 3cfe s ALA 211 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3cfe s ALA 211 Cb -0.20 -2.23 0.10 0.00 0.00 0.00 0.00 23.12 20.79 3cfe s ALA 211 CO -0.04 -0.15 0.08 -1.58 0.00 0.00 0.00 175.76 174.07 3cfe s HIS 212 N 0.97 3.62 0.09 0.00 2.46 0.35 -1.94 115.29 120.85 3cfe s HIS 212 Ca 0.07 -3.00 -0.19 0.00 0.47 0.00 0.00 55.06 52.41 3cfe s HIS 212 Cb -0.13 -2.87 -0.08 0.00 -0.13 0.00 0.00 32.58 29.36 3cfe s HIS 212 CO 0.04 -0.92 1.62 -1.35 -2.47 0.00 0.00 174.74 171.66 3cfe h PRO 213 N 7.46 0.34 -1.04 2.88 0.11 -1.81 0.23 132.00 140.17 3cfe h PRO 213 Ca -0.05 -0.07 0.27 0.00 0.11 0.00 0.00 66.00 66.27 3cfe h PRO 213 Cb 1.00 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.98 3cfe h PRO 213 CO 0.54 0.41 0.69 0.00 -0.21 0.00 0.00 178.00 179.44 3cfe h ALA 214 N 0.91 2.45 -0.02 -0.75 0.00 -1.92 3.25 119.26 123.19 3cfe h ALA 214 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cfe h ALA 214 Cb 0.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cfe h ALA 214 CO -0.00 -0.82 -0.07 0.45 0.00 0.00 0.00 179.25 178.81 3cfe n SER 215 N -4.50 2.47 -3.35 0.00 2.88 -1.16 -4.97 113.62 104.98 3cfe n SER 215 Ca 0.24 -1.78 -0.24 0.00 -1.33 0.00 0.00 58.87 55.76 3cfe n SER 215 Cb 0.94 0.06 0.01 0.00 -0.75 0.00 0.00 64.21 64.47 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 0.84 -3.98 -3.92 -3.46 3.41 1.08 -4.98 113.62 102.61 3cfe n SER 216 Ca 0.14 -0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 58.09 3cfe n SER 216 Cb 0.52 -1.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.10 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 -2.22 0.09 -0.05 6.66 -4.23 0.66 -4.97 115.64 111.57 3cfe s THR 217 Ca 0.11 -0.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 3cfe s THR 217 Cb -0.01 -0.34 0.04 0.00 1.34 0.00 0.00 72.50 73.53 3cfe s THR 217 CO 0.71 -0.41 0.10 -0.89 -0.54 0.00 0.00 174.62 173.59 3cfe s THR 218 N -1.32 -0.13 0.23 3.99 2.01 -1.26 0.13 115.64 119.30 3cfe s THR 218 Ca -0.14 0.30 0.11 0.00 0.31 0.00 0.00 61.69 62.27 3cfe s THR 218 Cb -0.08 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 3cfe s THR 218 CO 0.00 0.13 -0.18 0.68 -0.69 0.00 0.00 174.62 174.56 3cfe s VAL 219 N 1.72 2.64 -0.15 3.82 -7.23 -0.69 -4.96 120.40 115.54 3cfe s VAL 219 Ca -0.02 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3cfe s VAL 219 Cb -0.12 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.53 3cfe s VAL 219 CO -0.04 -0.24 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.62 3cfe s ASP 220 N -3.09 2.69 -0.20 4.85 1.01 -1.26 -0.59 116.67 120.08 3cfe s ASP 220 Ca 0.26 -0.56 -0.08 0.00 0.71 0.00 0.00 52.55 52.87 3cfe s ASP 220 Cb -0.07 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 3cfe s ASP 220 CO 0.13 -0.15 0.09 -0.54 0.21 0.00 0.00 175.17 174.91 3cfe s LYS 221 N 1.61 3.97 0.58 8.23 -0.14 -0.43 -4.92 119.74 128.64 3cfe s LYS 221 Ca 0.02 -0.34 -0.16 0.00 -1.36 0.00 0.00 55.97 54.13 3cfe s LYS 221 Cb -0.14 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 3cfe s LYS 221 CO -0.08 0.18 1.05 0.15 -0.76 0.00 0.00 175.35 175.89 3cfe s LYS 222 N 0.64 3.41 -0.26 1.68 1.02 -1.26 -0.23 119.74 124.74 3cfe s LYS 222 Ca 0.04 1.19 -0.02 0.00 0.02 0.00 0.00 55.97 57.20 3cfe s LYS 222 Cb -0.13 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3cfe s LYS 222 CO 0.01 -0.74 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.16 3cfe s LEU 223 N -4.40 3.35 0.04 3.17 1.43 0.36 -4.87 118.68 117.75 3cfe s LEU 223 Ca 0.63 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3cfe s LEU 223 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3cfe s LEU 223 CO 0.35 -0.15 0.20 -1.61 0.23 0.00 0.00 176.35 175.37 3cfe s GLU 226 N 1.34 3.42 0.00 1.70 0.41 -1.26 -4.60 118.70 119.71 3cfe s GLU 226 Ca -0.00 -0.42 0.18 0.00 -0.41 0.00 0.00 54.97 54.32 3cfe s GLU 226 Cb -0.17 -3.04 1.10 0.00 -1.78 0.00 0.00 34.13 30.23 3cfe s GLU 226 CO -0.03 0.63 1.49 -0.35 -0.49 0.00 0.00 175.26 176.51