#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3f s GLN 3 N 0.00 1.27 -0.25 5.55 0.74 -0.82 -5.01 119.66 121.14 1t3f s GLN 3 Ca 0.00 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 54.97 1t3f s GLN 3 Cb 0.00 -1.14 -0.00 0.00 1.10 0.00 0.00 33.01 32.97 1t3f s GLN 3 CO 0.00 0.14 0.00 -0.51 -0.55 0.00 0.00 175.29 174.37 1t3f s LEU 4 N 0.22 3.26 -0.23 3.68 1.43 -1.26 -0.90 118.68 124.88 1t3f s LEU 4 Ca -0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1t3f s LEU 4 Cb -0.10 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1t3f s LEU 4 CO 0.01 -0.08 -0.11 -0.69 0.23 0.00 0.00 176.35 175.71 1t3f s VAL 5 N 1.48 2.48 0.29 -1.59 1.01 0.11 -3.89 120.40 120.29 1t3f s VAL 5 Ca 0.04 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1t3f s VAL 5 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1t3f s VAL 5 CO -0.01 0.24 0.44 -1.10 0.00 0.00 0.00 175.10 174.67 1t3f s GLN 6 N 1.26 3.42 0.92 2.72 -0.21 -1.26 -0.65 119.66 125.87 1t3f s GLN 6 Ca -0.01 -0.62 -0.12 0.00 0.02 0.00 0.00 55.36 54.64 1t3f s GLN 6 Cb -0.16 -2.80 0.15 0.00 1.00 0.00 0.00 33.01 31.19 1t3f s GLN 6 CO -0.07 0.29 1.09 -1.54 -2.12 0.00 0.00 175.29 172.94 1t3f s SER 7 N -4.02 3.21 0.94 5.90 1.04 -0.86 -4.97 113.70 114.93 1t3f s SER 7 Ca 0.37 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 58.15 1t3f s SER 7 Cb -0.09 -2.14 0.15 0.00 0.10 0.00 0.00 66.02 64.04 1t3f s SER 7 CO 0.32 -2.80 1.13 -0.83 0.98 0.00 0.00 173.24 172.04 1t3f s GLY 8 N -3.36 1.58 0.41 7.32 0.00 -1.26 -4.61 107.32 107.40 1t3f s GLY 8 Ca 0.64 -0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.57 1t3f s GLY 8 CO 0.57 0.06 1.34 0.00 0.00 0.00 0.00 173.10 175.07 1t3f n ALA 9 N -3.87 1.62 -2.58 3.20 0.00 -1.26 -4.78 120.51 112.84 1t3f n ALA 9 Ca 0.07 0.29 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1t3f n ALA 9 Cb 0.59 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 1t3f n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3f s GLU 10 N -2.19 2.54 -0.21 0.00 0.41 0.06 -5.00 118.70 114.31 1t3f s GLU 10 Ca 0.59 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 54.34 1t3f s GLU 10 Cb -0.50 -2.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.59 1t3f s GLU 10 CO 0.59 0.50 -0.13 -1.17 -0.49 0.00 0.00 175.26 174.56 1t3f s LEU 11 N -0.42 2.57 0.05 1.80 2.96 -1.26 -0.79 118.68 123.59 1t3f s LEU 11 Ca 0.04 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 1t3f s LEU 11 Cb -0.12 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1t3f s LEU 11 CO 0.02 -0.03 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.36 1t3f s LYS 12 N 1.34 0.68 0.35 1.98 -0.14 -0.16 -4.99 119.74 118.79 1t3f s LYS 12 Ca 0.04 -0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 53.74 1t3f s LYS 12 Cb -0.14 -0.57 -0.06 0.00 -1.68 0.00 0.00 37.83 35.38 1t3f s LYS 12 CO -0.09 0.12 0.68 0.15 -0.76 0.00 0.00 175.35 175.46 1t3f s LYS 13 N -1.56 3.76 0.52 1.68 1.02 -1.26 -1.26 119.74 122.64 1t3f s LYS 13 Ca -0.05 0.33 -0.23 0.00 0.02 0.00 0.00 55.97 56.04 1t3f s LYS 13 Cb -0.10 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.66 1t3f s LYS 13 CO 0.01 0.09 1.38 -2.30 -0.92 0.00 0.00 175.35 173.62 1t3f n PRO 14 N -1.00 1.85 0.00 -1.68 -0.02 -1.26 -2.47 135.00 130.42 1t3f n PRO 14 Ca 0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1t3f n PRO 14 Cb 0.54 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1t3f n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t3f n GLY 15 N 0.70 3.02 3.75 -1.23 0.00 0.10 -4.90 105.19 106.64 1t3f n GLY 15 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1t3f n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1t3f s SER 16 N 0.10 2.01 0.18 1.61 1.04 -1.03 -4.14 113.70 113.47 1t3f s SER 16 Ca 0.00 0.49 0.07 0.00 0.48 0.00 0.00 55.95 56.98 1t3f s SER 16 Cb 0.00 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.42 1t3f s SER 16 CO 0.00 -3.44 -0.13 -0.94 0.98 0.00 0.00 173.24 169.71 1t3f s SER 17 N -4.34 2.30 0.02 7.02 1.04 -1.26 -1.08 113.70 117.40 1t3f s SER 17 Ca 0.72 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1t3f s SER 17 Cb -0.07 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1t3f s SER 17 CO 0.55 -0.22 -0.03 0.54 0.98 0.00 0.00 173.24 175.06 1t3f s VAL 18 N -3.02 0.17 -0.17 5.02 0.11 -0.66 -4.99 120.40 116.86 1t3f s VAL 18 Ca 0.20 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1t3f s VAL 18 Cb -0.00 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1t3f s VAL 18 CO 0.05 -0.36 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.58 1t3f s LYS 19 N -1.15 2.16 -0.07 1.54 2.20 -1.26 -0.59 119.74 122.57 1t3f s LYS 19 Ca -0.11 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 1t3f s LYS 19 Cb -0.08 -2.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.01 1t3f s LYS 19 CO -0.01 -0.31 -0.00 0.08 -0.36 0.00 0.00 175.35 174.75 1t3f s VAL 20 N 1.47 4.24 0.27 4.02 1.01 0.11 -4.94 120.40 126.57 1t3f s VAL 20 Ca 0.03 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.80 1t3f s VAL 20 Cb -0.14 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1t3f s VAL 20 CO -0.10 0.57 -0.12 -0.94 0.00 0.00 0.00 175.10 174.51 1t3f s SER 21 N -0.97 3.97 -0.27 3.32 1.04 -1.26 -0.91 113.70 118.62 1t3f s SER 21 Ca 0.14 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1t3f s SER 21 Cb -0.11 -0.52 0.13 0.00 0.10 0.00 0.00 66.02 65.62 1t3f s SER 21 CO 0.03 0.03 0.32 0.00 0.98 0.00 0.00 173.24 174.60 1t3f s LYS 23 N 2.41 4.12 -0.11 0.00 2.20 0.18 -1.00 119.74 127.54 1t3f s LYS 23 Ca 0.10 -0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.40 1t3f s LYS 23 Cb -0.14 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1t3f s LYS 23 CO -0.28 0.18 0.09 0.00 -0.36 0.00 0.00 175.35 174.99 1t3f s ALA 24 N 0.69 3.65 0.05 3.13 0.00 -0.41 -0.71 121.76 128.16 1t3f s ALA 24 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1t3f s ALA 24 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1t3f s ALA 24 CO 0.01 0.59 -0.07 -1.12 0.00 0.00 0.00 175.76 175.17 1t3f s SER 25 N -0.91 0.81 0.00 0.00 0.01 -0.08 -4.85 113.70 108.69 1t3f s SER 25 Ca 0.14 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1t3f s SER 25 Cb -0.12 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1t3f s SER 25 CO 0.03 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1t3f n GLY 26 N 1.24 0.72 3.75 3.44 0.00 -1.26 -1.94 105.19 111.14 1t3f n GLY 26 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1t3f n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1t3f s TYR 27 N -2.18 0.04 -0.49 1.61 1.13 -1.26 -4.36 117.35 111.84 1t3f s TYR 27 Ca 0.00 -0.46 -0.28 0.00 -1.41 0.00 0.00 57.07 54.91 1t3f s TYR 27 Cb 0.00 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.38 1t3f s TYR 27 CO 0.00 -1.15 1.34 0.42 -2.51 0.00 0.00 175.55 173.65 1t3f s ILE 28 N -3.92 3.94 0.30 -3.49 1.01 -1.26 -4.90 121.20 112.89 1t3f s ILE 28 Ca 0.16 0.90 0.05 0.00 0.00 0.00 0.00 60.65 61.76 1t3f s ILE 28 Cb -0.04 -4.41 0.30 0.00 0.01 0.00 0.00 42.46 38.32 1t3f s ILE 28 CO 0.08 -1.00 1.81 0.15 0.00 0.00 0.00 174.94 175.98 1t3f h PHE 29 N 10.42 1.06 -0.04 3.97 3.57 -1.94 -0.74 116.94 133.23 1t3f h PHE 29 Ca -0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1t3f h PHE 29 Cb 1.09 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1t3f h PHE 29 CO 1.00 0.32 0.00 0.25 -2.23 0.00 0.00 178.31 177.64 1t3f n THR 30 N -4.69 0.05 1.05 4.41 -2.24 -1.26 -3.53 114.28 108.08 1t3f n THR 30 Ca 0.21 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1t3f n THR 30 Cb 0.49 -0.10 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 1t3f n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1t3f n SER 31 N -0.50 2.09 -3.93 3.42 3.41 -0.29 -4.38 113.62 113.44 1t3f n SER 31 Ca 0.10 -1.54 -0.10 0.00 -0.26 0.00 0.00 58.87 57.07 1t3f n SER 31 Cb 0.09 0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1t3f n SER 31 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1t3f s SER 32 N -2.36 0.15 0.54 4.04 0.01 -1.23 -4.93 113.70 109.92 1t3f s SER 32 Ca 0.22 -0.36 -0.18 0.00 1.31 0.00 0.00 55.95 56.94 1t3f s SER 32 Cb 0.19 0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.50 1t3f s SER 32 CO 0.50 -0.30 1.07 0.26 0.41 0.00 0.00 173.24 175.17 1t3f s TRP 33 N -1.32 2.91 -0.21 2.43 0.52 0.23 -4.38 118.94 119.11 1t3f s TRP 33 Ca -0.14 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 57.45 1t3f s TRP 33 Cb -0.08 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 1t3f s TRP 33 CO -0.00 -1.11 0.06 0.42 0.02 0.00 0.00 176.95 176.34 1t3f s ILE 34 N -2.11 4.53 0.08 2.03 -1.09 -0.61 -0.50 121.20 123.54 1t3f s ILE 34 Ca 0.67 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 59.01 1t3f s ILE 34 Cb -0.18 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1t3f s ILE 34 CO 0.28 0.41 0.10 0.20 -1.23 0.00 0.00 174.94 174.70 1t3f s ASN 35 N 0.90 5.64 -0.04 3.58 0.01 0.67 -1.42 114.94 124.29 1t3f s ASN 35 Ca 0.03 0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.27 1t3f s ASN 35 Cb -0.14 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 1t3f s ASN 35 CO 0.03 0.16 -0.25 0.26 -1.51 0.00 0.00 177.10 175.79 1t3f s TRP 36 N -1.43 2.30 -0.01 2.20 0.52 -0.78 -0.54 118.94 121.20 1t3f s TRP 36 Ca 0.30 -0.56 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1t3f s TRP 36 Cb -0.12 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1t3f s TRP 36 CO 0.23 -0.12 -0.08 0.08 0.02 0.00 0.00 176.95 177.07 1t3f s VAL 37 N -0.37 0.68 -0.11 4.03 1.01 0.12 -0.94 120.40 124.81 1t3f s VAL 37 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1t3f s VAL 37 Cb -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1t3f s VAL 37 CO 0.01 0.20 0.03 -0.75 0.00 0.00 0.00 175.10 174.60 1t3f s LYS 38 N 0.00 3.27 -0.34 2.72 2.20 0.69 -0.35 119.74 127.93 1t3f s LYS 38 Ca 0.00 -0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1t3f s LYS 38 Cb -0.06 -2.94 0.11 0.00 -1.51 0.00 0.00 37.83 33.43 1t3f s LYS 38 CO -0.00 0.62 0.14 -1.14 -0.36 0.00 0.00 175.35 174.60 1t3f s GLN 39 N -0.63 0.84 0.64 4.03 0.74 0.19 -0.47 119.66 125.00 1t3f s GLN 39 Ca 0.11 -1.30 -0.16 0.00 0.05 0.00 0.00 55.36 54.05 1t3f s GLN 39 Cb -0.12 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.95 1t3f s GLN 39 CO 0.02 -1.04 1.14 0.00 -0.55 0.00 0.00 175.29 174.87 1t3f s ALA 40 N 1.30 2.46 0.32 1.58 0.00 -1.26 -1.45 121.76 124.70 1t3f s ALA 40 Ca 0.12 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 1t3f s ALA 40 Cb -0.19 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 1t3f s ALA 40 CO -0.18 -1.27 1.54 -2.14 0.00 0.00 0.00 175.76 173.71 1t3f s PRO 41 N -3.81 4.13 0.00 0.00 0.02 -1.26 -1.13 135.00 132.95 1t3f s PRO 41 Ca 0.71 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.28 1t3f s PRO 41 Cb -0.24 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1t3f s PRO 41 CO 0.38 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1t3f n GLY 42 N 1.57 0.24 2.30 0.52 0.00 -1.26 -4.97 105.19 103.58 1t3f n GLY 42 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1t3f n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t3f n GLN 43 N -1.03 1.17 -0.22 1.61 6.02 -0.28 -5.16 117.38 119.49 1t3f n GLN 43 Ca 0.00 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 1t3f n GLN 43 Cb 0.20 0.52 0.00 0.00 1.02 0.00 0.00 30.24 31.98 1t3f n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1t3f n GLY 44 N 1.13 0.63 3.76 1.08 0.00 -1.26 -4.71 105.19 105.82 1t3f n GLY 44 Ca -0.10 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1t3f n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t3f s LEU 45 N 0.00 4.18 -0.12 0.99 1.43 -1.26 -4.04 118.68 119.87 1t3f s LEU 45 Ca 0.00 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1t3f s LEU 45 Cb 0.00 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1t3f s LEU 45 CO 0.00 0.26 -0.15 -0.70 0.23 0.00 0.00 176.35 175.99 1t3f s GLU 46 N -0.11 2.26 0.05 1.70 2.12 0.39 -4.96 118.70 120.15 1t3f s GLU 46 Ca 0.10 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1t3f s GLU 46 Cb -0.11 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 1t3f s GLU 46 CO 0.00 -0.11 1.01 -0.46 -0.54 0.00 0.00 175.26 175.17 1t3f s TRP 47 N 1.12 3.67 -0.25 5.30 -0.00 -1.26 -0.22 118.94 127.29 1t3f s TRP 47 Ca -0.04 1.67 -0.05 0.00 -0.00 0.00 0.00 56.10 57.69 1t3f s TRP 47 Cb -0.14 -3.15 -0.16 0.00 -0.00 0.00 0.00 33.47 30.01 1t3f s TRP 47 CO -0.04 -0.15 -0.20 -0.89 -0.00 0.00 0.00 176.95 175.68 1t3f n ILE 48 N 3.47 1.53 0.00 5.86 5.41 -0.11 -4.66 119.36 130.86 1t3f n ILE 48 Ca 0.05 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.31 1t3f n ILE 48 Cb 0.50 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1t3f n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1t3f n GLY 49 N 1.88 -0.91 3.20 7.39 0.00 -1.23 -1.08 105.19 114.45 1t3f n GLY 49 Ca -0.47 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1t3f n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3f s ARG 50 N -2.00 0.81 -0.01 1.61 1.70 0.05 -1.86 118.95 119.25 1t3f s ARG 50 Ca 0.00 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 54.35 1t3f s ARG 50 Cb 0.00 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1t3f s ARG 50 CO 0.00 -0.25 0.04 -1.50 -1.08 0.00 0.00 175.30 172.51 1t3f s ILE 51 N -3.57 0.04 -0.38 4.99 2.07 -0.51 -1.12 121.20 122.72 1t3f s ILE 51 Ca 0.03 -0.32 -0.15 0.00 -1.41 0.00 0.00 60.65 58.79 1t3f s ILE 51 Cb 0.04 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.47 1t3f s ILE 51 CO -0.09 -0.18 0.34 -0.62 -1.91 0.00 0.00 174.94 172.48 1t3f s ASP 52 N -0.53 6.14 0.58 4.50 -1.08 0.21 -1.57 116.67 124.92 1t3f s ASP 52 Ca -0.06 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.68 1t3f s ASP 52 Cb -0.04 -2.18 1.63 0.00 -1.46 0.00 0.00 42.92 40.87 1t3f s ASP 52 CO -0.00 -0.42 2.12 -0.65 0.52 0.00 0.00 175.17 176.74 1t3f h PRO 53 N 8.59 0.00 -0.75 4.34 0.11 -1.83 0.22 132.00 142.68 1t3f h PRO 53 Ca -0.28 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.89 1t3f h PRO 53 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1t3f h PRO 53 CO 0.72 0.00 0.44 0.77 -0.21 0.00 0.00 178.00 179.72 1t3f h SER 54 N 0.00 0.68 0.00 -2.05 0.02 -1.88 -3.38 113.55 106.94 1t3f h SER 54 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1t3f h SER 54 Cb 0.42 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1t3f h SER 54 CO -0.00 0.44 0.00 -0.90 -1.14 0.00 0.00 176.83 175.23 1t3f n ASP 55 N -4.71 0.00 0.00 3.07 5.68 -1.08 -5.04 116.55 114.47 1t3f n ASP 55 Ca 0.10 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.79 1t3f n ASP 55 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1t3f n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t3f n GLY 56 N 0.00 0.71 3.70 6.12 0.00 0.76 -5.00 105.19 111.48 1t3f n GLY 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1t3f n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t3f n GLU 57 N -2.53 2.70 -4.61 1.61 2.13 -1.24 -4.67 120.64 114.04 1t3f n GLU 57 Ca 0.00 0.98 -0.23 0.00 0.66 0.00 0.00 57.16 58.57 1t3f n GLU 57 Cb 0.00 -2.83 -0.15 0.00 0.27 0.00 0.00 31.44 28.73 1t3f n GLU 57 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1t3f s VAL 58 N 1.69 1.22 -0.01 6.31 0.11 -1.26 -0.62 120.40 127.84 1t3f s VAL 58 Ca 0.78 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1t3f s VAL 58 Cb -0.52 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1t3f s VAL 58 CO 0.35 0.24 -0.10 -1.00 -3.33 0.00 0.00 175.10 171.25 1t3f s HIS 59 N -0.53 0.94 -0.00 1.54 3.76 -0.28 -5.01 115.29 115.71 1t3f s HIS 59 Ca 0.05 -0.19 0.08 0.00 -0.15 0.00 0.00 55.06 54.85 1t3f s HIS 59 Cb -0.07 -0.62 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 1t3f s HIS 59 CO 0.00 -0.03 -0.25 0.71 -0.85 0.00 0.00 174.74 174.32 1t3f s TYR 60 N -0.17 2.35 0.08 1.40 2.02 -1.26 -0.77 117.35 121.00 1t3f s TYR 60 Ca 0.03 -0.42 -0.33 0.00 -0.37 0.00 0.00 57.07 55.99 1t3f s TYR 60 Cb -0.05 -1.48 -0.12 0.00 -0.40 0.00 0.00 41.96 39.92 1t3f s TYR 60 CO -0.00 0.02 1.79 -1.71 -1.57 0.00 0.00 175.55 174.07 1t3f n ASN 61 N 2.24 3.68 0.28 2.29 2.85 -0.24 -4.91 115.26 121.45 1t3f n ASN 61 Ca -0.16 1.01 0.16 0.00 -0.11 0.00 0.00 54.58 55.48 1t3f n ASN 61 Cb 0.51 -1.48 0.79 0.00 1.24 0.00 0.00 39.78 40.85 1t3f n ASN 61 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1t3f h GLN 62 N 8.07 0.00 0.00 1.20 1.08 -1.94 0.10 115.11 123.61 1t3f h GLN 62 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1t3f h GLN 62 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1t3f h GLN 62 CO 0.93 0.07 0.00 -0.44 -0.95 0.00 0.00 178.83 178.44 1t3f h ASP 63 N 0.00 0.00 -0.20 1.46 3.32 -1.95 -2.59 116.42 116.46 1t3f h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1t3f h ASP 63 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1t3f h ASP 63 CO 0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 1t3f n PHE 64 N -2.39 0.29 -0.20 4.55 3.72 0.02 -4.79 117.46 118.65 1t3f n PHE 64 Ca -0.01 -0.51 -0.01 0.00 -0.05 0.00 0.00 57.45 56.87 1t3f n PHE 64 Cb 0.08 -0.04 0.21 0.00 -0.94 0.00 0.00 39.48 38.79 1t3f n PHE 64 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1t3f h LYS 65 N 1.20 0.97 -0.65 -1.08 2.10 -1.44 -0.91 116.57 116.75 1t3f h LYS 65 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1t3f h LYS 65 Cb 0.66 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1t3f h LYS 65 CO 0.00 0.71 0.00 -0.25 -2.00 0.00 0.00 179.45 177.91 1t3f n ASP 66 N -4.37 4.87 -0.02 7.07 8.00 -1.26 -4.55 116.55 126.28 1t3f n ASP 66 Ca 0.07 -2.48 -0.05 0.00 0.71 0.00 0.00 54.79 53.03 1t3f n ASP 66 Cb 0.10 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1t3f n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1t3f n LYS 67 N 1.11 0.10 -4.53 -1.24 3.00 -0.70 -4.79 118.16 111.11 1t3f n LYS 67 Ca 0.26 0.05 -0.32 0.00 -0.00 0.00 0.00 58.31 58.30 1t3f n LYS 67 Cb 0.92 -0.67 -0.11 0.00 0.00 0.00 0.00 35.03 35.16 1t3f n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1t3f s ALA 68 N -2.09 2.95 -0.11 3.14 0.00 -0.43 -0.93 121.76 124.29 1t3f s ALA 68 Ca -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1t3f s ALA 68 Cb 0.03 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 22.08 1t3f s ALA 68 CO 0.09 0.60 -0.06 0.99 0.00 0.00 0.00 175.76 177.38 1t3f s THR 69 N -0.94 0.91 -0.19 0.00 2.01 -0.02 -4.79 115.64 112.62 1t3f s THR 69 Ca 0.16 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.83 1t3f s THR 69 Cb -0.11 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1t3f s THR 69 CO 0.06 0.33 0.14 -0.76 -0.69 0.00 0.00 174.62 173.70 1t3f s LEU 70 N 1.75 4.23 0.28 4.42 1.43 -1.26 -0.55 118.68 128.97 1t3f s LEU 70 Ca 0.05 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1t3f s LEU 70 Cb -0.13 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1t3f s LEU 70 CO -0.08 0.19 0.12 0.42 0.23 0.00 0.00 176.35 177.24 1t3f s THR 71 N 0.25 0.45 -0.02 5.49 -4.23 -0.48 -5.01 115.64 112.09 1t3f s THR 71 Ca 0.09 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1t3f s THR 71 Cb -0.11 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.16 1t3f s THR 71 CO -0.01 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.53 1t3f s VAL 72 N -3.71 0.06 -0.49 2.29 1.01 -1.26 -0.40 120.40 117.90 1t3f s VAL 72 Ca 0.37 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1t3f s VAL 72 Cb 0.07 -0.39 0.13 0.00 0.00 0.00 0.00 36.38 36.19 1t3f s VAL 72 CO 0.15 -0.27 0.26 -0.62 0.00 0.00 0.00 175.10 174.62 1t3f s ASP 73 N -0.98 4.93 0.48 3.32 -1.08 0.21 -5.00 116.67 118.54 1t3f s ASP 73 Ca -0.11 -2.55 0.20 0.00 -0.52 0.00 0.00 52.55 49.57 1t3f s ASP 73 Cb -0.06 -1.75 1.20 0.00 -1.46 0.00 0.00 42.92 40.85 1t3f s ASP 73 CO 0.01 -0.38 2.03 0.07 0.52 0.00 0.00 175.17 177.42 1t3f h LYS 74 N 7.27 0.00 0.00 4.34 2.10 -1.84 -2.19 116.57 126.26 1t3f h LYS 74 Ca -0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1t3f h LYS 74 Cb 0.97 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1t3f h LYS 74 CO 0.67 0.16 -0.07 0.66 -2.00 0.00 0.00 179.45 178.87 1t3f h SER 75 N 0.00 0.00 -0.22 7.07 4.64 -1.95 -2.66 113.55 120.44 1t3f h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t3f h SER 75 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1t3f h SER 75 CO 0.02 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 1t3f n THR 76 N -4.03 1.34 -3.85 2.95 -2.24 -0.86 -5.00 114.28 102.58 1t3f n THR 76 Ca -0.03 -1.29 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 1t3f n THR 76 Cb 0.15 0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1t3f n THR 76 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1t3f n ASN 77 N -0.10 -5.07 -4.03 3.42 4.13 -0.98 -4.83 115.26 107.79 1t3f n ASN 77 Ca 0.11 -0.73 -0.20 0.00 1.68 0.00 0.00 54.58 55.44 1t3f n ASN 77 Cb 0.50 -4.04 -0.15 0.00 -1.54 0.00 0.00 39.78 34.55 1t3f n ASN 77 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1t3f s THR 78 N -3.29 0.84 0.03 3.41 -1.32 -1.01 -1.29 115.64 113.00 1t3f s THR 78 Ca 0.65 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.71 1t3f s THR 78 Cb -0.32 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1t3f s THR 78 CO 0.80 0.25 0.08 0.00 -2.21 0.00 0.00 174.62 173.55 1t3f s ALA 79 N -0.07 3.59 0.11 11.08 0.00 -0.17 -0.62 121.76 135.68 1t3f s ALA 79 Ca 0.01 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1t3f s ALA 79 Cb -0.06 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1t3f s ALA 79 CO 0.00 0.71 -0.19 0.71 0.00 0.00 0.00 175.76 177.00 1t3f s TYR 80 N -1.27 1.70 -0.09 0.00 2.02 0.46 -0.78 117.35 119.39 1t3f s TYR 80 Ca 0.25 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1t3f s TYR 80 Cb -0.12 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1t3f s TYR 80 CO 0.17 0.21 -0.05 1.41 -1.57 0.00 0.00 175.55 175.72 1t3f s MET 81 N -2.15 1.14 -0.19 -0.62 -2.45 -0.08 -1.38 119.30 113.57 1t3f s MET 81 Ca 0.08 -0.12 -0.08 0.00 -1.25 0.00 0.00 55.69 54.32 1t3f s MET 81 Cb -0.09 -1.27 -0.04 0.00 1.25 0.00 0.00 34.83 34.68 1t3f s MET 81 CO 0.04 -0.23 0.07 -2.00 1.05 0.00 0.00 175.02 173.95 1t3f s GLU 82 N 1.62 3.96 -0.16 4.11 2.12 0.28 -0.72 118.70 129.92 1t3f s GLU 82 Ca 0.01 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 1t3f s GLU 82 Cb -0.13 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1t3f s GLU 82 CO -0.05 0.22 0.01 -0.51 -0.54 0.00 0.00 175.26 174.39 1t3f s LEU 83 N 0.52 3.52 0.31 2.70 1.43 0.24 -0.84 118.68 126.56 1t3f s LEU 83 Ca 0.04 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1t3f s LEU 83 Cb -0.13 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1t3f s LEU 83 CO 0.01 0.19 0.21 -0.94 0.23 0.00 0.00 176.35 176.05 1t3f s SER 84 N 0.28 5.17 -1.29 2.29 1.04 -0.10 -1.66 113.70 119.44 1t3f s SER 84 Ca -0.00 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.75 1t3f s SER 84 Cb -0.13 -1.03 0.01 0.00 0.10 0.00 0.00 66.02 64.97 1t3f s SER 84 CO 0.02 -0.23 0.55 -1.20 0.98 0.00 0.00 173.24 173.36 1t3f n SER 85 N -1.24 -2.85 -4.75 7.02 7.64 -1.06 -4.78 113.62 113.61 1t3f n SER 85 Ca -0.04 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 58.26 1t3f n SER 85 Cb 0.59 -2.43 -0.01 0.00 -1.01 0.00 0.00 64.21 61.36 1t3f n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1t3f n LEU 86 N -4.61 4.38 -4.41 -3.43 4.77 -0.24 -4.55 117.00 108.91 1t3f n LEU 86 Ca -0.18 1.18 -0.21 0.00 -0.03 0.00 0.00 56.01 56.77 1t3f n LEU 86 Cb 0.62 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.03 1t3f n LEU 86 CO 0.74 0.07 -0.24 0.00 -1.33 0.00 0.00 177.39 176.64 1t3f s ARG 87 N -1.16 1.64 0.28 3.23 1.70 -1.26 -0.72 118.95 122.66 1t3f s ARG 87 Ca 0.60 -1.93 0.01 0.00 -0.47 0.00 0.00 55.73 53.93 1t3f s ARG 87 Cb -0.50 -0.52 0.66 0.00 -0.57 0.00 0.00 34.95 34.01 1t3f s ARG 87 CO 0.55 -0.33 1.67 1.03 -1.08 0.00 0.00 175.30 177.14 1t3f h SER 88 N 2.13 0.10 0.51 -2.89 0.87 -1.96 -0.95 113.55 111.36 1t3f h SER 88 Ca -0.38 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1t3f h SER 88 Cb 1.25 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1t3f h SER 88 CO 0.61 -0.09 0.00 -0.33 -0.53 0.00 0.00 176.83 176.50 1t3f h GLU 89 N 0.28 0.00 -0.00 2.24 3.07 -1.96 -1.53 114.58 116.67 1t3f h GLU 89 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1t3f h GLU 89 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1t3f h GLU 89 CO -0.59 0.00 -0.02 -0.25 -1.40 0.00 0.00 179.01 176.76 1t3f n ASP 90 N -2.43 0.06 -4.66 1.42 8.00 -0.36 -4.84 116.55 113.74 1t3f n ASP 90 Ca 0.01 -0.22 -0.42 0.00 0.71 0.00 0.00 54.79 54.86 1t3f n ASP 90 Cb 0.17 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1t3f n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1t3f s THR 91 N -2.54 3.60 -0.08 -3.53 2.01 -0.58 -4.84 115.64 109.67 1t3f s THR 91 Ca 0.29 0.72 -0.32 0.00 0.31 0.00 0.00 61.69 62.69 1t3f s THR 91 Cb 0.20 -3.47 0.13 0.00 0.01 0.00 0.00 72.50 69.37 1t3f s THR 91 CO 0.46 -0.07 1.25 0.00 -0.69 0.00 0.00 174.62 175.58 1t3f s ALA 92 N 4.07 -2.17 -0.06 7.40 0.00 -0.69 -4.39 121.76 125.93 1t3f s ALA 92 Ca 0.73 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1t3f s ALA 92 Cb -0.33 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1t3f s ALA 92 CO 0.29 -0.87 0.60 0.08 0.00 0.00 0.00 175.76 175.86 1t3f s VAL 93 N -2.43 5.03 -0.16 0.00 1.01 -0.53 -0.94 120.40 122.39 1t3f s VAL 93 Ca 0.12 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 1t3f s VAL 93 Cb 0.02 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1t3f s VAL 93 CO -0.04 0.34 -0.09 -0.31 0.00 0.00 0.00 175.10 175.00 1t3f s TYR 94 N 0.36 2.89 0.02 5.22 2.02 0.03 -0.64 117.35 127.26 1t3f s TYR 94 Ca 0.32 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1t3f s TYR 94 Cb -0.17 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 1t3f s TYR 94 CO 0.16 -0.26 -0.08 0.71 -1.57 0.00 0.00 175.55 174.51 1t3f s TYR 95 N 0.63 2.84 0.20 2.71 2.02 0.53 -1.04 117.35 125.24 1t3f s TYR 95 Ca -0.05 -0.08 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1t3f s TYR 95 Cb -0.15 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 1t3f s TYR 95 CO 0.03 0.37 0.24 0.00 -1.57 0.00 0.00 175.55 174.62 1t3f s ALA 97 N -1.90 -1.52 0.14 0.00 0.00 0.30 -0.62 121.76 118.16 1t3f s ALA 97 Ca 0.33 1.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.98 1t3f s ALA 97 Cb -0.09 -1.18 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 1t3f s ALA 97 CO 0.26 -0.32 0.98 0.50 0.00 0.00 0.00 175.76 177.18 1t3f s ARG 98 N 1.36 4.71 -0.18 0.00 3.52 -0.09 -0.24 118.95 128.04 1t3f s ARG 98 Ca -0.08 1.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.99 1t3f s ARG 98 Cb -0.06 -3.35 0.05 0.00 -1.56 0.00 0.00 34.95 30.04 1t3f s ARG 98 CO -0.14 0.25 0.00 0.20 -0.81 0.00 0.00 175.30 174.80 1t3f s GLY 99 N -0.22 0.80 0.00 8.12 0.00 0.35 -4.15 107.32 112.23 1t3f s GLY 99 Ca 0.46 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1t3f s GLY 99 CO 0.31 1.24 0.00 1.97 0.00 0.00 0.00 173.10 176.62 1t3f n PHE 100 N 4.98 0.00 -2.45 1.90 -1.74 -1.26 -0.60 117.46 118.29 1t3f n PHE 100 Ca -0.10 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.56 1t3f n PHE 100 Cb 0.47 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.53 1t3f n PHE 100 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1t3f s LEU 101 N -4.55 3.05 -0.79 5.98 1.43 -1.26 -4.92 118.68 117.62 1t3f s LEU 101 Ca 0.00 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1t3f s LEU 101 Cb 0.00 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1t3f s LEU 101 CO 0.00 -1.42 1.95 -2.65 0.23 0.00 0.00 176.35 174.46 1t3f n PRO 102 N -2.64 1.79 -3.60 1.29 -0.02 -1.26 -4.70 135.00 125.86 1t3f n PRO 102 Ca 0.09 -1.33 -0.06 0.00 -2.02 0.00 0.00 63.50 60.18 1t3f n PRO 102 Cb 0.60 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1t3f n PRO 102 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1t3f s TRP 103 N 3.65 -0.23 -0.46 6.00 1.48 -1.26 -5.13 118.94 122.98 1t3f s TRP 103 Ca 0.34 0.06 0.04 0.00 -1.06 0.00 0.00 56.10 55.48 1t3f s TRP 103 Cb 0.09 0.57 0.12 0.00 -1.16 0.00 0.00 33.47 33.09 1t3f s TRP 103 CO -0.03 -0.58 0.20 -0.06 -4.06 0.00 0.00 176.95 172.42 1t3f s PHE 104 N -3.05 3.30 -0.05 1.66 0.08 -1.26 -4.41 117.98 114.26 1t3f s PHE 104 Ca 0.08 -3.10 -0.18 0.00 0.12 0.00 0.00 56.93 53.85 1t3f s PHE 104 Cb -0.01 -2.82 -0.31 0.00 -0.57 0.00 0.00 43.02 39.32 1t3f s PHE 104 CO -0.05 -0.80 0.82 0.00 -0.10 0.00 0.00 175.22 175.09 1t3f h ALA 105 N 6.84 -0.03 -3.04 5.36 0.00 -1.96 -3.46 119.26 122.97 1t3f h ALA 105 Ca -0.07 -0.86 -0.66 0.00 0.00 0.00 0.00 54.91 53.32 1t3f h ALA 105 Cb 0.93 0.23 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1t3f h ALA 105 CO 0.63 0.59 -0.72 -0.51 0.00 0.00 0.00 179.25 179.25 1t3f s ASP 106 N -7.14 4.38 0.05 0.00 1.01 -1.26 -5.04 116.67 108.67 1t3f s ASP 106 Ca -0.14 -0.51 0.09 0.00 0.71 0.00 0.00 52.55 52.69 1t3f s ASP 106 Cb 0.03 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.19 1t3f s ASP 106 CO 0.84 -0.06 -0.24 0.26 0.21 0.00 0.00 175.17 176.18 1t3f s TRP 107 N 1.45 2.39 1.08 4.23 0.52 -1.26 -0.91 118.94 126.44 1t3f s TRP 107 Ca 0.05 -0.37 -0.15 0.00 0.02 0.00 0.00 56.10 55.65 1t3f s TRP 107 Cb -0.15 -1.40 0.23 0.00 -1.15 0.00 0.00 33.47 31.00 1t3f s TRP 107 CO -0.03 0.18 1.11 0.20 0.02 0.00 0.00 176.95 178.42 1t3f s GLY 108 N -1.36 1.57 0.00 0.98 0.00 0.21 -4.59 107.32 104.13 1t3f s GLY 108 Ca 0.13 -0.64 0.29 0.00 0.00 0.00 0.00 44.72 44.51 1t3f s GLY 108 CO 0.03 0.09 1.96 0.61 0.00 0.00 0.00 173.10 175.80 1t3f n GLN 109 N -4.40 0.19 0.00 2.90 0.00 -1.25 -4.77 117.38 110.04 1t3f n GLN 109 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.08 1t3f n GLN 109 Cb 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.32 1t3f n GLN 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1t3f n GLY 110 N 1.41 0.96 2.92 2.61 0.00 -1.26 -5.04 105.19 106.79 1t3f n GLY 110 Ca 0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 1t3f n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t3f s THR 111 N -2.50 1.14 -0.09 2.61 2.01 -0.21 -4.86 115.64 113.74 1t3f s THR 111 Ca 0.00 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1t3f s THR 111 Cb 0.00 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 1t3f s THR 111 CO 0.00 0.31 1.01 -0.22 -0.69 0.00 0.00 174.62 175.02 1t3f s LEU 112 N 1.65 4.26 -0.22 4.42 0.20 -1.26 -0.79 118.68 126.94 1t3f s LEU 112 Ca 0.04 1.55 -0.03 0.00 0.69 0.00 0.00 54.13 56.38 1t3f s LEU 112 Cb -0.13 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1t3f s LEU 112 CO -0.08 -0.42 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.80 1t3f s VAL 113 N 1.88 3.13 -0.14 1.68 1.01 -0.11 -0.76 120.40 127.08 1t3f s VAL 113 Ca 0.49 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1t3f s VAL 113 Cb -0.19 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1t3f s VAL 113 CO 0.19 0.40 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 1t3f s THR 114 N 1.43 3.52 -0.21 3.92 2.01 0.03 -1.70 115.64 124.64 1t3f s THR 114 Ca 0.05 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1t3f s THR 114 Cb -0.14 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.85 1t3f s THR 114 CO -0.05 0.51 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.62 1t3f s VAL 115 N 0.35 3.07 -0.18 3.82 1.01 -1.26 -0.99 120.40 126.22 1t3f s VAL 115 Ca -0.07 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1t3f s VAL 115 Cb -0.15 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1t3f s VAL 115 CO 0.04 0.45 0.74 -0.55 0.00 0.00 0.00 175.10 175.78 1t3f s SER 116 N 1.42 -0.68 0.00 3.32 0.15 -0.39 -4.57 113.70 112.95 1t3f s SER 116 Ca 0.05 1.08 0.29 0.00 0.70 0.00 0.00 55.95 58.07 1t3f s SER 116 Cb -0.14 1.01 1.27 0.00 -1.71 0.00 0.00 66.02 66.46 1t3f s SER 116 CO -0.05 -0.39 1.87 -1.54 1.20 0.00 0.00 173.24 174.33 1t3f n SER 117 N 1.88 0.75 -4.76 5.45 3.41 -1.26 -4.08 113.62 115.01 1t3f n SER 117 Ca -0.16 -0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 57.16 1t3f n SER 117 Cb 0.56 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.59 1t3f n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3f s ALA 118 N -2.23 2.18 0.23 7.33 0.00 -1.26 -5.07 121.76 122.95 1t3f s ALA 118 Ca 0.35 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.78 1t3f s ALA 118 Cb 0.21 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1t3f s ALA 118 CO 0.41 -1.83 -0.11 -1.54 0.00 0.00 0.00 175.76 172.69 1t3f s SER 119 N -3.14 4.08 0.27 0.00 1.04 -1.26 -5.06 113.70 109.62 1t3f s SER 119 Ca 0.63 -0.74 -0.31 0.00 0.48 0.00 0.00 55.95 56.01 1t3f s SER 119 Cb -0.19 -0.60 -0.12 0.00 0.10 0.00 0.00 66.02 65.22 1t3f s SER 119 CO 0.54 0.06 1.60 0.41 0.98 0.00 0.00 173.24 176.83 1t3f n THR 120 N -0.36 0.80 -3.67 2.02 -1.04 -1.26 -4.66 114.28 106.11 1t3f n THR 120 Ca -0.08 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 1t3f n THR 120 Cb 0.58 -1.91 -0.09 0.00 -1.82 0.00 0.00 70.33 67.09 1t3f n THR 120 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1t3f s LYS 121 N -0.15 0.51 0.56 -2.82 2.20 -0.50 -4.94 119.74 114.60 1t3f s LYS 121 Ca 0.67 1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 57.12 1t3f s LYS 121 Cb -0.52 0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 35.85 1t3f s LYS 121 CO 0.45 -0.16 1.02 0.20 -0.36 0.00 0.00 175.35 176.50 1t3f s GLY 122 N 1.65 2.06 0.53 5.54 0.00 -1.26 -1.15 107.32 114.69 1t3f s GLY 122 Ca -0.09 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 1t3f s GLY 122 CO -0.16 0.56 1.00 2.56 0.00 0.00 0.00 173.10 177.06 1t3f s PRO 123 N -4.15 3.84 0.05 2.90 0.04 -1.26 -4.61 135.00 131.82 1t3f s PRO 123 Ca 0.61 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1t3f s PRO 123 Cb -0.13 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1t3f s PRO 123 CO 0.35 -0.36 0.67 -1.12 0.04 0.00 0.00 177.00 176.59 1t3f s SER 124 N -3.10 7.13 -0.25 6.66 0.01 -0.11 -4.92 113.70 119.13 1t3f s SER 124 Ca 0.59 1.35 -0.02 0.00 1.31 0.00 0.00 55.95 59.18 1t3f s SER 124 Cb -0.11 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1t3f s SER 124 CO 0.33 0.13 -0.05 -0.69 0.41 0.00 0.00 173.24 173.37 1t3f s VAL 125 N -0.49 2.94 0.13 3.43 1.01 -1.26 -0.72 120.40 125.44 1t3f s VAL 125 Ca 0.34 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1t3f s VAL 125 Cb -0.20 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1t3f s VAL 125 CO 0.21 0.18 -0.08 -0.36 0.00 0.00 0.00 175.10 175.05 1t3f s PHE 126 N 1.33 2.74 0.26 5.22 0.08 0.39 -4.94 117.98 123.06 1t3f s PHE 126 Ca 0.00 -0.16 -0.23 0.00 0.12 0.00 0.00 56.93 56.66 1t3f s PHE 126 Cb -0.17 -1.40 -0.09 0.00 -0.57 0.00 0.00 43.02 40.79 1t3f s PHE 126 CO -0.04 0.46 0.82 -1.25 -0.10 0.00 0.00 175.22 175.11 1t3f s PRO 127 N -2.43 4.41 -0.68 0.24 0.04 -1.26 -0.40 135.00 134.92 1t3f s PRO 127 Ca 0.23 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 62.26 1t3f s PRO 127 Cb -0.10 -2.87 0.18 0.00 0.04 0.00 0.00 34.50 31.74 1t3f s PRO 127 CO 0.15 0.36 0.56 -0.51 0.04 0.00 0.00 177.00 177.60 1t3f s LEU 128 N -1.95 5.99 0.21 -3.56 1.43 0.07 -4.79 118.68 116.09 1t3f s LEU 128 Ca 0.45 -2.58 -0.28 0.00 -1.03 0.00 0.00 54.13 50.70 1t3f s LEU 128 Cb -0.18 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1t3f s LEU 128 CO 0.23 -0.53 0.87 0.00 0.23 0.00 0.00 176.35 177.14 1t3f s ALA 129 N 0.35 3.38 0.29 4.21 0.00 -1.26 -1.38 121.76 127.34 1t3f s ALA 129 Ca 0.15 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1t3f s ALA 129 Cb -0.18 -3.09 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1t3f s ALA 129 CO -0.05 0.25 1.37 -1.25 0.00 0.00 0.00 175.76 176.08 1t3f s PRO 130 N -1.22 4.31 0.72 0.00 0.04 -1.25 -4.90 135.00 132.70 1t3f s PRO 130 Ca 0.39 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 1t3f s PRO 130 Cb -0.24 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1t3f s PRO 130 CO 0.29 -0.31 1.19 0.45 0.04 0.00 0.00 177.00 178.66 1t3f s SER 131 N -0.03 4.38 0.18 6.66 0.15 -1.26 -4.44 113.70 119.34 1t3f s SER 131 Ca 0.54 2.28 -0.13 0.00 0.70 0.00 0.00 55.95 59.34 1t3f s SER 131 Cb -0.41 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.41 1t3f s SER 131 CO 0.48 -2.13 1.84 0.28 1.20 0.00 0.00 173.24 174.91 1t3f h SER 132 N -0.23 0.62 -4.42 5.45 0.02 -1.95 -3.47 113.55 109.58 1t3f h SER 132 Ca -0.47 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1t3f h SER 132 Cb 1.29 -0.15 -0.21 0.00 0.14 0.00 0.00 62.40 63.46 1t3f h SER 132 CO 0.51 0.45 0.39 -0.75 -1.14 0.00 0.00 176.83 176.28 1t3f s LYS 133 N -6.15 0.78 0.00 3.45 2.47 -1.26 -5.15 119.74 113.88 1t3f s LYS 133 Ca -0.13 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 1t3f s LYS 133 Cb 0.13 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.87 1t3f s LYS 133 CO 0.75 -0.23 0.00 -1.13 0.16 0.00 0.00 175.35 174.89 1t3f n SER 134 N 0.94 0.00 0.00 1.43 3.41 -1.26 -5.17 113.62 112.97 1t3f n SER 134 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1t3f n SER 134 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1t3f n SER 134 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1t3f n THR 135 N 0.00 0.00 -1.77 6.66 -1.04 -1.26 -4.62 114.28 112.25 1t3f n THR 135 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1t3f n THR 135 Cb 0.00 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.66 1t3f n THR 135 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1t3f n SER 136 N -0.59 2.48 0.00 8.00 7.64 -1.26 -5.09 113.62 124.80 1t3f n SER 136 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1t3f n SER 136 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1t3f n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3f n GLY 137 N -0.93 -0.50 1.90 0.23 0.00 -1.26 -4.99 105.19 99.64 1t3f n GLY 137 Ca 0.24 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1t3f n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t3f n GLY 138 N 0.00 5.87 3.12 -0.02 0.00 -1.26 -4.92 105.19 107.98 1t3f n GLY 138 Ca 0.00 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 1t3f n GLY 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t3f s THR 139 N -4.32 1.38 0.21 2.61 -4.23 -1.26 -1.99 115.64 108.04 1t3f s THR 139 Ca 0.54 -0.69 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1t3f s THR 139 Cb 0.44 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 1t3f s THR 139 CO 0.02 0.40 -0.03 0.00 -0.54 0.00 0.00 174.62 174.46 1t3f s ALA 140 N 0.07 3.10 0.01 3.99 0.00 0.22 -4.75 121.76 124.40 1t3f s ALA 140 Ca -0.04 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1t3f s ALA 140 Cb -0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1t3f s ALA 140 CO 0.02 0.39 -0.13 0.00 0.00 0.00 0.00 175.76 176.04 1t3f s ALA 141 N -1.96 2.77 0.28 0.00 0.00 -1.26 -1.25 121.76 120.34 1t3f s ALA 141 Ca 0.28 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1t3f s ALA 141 Cb -0.08 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1t3f s ALA 141 CO 0.18 0.59 0.33 -0.48 0.00 0.00 0.00 175.76 176.37 1t3f s LEU 142 N -1.33 1.08 0.00 0.00 0.05 -0.61 -3.84 118.68 114.03 1t3f s LEU 142 Ca 0.15 -1.41 -0.19 0.00 0.05 0.00 0.00 54.13 52.74 1t3f s LEU 142 Cb -0.11 0.99 0.06 0.00 -2.05 0.00 0.00 46.19 45.09 1t3f s LEU 142 CO 0.05 -1.08 0.84 0.61 -0.55 0.00 0.00 176.35 176.22 1t3f n GLY 143 N -0.45 0.24 3.09 -3.48 0.00 -0.48 -0.57 105.19 103.54 1t3f n GLY 143 Ca 0.02 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1t3f n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3f s LEU 145 N -0.31 3.78 -0.53 0.00 2.96 0.46 -1.65 118.68 123.39 1t3f s LEU 145 Ca 0.05 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1t3f s LEU 145 Cb -0.05 -2.04 0.13 0.00 0.50 0.00 0.00 46.19 44.74 1t3f s LEU 145 CO -0.00 -0.05 0.43 -0.69 -1.32 0.00 0.00 176.35 174.72 1t3f s VAL 146 N 1.70 4.57 -0.04 1.68 1.01 0.12 -0.46 120.40 128.97 1t3f s VAL 146 Ca 0.07 -1.85 0.05 0.00 0.00 0.00 0.00 61.98 60.25 1t3f s VAL 146 Cb -0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1t3f s VAL 146 CO 0.08 -0.83 -0.18 -0.75 0.00 0.00 0.00 175.10 173.41 1t3f s LYS 147 N 1.22 2.37 -0.54 2.72 2.20 0.10 -0.73 119.74 127.08 1t3f s LYS 147 Ca 0.07 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1t3f s LYS 147 Cb -0.25 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1t3f s LYS 147 CO -0.01 0.60 0.47 -0.25 -0.36 0.00 0.00 175.35 175.81 1t3f n ASP 148 N 2.35 -4.23 -4.44 1.43 8.00 0.02 -0.93 116.55 118.75 1t3f n ASP 148 Ca -0.17 -0.36 -0.22 0.00 0.71 0.00 0.00 54.79 54.75 1t3f n ASP 148 Cb 0.52 -2.90 -0.10 0.00 -0.02 0.00 0.00 41.12 38.61 1t3f n ASP 148 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1t3f s TYR 149 N -3.20 2.08 -0.18 1.24 1.13 -0.81 -4.29 117.35 113.31 1t3f s TYR 149 Ca 0.22 -0.47 -0.23 0.00 -1.41 0.00 0.00 57.07 55.18 1t3f s TYR 149 Cb -0.03 -0.99 0.06 0.00 -1.10 0.00 0.00 41.96 39.90 1t3f s TYR 149 CO 0.38 0.53 0.61 0.12 -2.51 0.00 0.00 175.55 174.68 1t3f s PHE 150 N -2.73 -0.64 0.49 -3.49 5.36 -0.30 -0.22 117.98 116.44 1t3f s PHE 150 Ca 0.28 1.47 -0.05 0.00 -0.96 0.00 0.00 56.93 57.66 1t3f s PHE 150 Cb -0.02 0.25 0.11 0.00 -0.34 0.00 0.00 43.02 43.02 1t3f s PHE 150 CO 0.12 -0.38 0.66 -0.35 -1.46 0.00 0.00 175.22 173.81 1t3f n PRO 151 N 2.32 -0.31 -0.86 10.12 -0.04 -1.26 -1.41 135.00 143.55 1t3f n PRO 151 Ca -0.15 -1.32 -0.31 0.00 -0.04 0.00 0.00 63.50 61.68 1t3f n PRO 151 Cb 0.56 -0.59 0.15 0.00 -0.04 0.00 0.00 33.50 33.58 1t3f n PRO 151 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1t3f s GLU 152 N -4.31 1.18 0.60 0.54 2.02 -1.26 -4.75 118.70 112.72 1t3f s GLU 152 Ca 0.40 1.34 0.07 0.00 0.02 0.00 0.00 54.97 56.80 1t3f s GLU 152 Cb -0.02 -1.76 0.11 0.00 0.10 0.00 0.00 34.13 32.56 1t3f s GLU 152 CO 0.27 -2.45 0.83 -0.35 0.02 0.00 0.00 175.26 173.59 1t3f n PRO 153 N -4.09 0.45 -4.56 0.39 -0.04 -1.26 -4.97 135.00 120.92 1t3f n PRO 153 Ca 0.10 -2.99 -0.22 0.00 -0.04 0.00 0.00 63.50 60.36 1t3f n PRO 153 Cb 0.53 -0.33 -0.15 0.00 -0.04 0.00 0.00 33.50 33.51 1t3f n PRO 153 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1t3f s VAL 154 N -2.65 1.11 0.01 0.52 0.11 -1.26 -4.51 120.40 113.73 1t3f s VAL 154 Ca 0.61 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1t3f s VAL 154 Cb -0.05 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1t3f s VAL 154 CO 0.39 0.22 0.00 0.42 -3.33 0.00 0.00 175.10 172.81 1t3f s THR 155 N -0.48 4.15 -0.06 5.04 -4.23 -0.37 -4.99 115.64 114.70 1t3f s THR 155 Ca 0.04 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1t3f s THR 155 Cb -0.06 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 70.92 1t3f s THR 155 CO 0.00 0.34 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.60 1t3f s VAL 156 N -1.12 1.14 0.34 2.29 1.01 -1.26 -1.60 120.40 121.19 1t3f s VAL 156 Ca 0.21 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1t3f s VAL 156 Cb -0.12 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 1t3f s VAL 156 CO 0.12 0.35 0.02 -0.94 0.00 0.00 0.00 175.10 174.65 1t3f s SER 157 N 0.54 2.84 -0.07 3.32 1.04 -0.46 -4.96 113.70 115.95 1t3f s SER 157 Ca -0.12 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.02 1t3f s SER 157 Cb -0.15 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.79 1t3f s SER 157 CO 0.03 -0.51 -0.20 0.26 0.98 0.00 0.00 173.24 173.80 1t3f s TRP 158 N -3.08 2.13 -1.54 5.02 0.52 -1.26 -0.28 118.94 120.46 1t3f s TRP 158 Ca 0.35 -0.76 -0.12 0.00 0.02 0.00 0.00 56.10 55.59 1t3f s TRP 158 Cb 0.08 -1.44 0.08 0.00 -1.15 0.00 0.00 33.47 31.05 1t3f s TRP 158 CO 0.15 -0.29 0.85 0.09 0.02 0.00 0.00 176.95 177.77 1t3f n ASN 159 N 3.37 -3.58 -1.88 2.95 3.02 -0.16 -1.53 115.26 117.45 1t3f n ASN 159 Ca -0.19 -0.86 -0.18 0.00 -0.03 0.00 0.00 54.58 53.32 1t3f n ASN 159 Cb 0.53 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.12 1t3f n ASN 159 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1t3f n SER 160 N -2.83 -5.13 0.00 6.41 7.64 -1.26 -1.45 113.62 117.00 1t3f n SER 160 Ca -0.03 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1t3f n SER 160 Cb 0.55 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 1t3f n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3f n GLY 161 N -0.98 1.59 0.25 0.23 0.00 -0.58 -4.94 105.19 100.76 1t3f n GLY 161 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1t3f n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3f h ALA 162 N 0.00 1.43 -3.31 4.61 0.00 -1.20 -3.40 119.26 117.39 1t3f h ALA 162 Ca 0.00 -0.12 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 1t3f h ALA 162 Cb 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.46 1t3f h ALA 162 CO 0.00 0.17 -0.67 -1.17 0.00 0.00 0.00 179.25 177.58 1t3f s LEU 163 N -7.74 3.93 0.00 0.00 2.96 -0.95 -4.91 118.68 111.97 1t3f s LEU 163 Ca -0.03 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.76 1t3f s LEU 163 Cb 0.14 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 45.06 1t3f s LEU 163 CO 0.62 -0.26 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 1t3f n THR 164 N 4.72 0.00 -2.33 3.68 -2.24 -1.26 -4.14 114.28 112.71 1t3f n THR 164 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1t3f n THR 164 Cb 0.45 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1t3f n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1t3f s SER 165 N -2.75 7.03 0.00 3.42 0.15 -1.26 -2.20 113.70 118.09 1t3f s SER 165 Ca 0.00 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.92 1t3f s SER 165 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1t3f s SER 165 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1t3f n GLY 166 N 2.31 1.23 3.72 9.45 0.00 -1.26 -4.77 105.19 115.87 1t3f n GLY 166 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1t3f n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t3f s VAL 167 N -3.45 4.90 -0.11 1.61 1.01 -0.94 -2.52 120.40 120.90 1t3f s VAL 167 Ca 0.00 1.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.79 1t3f s VAL 167 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1t3f s VAL 167 CO 0.00 0.22 -0.08 -1.00 0.00 0.00 0.00 175.10 174.24 1t3f s HIS 168 N 0.80 1.51 -0.22 5.22 3.76 -0.20 -4.99 115.29 121.17 1t3f s HIS 168 Ca 0.46 -0.76 -0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1t3f s HIS 168 Cb -0.20 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 1t3f s HIS 168 CO 0.24 -0.52 0.01 0.99 -0.85 0.00 0.00 174.74 174.62 1t3f s THR 169 N 1.68 3.92 0.34 1.30 2.01 -1.26 -0.90 115.64 122.73 1t3f s THR 169 Ca 0.05 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.68 1t3f s THR 169 Cb -0.13 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1t3f s THR 169 CO -0.08 0.40 0.62 -0.36 -0.69 0.00 0.00 174.62 174.51 1t3f s PHE 170 N 1.29 3.49 0.29 4.92 0.40 -0.04 -5.01 117.98 123.33 1t3f s PHE 170 Ca 0.04 0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 56.75 1t3f s PHE 170 Cb -0.15 -2.15 -0.13 0.00 0.51 0.00 0.00 43.02 41.11 1t3f s PHE 170 CO 0.01 0.06 1.38 -2.30 0.70 0.00 0.00 175.22 175.08 1t3f n PRO 171 N -1.30 2.17 -1.70 0.24 -0.02 -1.26 -4.61 135.00 128.52 1t3f n PRO 171 Ca -0.01 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1t3f n PRO 171 Cb 0.54 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1t3f n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3f s ALA 172 N -0.53 2.33 0.05 3.55 0.00 -1.26 -4.78 121.76 121.12 1t3f s ALA 172 Ca 0.62 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1t3f s ALA 172 Cb -0.59 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1t3f s ALA 172 CO 0.55 -1.52 -0.03 0.14 0.00 0.00 0.00 175.76 174.91 1t3f s VAL 173 N -1.90 3.89 -0.29 0.00 -7.23 -0.26 -4.95 120.40 109.66 1t3f s VAL 173 Ca 0.74 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.89 1t3f s VAL 173 Cb -0.28 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1t3f s VAL 173 CO 0.40 0.25 0.42 -0.22 -0.31 0.00 0.00 175.10 175.65 1t3f s LEU 174 N -1.88 4.12 0.72 1.32 2.96 -1.26 -1.57 118.68 123.09 1t3f s LEU 174 Ca 0.21 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1t3f s LEU 174 Cb -0.11 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.15 1t3f s LEU 174 CO 0.13 -0.26 1.05 -1.10 -1.32 0.00 0.00 176.35 174.85 1t3f s GLN 175 N 2.16 2.23 0.43 1.98 -0.21 -0.37 -4.98 119.66 120.91 1t3f s GLN 175 Ca 0.16 -0.12 0.22 0.00 0.02 0.00 0.00 55.36 55.64 1t3f s GLN 175 Cb -0.16 -2.12 0.93 0.00 1.00 0.00 0.00 33.01 32.67 1t3f s GLN 175 CO 0.10 -1.27 1.85 0.66 -2.12 0.00 0.00 175.29 174.51 1t3f h SER 176 N -0.67 0.00 0.17 5.90 4.64 -1.98 -2.03 113.55 119.57 1t3f h SER 176 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1t3f h SER 176 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1t3f h SER 176 CO 0.62 0.27 0.00 0.77 -0.87 0.00 0.00 176.83 177.61 1t3f h SER 177 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 1t3f h SER 177 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t3f h SER 177 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1t3f h SER 177 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1t3f n GLY 178 N -0.96 0.64 3.89 -0.77 0.00 -0.76 -4.96 105.19 102.28 1t3f n GLY 178 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1t3f n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t3f s LEU 179 N 0.00 4.15 0.29 0.99 1.43 -1.26 -4.84 118.68 119.44 1t3f s LEU 179 Ca 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1t3f s LEU 179 Cb 0.00 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1t3f s LEU 179 CO 0.00 0.06 0.53 -0.31 0.23 0.00 0.00 176.35 176.86 1t3f s TYR 180 N -1.74 3.49 -0.01 0.29 1.51 0.69 -1.23 117.35 120.34 1t3f s TYR 180 Ca 0.33 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.93 1t3f s TYR 180 Cb -0.11 -2.02 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1t3f s TYR 180 CO 0.27 0.18 -0.02 0.45 -1.11 0.00 0.00 175.55 175.32 1t3f s SER 181 N -3.38 0.33 0.02 2.29 0.15 -0.61 -0.80 113.70 111.69 1t3f s SER 181 Ca 0.42 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1t3f s SER 181 Cb -0.10 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1t3f s SER 181 CO 0.32 -0.02 -0.03 -0.22 1.20 0.00 0.00 173.24 174.49 1t3f s LEU 182 N 0.33 2.16 0.09 3.45 0.20 0.10 -1.11 118.68 123.89 1t3f s LEU 182 Ca -0.03 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 54.54 1t3f s LEU 182 Cb -0.06 0.00 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 1t3f s LEU 182 CO -0.01 -0.17 -0.20 -0.94 -0.29 0.00 0.00 176.35 174.74 1t3f s SER 183 N -0.96 3.74 -0.05 3.68 1.04 -1.26 0.12 113.70 120.01 1t3f s SER 183 Ca -0.09 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1t3f s SER 183 Cb -0.07 -0.51 0.02 0.00 0.10 0.00 0.00 66.02 65.56 1t3f s SER 183 CO -0.00 0.21 -0.07 -0.55 0.98 0.00 0.00 173.24 173.81 1t3f s SER 184 N -1.85 1.14 0.25 7.02 0.15 -0.66 -0.86 113.70 118.89 1t3f s SER 184 Ca 0.16 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.68 1t3f s SER 184 Cb -0.10 -0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 1t3f s SER 184 CO 0.08 -0.02 -0.00 0.68 1.20 0.00 0.00 173.24 175.17 1t3f s VAL 185 N 0.79 1.12 -0.09 4.45 -7.23 -0.08 -0.15 120.40 119.21 1t3f s VAL 185 Ca -0.12 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 1t3f s VAL 185 Cb -0.15 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1t3f s VAL 185 CO 0.01 -0.28 0.26 0.54 -0.31 0.00 0.00 175.10 175.33 1t3f s VAL 186 N -3.36 0.01 -0.12 1.32 0.11 0.26 -1.04 120.40 117.58 1t3f s VAL 186 Ca 0.30 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1t3f s VAL 186 Cb 0.06 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1t3f s VAL 186 CO 0.10 -0.05 0.10 0.42 -3.33 0.00 0.00 175.10 172.34 1t3f s THR 187 N -0.09 5.16 0.11 5.04 -4.23 -1.05 -1.57 115.64 119.01 1t3f s THR 187 Ca -0.02 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1t3f s THR 187 Cb -0.03 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 1t3f s THR 187 CO 0.01 0.60 0.14 0.68 -0.54 0.00 0.00 174.62 175.50 1t3f s VAL 188 N -0.82 0.13 0.17 2.29 -7.23 -0.38 -4.67 120.40 109.89 1t3f s VAL 188 Ca 0.13 -1.51 -0.32 0.00 -1.81 0.00 0.00 61.98 58.47 1t3f s VAL 188 Cb -0.12 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 1t3f s VAL 188 CO 0.03 -0.61 1.78 -2.65 -0.31 0.00 0.00 175.10 173.34 1t3f n PRO 189 N -0.07 2.79 0.31 4.82 -0.02 -1.26 -0.61 135.00 140.96 1t3f n PRO 189 Ca -0.11 1.01 0.19 0.00 -2.02 0.00 0.00 63.50 62.56 1t3f n PRO 189 Cb 0.62 -2.88 1.04 0.00 -0.02 0.00 0.00 33.50 32.26 1t3f n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1t3f h SER 190 N 7.64 0.00 0.84 2.55 4.64 -1.70 -1.06 113.55 126.46 1t3f h SER 190 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1t3f h SER 190 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1t3f h SER 190 CO 0.95 0.00 -0.43 0.77 -0.87 0.00 0.00 176.83 177.25 1t3f h SER 191 N 0.00 0.00 0.61 4.97 4.64 -1.90 -2.82 113.55 119.05 1t3f h SER 191 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1t3f h SER 191 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1t3f h SER 191 CO -0.00 0.43 0.00 -1.54 -0.87 0.00 0.00 176.83 174.85 1t3f n SER 192 N -3.56 0.69 0.02 4.97 3.41 -0.40 -4.05 113.62 114.70 1t3f n SER 192 Ca -0.00 0.69 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 1t3f n SER 192 Cb 0.54 -0.83 0.39 0.00 -0.26 0.00 0.00 64.21 64.05 1t3f n SER 192 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1t3f h LEU 193 N 0.00 0.44 0.00 1.04 3.38 -1.58 -1.07 115.31 117.52 1t3f h LEU 193 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1t3f h LEU 193 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1t3f h LEU 193 CO 0.00 0.40 -0.32 1.23 0.09 0.00 0.00 178.44 179.84 1t3f h GLY 194 N 0.64 0.00 0.00 0.83 0.00 -1.82 -3.40 103.07 99.32 1t3f h GLY 194 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1t3f h GLY 194 CO -0.01 0.00 -1.50 -0.37 0.00 0.00 0.00 176.54 174.66 1t3f n THR 195 N -3.04 0.50 -3.59 4.70 5.66 -1.02 -5.01 114.28 112.48 1t3f n THR 195 Ca 0.02 -0.23 -0.36 0.00 -3.05 0.00 0.00 64.05 60.43 1t3f n THR 195 Cb 0.58 -0.82 -0.07 0.00 -1.55 0.00 0.00 70.33 68.47 1t3f n THR 195 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1t3f s GLN 196 N -2.17 4.23 0.29 1.09 2.00 -0.44 -5.07 119.66 119.59 1t3f s GLN 196 Ca -0.09 0.00 -0.22 0.00 -2.00 0.00 0.00 55.36 53.05 1t3f s GLN 196 Cb 0.03 -3.43 -0.09 0.00 0.80 0.00 0.00 33.01 30.31 1t3f s GLN 196 CO 0.24 0.24 0.84 -0.08 -0.50 0.00 0.00 175.29 176.03 1t3f s THR 197 N 0.48 4.41 -0.12 -0.34 -1.32 -1.26 -4.79 115.64 112.70 1t3f s THR 197 Ca 0.14 1.51 -0.00 0.00 -1.21 0.00 0.00 61.69 62.12 1t3f s THR 197 Cb -0.12 -3.88 0.03 0.00 -1.51 0.00 0.00 72.50 67.02 1t3f s THR 197 CO 0.02 0.10 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.15 1t3f s TYR 198 N -1.66 1.49 -0.08 9.09 2.02 -1.26 -4.97 117.35 121.98 1t3f s TYR 198 Ca 0.49 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1t3f s TYR 198 Cb -0.16 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1t3f s TYR 198 CO 0.21 -0.53 -0.16 0.42 -1.57 0.00 0.00 175.55 173.93 1t3f s ILE 199 N 1.71 1.40 -0.13 2.71 1.01 -1.26 -1.05 121.20 125.58 1t3f s ILE 199 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 1t3f s ILE 199 Cb -0.13 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1t3f s ILE 199 CO -0.08 0.41 0.26 0.00 0.00 0.00 0.00 174.94 175.54 1t3f s ASN 201 N -0.03 5.55 -0.10 0.00 -0.87 0.62 -1.24 114.94 118.87 1t3f s ASN 201 Ca 0.16 -0.82 -0.01 0.00 -1.57 0.00 0.00 52.86 50.63 1t3f s ASN 201 Cb -0.13 -1.98 -0.03 0.00 -0.02 0.00 0.00 41.25 39.09 1t3f s ASN 201 CO 0.05 -0.29 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.53 1t3f s VAL 202 N 1.55 3.68 -0.11 1.60 1.01 0.85 -1.35 120.40 127.63 1t3f s VAL 202 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1t3f s VAL 202 Cb -0.18 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1t3f s VAL 202 CO 0.06 0.56 -0.01 0.21 0.00 0.00 0.00 175.10 175.91 1t3f s ASN 203 N -0.28 2.07 -0.67 3.32 3.84 -0.63 -0.83 114.94 121.77 1t3f s ASN 203 Ca 0.04 -0.33 -0.04 0.00 0.21 0.00 0.00 52.86 52.74 1t3f s ASN 203 Cb -0.13 -0.58 0.17 0.00 -0.55 0.00 0.00 41.25 40.17 1t3f s ASN 203 CO 0.02 -0.21 0.50 -2.28 -2.79 0.00 0.00 177.10 172.35 1t3f s HIS 204 N 1.88 3.46 0.27 0.43 5.65 0.60 -1.24 115.29 126.33 1t3f s HIS 204 Ca 0.03 -2.65 -0.02 0.00 0.25 0.00 0.00 55.06 52.67 1t3f s HIS 204 Cb -0.14 -3.27 0.41 0.00 -1.18 0.00 0.00 32.58 28.40 1t3f s HIS 204 CO -0.07 -0.85 1.88 0.87 -0.65 0.00 0.00 174.74 175.92 1t3f h LYS 205 N 7.04 1.14 -0.52 2.88 1.57 -1.81 -1.61 116.57 125.27 1t3f h LYS 205 Ca 0.01 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1t3f h LYS 205 Cb 0.95 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1t3f h LYS 205 CO 0.72 0.75 0.35 -1.35 -0.57 0.00 0.00 179.45 179.36 1t3f h PRO 206 N 1.17 0.34 -0.34 3.15 0.11 -1.91 -1.53 132.00 133.00 1t3f h PRO 206 Ca 0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1t3f h PRO 206 Cb 0.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1t3f h PRO 206 CO -0.18 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 176.71 1t3f n SER 207 N -4.47 3.39 -3.70 -2.05 3.41 -1.12 -4.98 113.62 104.10 1t3f n SER 207 Ca 0.08 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.45 1t3f n SER 207 Cb 0.33 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1t3f n SER 207 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1t3f n ASN 208 N 1.46 -4.23 -4.31 4.04 5.03 -0.58 -4.87 115.26 111.81 1t3f n ASN 208 Ca 0.18 -0.69 -0.36 0.00 0.87 0.00 0.00 54.58 54.59 1t3f n ASN 208 Cb 0.60 -4.47 -0.13 0.00 -1.02 0.00 0.00 39.78 34.76 1t3f n ASN 208 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1t3f s THR 209 N -3.39 3.56 -0.05 3.41 2.01 -0.67 -5.01 115.64 115.50 1t3f s THR 209 Ca 0.42 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.80 1t3f s THR 209 Cb -0.20 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 1t3f s THR 209 CO 0.78 0.22 -0.24 -0.54 -0.69 0.00 0.00 174.62 174.15 1t3f s LYS 210 N 1.46 2.48 -0.00 4.92 1.02 -1.26 -0.30 119.74 128.06 1t3f s LYS 210 Ca 0.03 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1t3f s LYS 210 Cb -0.16 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1t3f s LYS 210 CO -0.01 0.43 -0.02 0.54 -0.92 0.00 0.00 175.35 175.37 1t3f s VAL 211 N -0.27 0.17 -0.23 3.17 0.11 -0.01 -5.00 120.40 118.34 1t3f s VAL 211 Ca -0.00 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1t3f s VAL 211 Cb -0.13 -0.17 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1t3f s VAL 211 CO 0.03 0.06 -0.03 -1.81 -3.33 0.00 0.00 175.10 170.02 1t3f s ASP 212 N 0.08 4.40 -0.24 3.54 1.01 -1.26 -0.10 116.67 124.09 1t3f s ASP 212 Ca -0.00 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.76 1t3f s ASP 212 Cb -0.02 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 42.18 1t3f s ASP 212 CO -0.00 -0.05 -0.07 -0.75 0.21 0.00 0.00 175.17 174.50 1t3f s LYS 213 N 1.46 2.86 -0.01 8.23 2.47 -0.37 -4.96 119.74 129.42 1t3f s LYS 213 Ca 0.05 -0.96 -0.30 0.00 -1.56 0.00 0.00 55.97 53.20 1t3f s LYS 213 Cb -0.15 -2.95 -0.03 0.00 -1.46 0.00 0.00 37.83 33.24 1t3f s LYS 213 CO -0.03 -0.38 1.01 0.21 0.16 0.00 0.00 175.35 176.32 1t3f s LYS 214 N 1.32 4.52 -0.13 4.03 2.20 -1.26 -1.21 119.74 129.22 1t3f s LYS 214 Ca 0.01 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 57.08 1t3f s LYS 214 Cb -0.16 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1t3f s LYS 214 CO -0.05 -0.11 -0.15 0.08 -0.36 0.00 0.00 175.35 174.75 1t3f s VAL 215 N 1.17 2.80 0.18 4.02 1.01 -0.22 -4.99 120.40 124.37 1t3f s VAL 215 Ca 0.52 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1t3f s VAL 215 Cb -0.22 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1t3f s VAL 215 CO 0.27 0.53 0.21 -1.83 0.00 0.00 0.00 175.10 174.28 1t3f s GLU 216 N 0.44 1.16 0.21 2.72 -1.05 -1.26 -4.38 118.70 116.54 1t3f s GLU 216 Ca -0.11 -1.37 -0.32 0.00 -0.15 0.00 0.00 54.97 53.02 1t3f s GLU 216 Cb -0.16 0.33 -0.14 0.00 -0.44 0.00 0.00 34.13 33.72 1t3f s GLU 216 CO 0.05 -0.40 1.38 -2.30 0.95 0.00 0.00 175.26 174.94 1t3f n PRO 217 N -0.22 1.85 0.00 -4.83 -0.02 -1.26 -4.40 135.00 126.13 1t3f n PRO 217 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1t3f n PRO 217 Cb 0.64 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1t3f n PRO 217 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t3f n LYS 218 N 2.20 0.00 -0.05 -0.52 3.00 -1.26 -5.01 118.16 116.52 1t3f n LYS 218 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.35 1t3f n LYS 218 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.29 1t3f n LYS 218 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1t3f n SER 219 N 0.00 1.43 0.00 3.14 7.64 -1.26 -5.05 113.62 119.51 1t3f n SER 219 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1t3f n SER 219 Cb 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1t3f n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03