#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfc s VAL 2 N 0.00 -0.14 0.07 6.31 1.01 -1.26 -4.07 120.40 122.31 3cfc s VAL 2 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3cfc s VAL 2 Cb 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.16 3cfc s VAL 2 CO 0.00 0.07 0.59 -1.59 0.00 0.00 0.00 175.10 174.17 3cfc s LYS 3 N 2.19 1.13 -0.04 2.72 -2.85 -0.75 -4.98 119.74 117.16 3cfc s LYS 3 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 54.82 3cfc s LYS 3 Cb -0.13 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 3cfc s LYS 3 CO -0.05 -0.43 -0.07 -0.51 0.10 0.00 0.00 175.35 174.39 3cfc s LEU 4 N -2.08 3.15 -0.15 2.77 1.43 -1.26 -1.51 118.68 121.02 3cfc s LEU 4 Ca -0.04 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3cfc s LEU 4 Cb -0.01 -1.73 0.05 0.00 0.03 0.00 0.00 46.19 44.53 3cfc s LEU 4 CO -0.03 0.33 0.02 -0.69 0.23 0.00 0.00 176.35 176.21 3cfc s VAL 5 N -0.88 0.51 0.22 -1.59 1.01 -0.02 -4.12 120.40 115.53 3cfc s VAL 5 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3cfc s VAL 5 Cb -0.11 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 3cfc s VAL 5 CO 0.04 -0.04 0.60 -1.61 0.00 0.00 0.00 175.10 174.08 3cfc s GLU 6 N 1.88 3.93 0.21 2.72 8.01 -1.26 -1.43 118.70 132.76 3cfc s GLU 6 Ca 0.01 0.46 -0.10 0.00 0.01 0.00 0.00 54.97 55.34 3cfc s GLU 6 Cb -0.15 -2.71 -0.01 0.00 -4.31 0.00 0.00 34.13 26.95 3cfc s GLU 6 CO -0.07 0.34 0.38 -1.54 0.01 0.00 0.00 175.26 174.38 3cfc s SER 7 N -2.10 -0.03 0.00 -0.19 1.04 -0.22 -4.75 113.70 107.46 3cfc s SER 7 Ca 0.45 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3cfc s SER 7 Cb -0.13 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3cfc s SER 7 CO 0.20 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3cfc n GLY 8 N -0.31 0.81 3.75 7.32 0.00 -1.26 -1.11 105.19 114.38 3cfc n GLY 8 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3cfc n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfc s GLY 9 N -1.94 2.11 0.00 -0.02 0.00 -1.26 -4.78 107.32 101.43 3cfc s GLY 9 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.32 3cfc s GLY 9 CO 0.00 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.68 3cfc n GLY 10 N -0.31 -0.80 3.82 0.20 0.00 -0.55 -4.89 105.19 102.66 3cfc n GLY 10 Ca 0.11 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 3cfc n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfc s LEU 11 N 0.00 4.47 -0.12 0.99 1.02 -1.26 -1.78 118.68 122.00 3cfc s LEU 11 Ca 0.00 1.21 -0.11 0.00 0.02 0.00 0.00 54.13 55.25 3cfc s LEU 11 Cb 0.00 -2.99 0.03 0.00 0.02 0.00 0.00 46.19 43.25 3cfc s LEU 11 CO 0.00 0.23 0.33 0.54 0.02 0.00 0.00 176.35 177.47 3cfc s VAL 12 N -1.21 -0.00 0.47 -1.59 0.11 -0.34 -4.96 120.40 112.87 3cfc s VAL 12 Ca 0.31 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 3cfc s VAL 12 Cb -0.18 -0.46 -0.08 0.00 -1.53 0.00 0.00 36.38 34.12 3cfc s VAL 12 CO 0.19 0.00 1.08 -0.54 -3.33 0.00 0.00 175.10 172.50 3cfc s LYS 13 N 0.25 3.82 0.28 1.54 1.02 -1.23 -0.83 119.74 124.58 3cfc s LYS 13 Ca -0.01 1.51 -0.28 0.00 0.02 0.00 0.00 55.97 57.21 3cfc s LYS 13 Cb -0.03 -2.25 -0.14 0.00 -0.52 0.00 0.00 37.83 34.89 3cfc s LYS 13 CO -0.00 -0.44 0.98 -2.30 -0.92 0.00 0.00 175.35 172.66 3cfc n PRO 14 N -0.71 1.24 0.00 -1.68 -0.01 -1.26 -0.99 135.00 131.59 3cfc n PRO 14 Ca 0.08 0.44 0.00 0.00 -0.01 0.00 0.00 63.50 64.01 3cfc n PRO 14 Cb 0.51 -1.78 0.00 0.00 -0.01 0.00 0.00 33.50 32.22 3cfc n PRO 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3cfc n GLY 15 N 1.30 2.70 3.78 -1.23 0.00 0.13 -4.91 105.19 106.96 3cfc n GLY 15 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3cfc n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfc s GLY 16 N -1.75 1.69 0.07 -0.02 0.00 -0.16 -3.99 107.32 103.15 3cfc s GLY 16 Ca 0.00 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 43.70 3cfc s GLY 16 CO 0.00 -0.27 -0.19 -1.35 0.00 0.00 0.00 173.10 171.30 3cfc s SER 17 N -4.44 2.25 -0.14 1.64 1.04 -1.26 -1.10 113.70 111.69 3cfc s SER 17 Ca 0.73 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 3cfc s SER 17 Cb -0.06 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 65.96 3cfc s SER 17 CO 0.54 0.07 0.34 -0.22 0.98 0.00 0.00 173.24 174.95 3cfc s LEU 18 N -1.54 0.26 -0.27 2.42 2.96 -0.28 -5.00 118.68 117.23 3cfc s LEU 18 Ca 0.05 0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 54.61 3cfc s LEU 18 Cb -0.09 1.11 -0.02 0.00 0.50 0.00 0.00 46.19 47.69 3cfc s LEU 18 CO 0.03 -0.17 0.09 -0.75 -1.32 0.00 0.00 176.35 174.23 3cfc s LYS 19 N 1.05 3.51 0.27 1.98 2.20 -1.26 -0.29 119.74 127.19 3cfc s LYS 19 Ca -0.07 -0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 54.80 3cfc s LYS 19 Cb -0.07 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 3cfc s LYS 19 CO -0.08 -0.27 0.69 -0.51 -0.36 0.00 0.00 175.35 174.82 3cfc s LEU 20 N 1.60 4.18 0.26 5.43 1.43 -0.18 -4.70 118.68 126.70 3cfc s LEU 20 Ca 0.05 1.25 0.12 0.00 -1.03 0.00 0.00 54.13 54.52 3cfc s LEU 20 Cb -0.16 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 3cfc s LEU 20 CO 0.04 -0.09 -0.21 -0.44 0.23 0.00 0.00 176.35 175.88 3cfc s SER 21 N -2.06 3.57 -0.05 2.29 0.01 -0.27 -1.56 113.70 115.62 3cfc s SER 21 Ca 0.49 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 3cfc s SER 21 Cb -0.13 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 65.84 3cfc s SER 21 CO 0.19 0.06 0.11 0.00 0.41 0.00 0.00 173.24 174.01 3cfc s THR 23 N 1.33 1.76 0.04 0.00 -4.23 -0.52 -1.11 115.64 112.91 3cfc s THR 23 Ca -0.07 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.30 3cfc s THR 23 Cb -0.12 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 3cfc s THR 23 CO -0.05 -0.20 0.04 0.00 -0.54 0.00 0.00 174.62 173.87 3cfc s ALA 24 N -2.93 0.12 -0.27 3.99 0.00 -1.26 -0.84 121.76 120.58 3cfc s ALA 24 Ca 0.32 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3cfc s ALA 24 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3cfc s ALA 24 CO 0.14 -0.30 0.12 -1.54 0.00 0.00 0.00 175.76 174.18 3cfc s SER 25 N -2.21 5.49 0.00 0.00 1.04 -0.57 -4.72 113.70 112.73 3cfc s SER 25 Ca -0.04 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3cfc s SER 25 Cb -0.01 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.11 3cfc s SER 25 CO -0.05 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3cfc n GLY 26 N 4.98 0.56 2.91 7.32 0.00 -1.26 -1.82 105.19 117.88 3cfc n GLY 26 Ca -0.15 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 3cfc n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfc s ILE 27 N -2.00 0.81 -0.54 -0.61 1.01 -1.26 -4.96 121.20 113.65 3cfc s ILE 27 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3cfc s ILE 27 Cb 0.00 -0.83 0.13 0.00 0.01 0.00 0.00 42.46 41.77 3cfc s ILE 27 CO 0.00 0.31 0.49 -0.89 0.00 0.00 0.00 174.94 174.85 3cfc s THR 28 N 1.30 5.14 0.38 2.92 2.01 -1.26 -4.73 115.64 121.38 3cfc s THR 28 Ca -0.04 -1.53 0.11 0.00 0.31 0.00 0.00 61.69 60.54 3cfc s THR 28 Cb -0.14 -4.30 0.33 0.00 0.01 0.00 0.00 72.50 68.41 3cfc s THR 28 CO -0.03 -0.86 1.88 -0.26 -0.69 0.00 0.00 174.62 174.66 3cfc h PHE 29 N 8.84 0.72 -0.04 4.92 0.04 -1.94 -0.88 116.94 128.60 3cfc h PHE 29 Ca -0.29 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.51 3cfc h PHE 29 Cb 1.10 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 3cfc h PHE 29 CO 0.73 0.27 0.12 0.66 -0.60 0.00 0.00 178.31 179.48 3cfc h SER 30 N 0.61 0.00 0.73 2.17 4.64 -1.92 -2.53 113.55 117.25 3cfc h SER 30 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3cfc h SER 30 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3cfc h SER 30 CO -0.18 0.00 -0.25 0.54 -0.87 0.00 0.00 176.83 176.07 3cfc n ARG 31 N -3.25 0.03 -4.23 4.77 1.74 -0.34 -4.62 116.66 110.77 3cfc n ARG 31 Ca -0.02 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3cfc n ARG 31 Cb 0.19 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3cfc n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cfc s TYR 32 N -2.98 1.17 -0.08 -1.55 2.02 -0.95 -4.84 117.35 110.13 3cfc s TYR 32 Ca 0.13 -0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 55.74 3cfc s TYR 32 Cb 0.18 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 41.09 3cfc s TYR 32 CO 0.61 0.02 1.57 0.42 -1.57 0.00 0.00 175.55 176.61 3cfc s ILE 33 N -3.39 3.73 0.04 2.71 1.01 -1.26 -3.54 121.20 120.49 3cfc s ILE 33 Ca 0.15 0.88 0.03 0.00 0.00 0.00 0.00 60.65 61.71 3cfc s ILE 33 Cb 0.03 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3cfc s ILE 33 CO -0.01 -0.09 -0.00 -0.04 0.00 0.00 0.00 174.94 174.80 3cfc s MET 34 N 3.96 2.67 0.14 2.79 -1.94 -0.28 -3.91 119.30 122.73 3cfc s MET 34 Ca 0.70 -0.72 0.02 0.00 -1.71 0.00 0.00 55.69 53.98 3cfc s MET 34 Cb -0.31 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 3cfc s MET 34 CO 0.26 0.59 -0.02 -1.12 -0.01 0.00 0.00 175.02 174.72 3cfc s SER 35 N -1.87 1.16 -0.03 3.03 0.01 -0.04 -0.84 113.70 115.11 3cfc s SER 35 Ca 0.22 -1.11 0.07 0.00 1.31 0.00 0.00 55.95 56.44 3cfc s SER 35 Cb -0.12 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 3cfc s SER 35 CO 0.14 -0.53 -0.23 0.26 0.41 0.00 0.00 173.24 173.28 3cfc s TRP 36 N -3.65 2.42 0.14 2.43 0.52 -0.02 -0.89 118.94 119.88 3cfc s TRP 36 Ca 0.19 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.94 3cfc s TRP 36 Cb 0.06 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 3cfc s TRP 36 CO 0.00 -0.02 -0.10 0.14 0.02 0.00 0.00 176.95 176.99 3cfc s VAL 37 N -0.57 1.16 0.02 4.03 -7.23 0.00 -0.80 120.40 117.01 3cfc s VAL 37 Ca 0.08 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3cfc s VAL 37 Cb -0.11 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3cfc s VAL 37 CO -0.00 -0.70 -0.02 0.00 -0.31 0.00 0.00 175.10 174.06 3cfc s ARG 38 N -3.56 0.34 -0.13 4.82 1.70 0.23 -0.69 118.95 121.64 3cfc s ARG 38 Ca 0.15 -0.64 0.02 0.00 -0.47 0.00 0.00 55.73 54.79 3cfc s ARG 38 Cb 0.01 0.12 0.02 0.00 -0.57 0.00 0.00 34.95 34.53 3cfc s ARG 38 CO 0.01 -0.06 -0.18 -1.14 -1.08 0.00 0.00 175.30 172.85 3cfc s GLN 39 N -1.60 2.58 0.02 3.89 0.74 0.19 -1.11 119.66 124.37 3cfc s GLN 39 Ca -0.15 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 54.61 3cfc s GLN 39 Cb -0.09 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.80 3cfc s GLN 39 CO -0.01 -0.10 -0.03 0.42 -0.55 0.00 0.00 175.29 175.02 3cfc s ILE 40 N 1.06 3.91 0.12 -2.34 1.09 -1.26 -1.43 121.20 122.35 3cfc s ILE 40 Ca -0.03 -0.76 -0.35 0.00 -1.10 0.00 0.00 60.65 58.41 3cfc s ILE 40 Cb -0.14 -2.75 -0.16 0.00 -1.06 0.00 0.00 42.46 38.34 3cfc s ILE 40 CO -0.05 0.33 1.28 -2.65 -0.10 0.00 0.00 174.94 173.75 3cfc n PRO 41 N 1.29 1.18 -0.40 2.79 -0.02 -1.26 -1.93 135.00 136.65 3cfc n PRO 41 Ca -0.14 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3cfc n PRO 41 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3cfc n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3cfc n GLU 42 N 2.25 0.00 -3.51 -0.52 1.02 -1.26 -4.90 120.64 113.72 3cfc n GLU 42 Ca 0.17 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 3cfc n GLU 42 Cb 0.21 -4.08 -0.03 0.00 -0.02 0.00 0.00 31.44 27.53 3cfc n GLU 42 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cfc s LYS 43 N -0.80 3.56 0.46 3.49 1.02 -0.81 -5.07 119.74 121.58 3cfc s LYS 43 Ca 0.00 -0.20 -0.20 0.00 0.02 0.00 0.00 55.97 55.59 3cfc s LYS 43 Cb 0.00 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.48 3cfc s LYS 43 CO 0.00 0.29 0.96 -0.98 -0.92 0.00 0.00 175.35 174.70 3cfc s ARG 44 N -3.57 4.13 0.27 1.68 1.70 -1.26 -4.53 118.95 117.36 3cfc s ARG 44 Ca 0.41 1.08 -0.28 0.00 -0.47 0.00 0.00 55.73 56.47 3cfc s ARG 44 Cb -0.11 -2.16 -0.15 0.00 -0.57 0.00 0.00 34.95 31.96 3cfc s ARG 44 CO 0.30 -0.12 0.79 -0.11 -1.08 0.00 0.00 175.30 175.09 3cfc n LEU 45 N -0.93 0.52 -4.01 -1.89 7.94 -1.26 -4.73 117.00 112.64 3cfc n LEU 45 Ca 0.07 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.84 3cfc n LEU 45 Cb 0.54 -1.15 -0.17 0.00 0.53 0.00 0.00 43.42 43.17 3cfc n LEU 45 CO 0.40 -2.10 -0.47 -0.70 -1.11 0.00 0.00 177.39 173.40 3cfc s GLU 46 N -1.35 1.88 0.27 1.96 2.12 -0.27 -4.98 118.70 118.34 3cfc s GLU 46 Ca 0.61 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 3cfc s GLU 46 Cb -0.78 -1.65 -0.09 0.00 0.26 0.00 0.00 34.13 31.86 3cfc s GLU 46 CO 0.58 -0.08 1.21 -0.46 -0.54 0.00 0.00 175.26 175.96 3cfc s TRP 47 N 1.06 3.35 -0.09 5.30 -0.00 -1.26 -0.60 118.94 126.69 3cfc s TRP 47 Ca -0.06 1.51 0.01 0.00 -0.00 0.00 0.00 56.10 57.55 3cfc s TRP 47 Cb -0.15 -3.47 -0.06 0.00 -0.00 0.00 0.00 33.47 29.80 3cfc s TRP 47 CO -0.02 -1.22 -0.07 0.28 -0.00 0.00 0.00 176.95 175.92 3cfc n VAL 48 N 1.45 0.50 -3.58 5.86 0.31 0.02 -4.74 118.33 118.14 3cfc n VAL 48 Ca 0.01 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.04 3cfc n VAL 48 Cb 0.44 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.50 3cfc n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cfc s ALA 49 N -2.17 -1.94 0.06 3.52 0.00 -0.93 -4.20 121.76 116.09 3cfc s ALA 49 Ca -0.11 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.48 3cfc s ALA 49 Cb 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3cfc s ALA 49 CO 0.20 -0.30 -0.08 -1.12 0.00 0.00 0.00 175.76 174.46 3cfc s SER 50 N -1.05 1.00 -0.06 0.00 0.01 -0.39 -0.84 113.70 112.38 3cfc s SER 50 Ca -0.01 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.58 3cfc s SER 50 Cb -0.01 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.29 3cfc s SER 50 CO 0.01 -0.27 -0.07 -0.51 0.41 0.00 0.00 173.24 172.82 3cfc s ILE 51 N -2.00 0.77 0.85 1.44 2.07 -0.02 -1.36 121.20 122.95 3cfc s ILE 51 Ca -0.03 -0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 58.85 3cfc s ILE 51 Cb -0.06 -0.77 0.11 0.00 0.13 0.00 0.00 42.46 41.87 3cfc s ILE 51 CO -0.01 0.29 1.21 -0.94 -1.91 0.00 0.00 174.94 173.58 3cfc s SER 52 N 1.07 4.15 0.32 4.50 1.04 -0.04 -1.13 113.70 123.62 3cfc s SER 52 Ca -0.08 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.00 3cfc s SER 52 Cb -0.14 -1.01 0.58 0.00 0.10 0.00 0.00 66.02 65.55 3cfc s SER 52 CO -0.01 -2.12 1.95 -1.28 0.98 0.00 0.00 173.24 172.76 3cfc h SER 53 N -1.20 0.83 -0.01 7.02 0.87 -1.81 -0.85 113.55 118.40 3cfc h SER 53 Ca -0.46 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3cfc h SER 53 Cb 1.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3cfc h SER 53 CO 0.58 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 178.05 3cfc n GLY 54 N -1.42 -0.89 1.10 5.77 0.00 -1.26 -4.90 105.19 103.60 3cfc n GLY 54 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3cfc n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfc n GLY 55 N 0.93 0.70 3.71 -0.02 0.00 -0.32 -5.05 105.19 105.13 3cfc n GLY 55 Ca 0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3cfc n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfc s ILE 56 N -2.00 4.59 0.08 -0.61 1.01 -1.26 -4.75 121.20 118.27 3cfc s ILE 56 Ca 0.00 1.86 0.04 0.00 0.00 0.00 0.00 60.65 62.55 3cfc s ILE 56 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3cfc s ILE 56 CO 0.00 0.13 0.05 0.42 0.00 0.00 0.00 174.94 175.54 3cfc s THR 57 N 1.15 4.37 -0.03 2.92 -4.23 -1.26 -0.86 115.64 117.70 3cfc s THR 57 Ca 0.54 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3cfc s THR 57 Cb -0.23 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.53 3cfc s THR 57 CO 0.27 0.13 0.07 -0.31 -0.54 0.00 0.00 174.62 174.24 3cfc s TYR 58 N -1.36 -0.06 -0.02 3.99 1.51 -0.46 -5.00 117.35 115.95 3cfc s TYR 58 Ca 0.28 0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.47 3cfc s TYR 58 Cb -0.12 -0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.68 3cfc s TYR 58 CO 0.21 -0.07 0.17 0.71 -1.11 0.00 0.00 175.55 175.46 3cfc s TYR 59 N 0.49 -0.04 0.77 2.71 2.02 -1.26 -1.26 117.35 120.78 3cfc s TYR 59 Ca -0.04 0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 56.61 3cfc s TYR 59 Cb -0.05 -0.00 0.06 0.00 -0.40 0.00 0.00 41.96 41.56 3cfc s TYR 59 CO -0.02 -0.26 1.14 -1.25 -1.57 0.00 0.00 175.55 173.60 3cfc s PRO 60 N -1.05 2.24 0.53 -1.71 0.04 -1.26 -4.82 135.00 128.98 3cfc s PRO 60 Ca -0.11 0.19 0.27 0.00 0.04 0.00 0.00 61.00 61.39 3cfc s PRO 60 Cb -0.06 -1.99 1.52 0.00 0.04 0.00 0.00 34.50 34.01 3cfc s PRO 60 CO 0.02 -1.41 2.11 -0.44 0.04 0.00 0.00 177.00 177.32 3cfc h ASP 61 N -0.91 0.00 0.18 6.66 3.32 -1.97 -1.38 116.42 122.33 3cfc h ASP 61 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3cfc h ASP 61 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3cfc h ASP 61 CO 0.65 0.09 -0.14 0.77 -1.72 0.00 0.00 179.24 178.90 3cfc h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.97 -3.31 113.55 119.36 3cfc h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cfc h SER 62 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3cfc h SER 62 CO 0.01 0.14 -0.23 1.33 -0.87 0.00 0.00 176.83 177.20 3cfc n VAL 63 N -4.16 0.00 -1.71 0.95 0.24 -0.99 -5.02 118.33 107.64 3cfc n VAL 63 Ca -0.02 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.60 3cfc n VAL 63 Cb 0.21 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 3cfc n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3cfc n LYS 64 N -0.84 2.43 0.00 7.34 4.81 -0.56 -1.11 118.16 130.23 3cfc n LYS 64 Ca 0.00 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3cfc n LYS 64 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.42 3cfc n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cfc n GLY 65 N 2.74 1.95 0.24 3.14 0.00 -1.26 -4.81 105.19 107.19 3cfc n GLY 65 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 3cfc n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfc n ARG 66 N -2.00 0.05 -3.86 1.61 1.74 -0.27 -5.05 116.66 108.88 3cfc n ARG 66 Ca 0.00 0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 3cfc n ARG 66 Cb 0.00 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 3cfc n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3cfc s PHE 67 N -2.04 3.60 -0.05 -1.55 0.40 -0.56 -4.65 117.98 113.12 3cfc s PHE 67 Ca -0.03 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.86 3cfc s PHE 67 Cb 0.01 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.60 3cfc s PHE 67 CO 0.05 0.73 -0.13 0.99 0.70 0.00 0.00 175.22 177.55 3cfc s THR 68 N -1.06 1.16 -0.11 0.64 2.01 -0.13 -4.82 115.64 113.34 3cfc s THR 68 Ca 0.17 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 3cfc s THR 68 Cb -0.12 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3cfc s THR 68 CO 0.06 0.35 0.11 -0.51 -0.69 0.00 0.00 174.62 173.94 3cfc s ILE 69 N 0.42 5.24 0.21 1.82 2.07 -1.26 -0.30 121.20 129.40 3cfc s ILE 69 Ca -0.10 0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.06 3cfc s ILE 69 Cb -0.14 -3.28 0.02 0.00 0.13 0.00 0.00 42.46 39.20 3cfc s ILE 69 CO 0.03 0.60 0.53 -0.94 -1.91 0.00 0.00 174.94 173.25 3cfc s SER 70 N -1.05 -0.22 -0.06 4.50 1.04 -0.89 -5.00 113.70 112.02 3cfc s SER 70 Ca 0.15 -0.59 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 3cfc s SER 70 Cb -0.12 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.61 3cfc s SER 70 CO 0.04 -1.10 0.15 -0.60 0.98 0.00 0.00 173.24 172.72 3cfc s ARG 71 N -3.91 0.17 -0.45 4.02 3.52 -1.26 -0.66 118.95 120.39 3cfc s ARG 71 Ca 0.12 0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.83 3cfc s ARG 71 Cb -0.01 0.06 0.08 0.00 -1.56 0.00 0.00 34.95 33.52 3cfc s ARG 71 CO 0.01 -0.03 0.33 0.34 -0.81 0.00 0.00 175.30 175.13 3cfc s ASP 72 N 0.18 5.86 0.42 -2.12 -1.08 0.31 -4.96 116.67 115.28 3cfc s ASP 72 Ca -0.01 -1.50 0.21 0.00 -0.52 0.00 0.00 52.55 50.74 3cfc s ASP 72 Cb -0.02 -2.07 0.85 0.00 -1.46 0.00 0.00 42.92 40.22 3cfc s ASP 72 CO -0.00 -0.61 1.81 0.78 0.52 0.00 0.00 175.17 177.66 3cfc h ASN 73 N 8.56 0.00 0.02 -0.34 2.35 -1.97 0.29 115.58 124.50 3cfc h ASN 73 Ca -0.25 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.44 3cfc h ASN 73 Cb 1.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.47 3cfc h ASN 73 CO 0.83 0.29 -0.24 0.58 -1.65 0.00 0.00 177.43 177.23 3cfc h VAL 74 N 0.00 1.63 0.00 2.81 2.07 -1.96 -3.32 116.25 117.48 3cfc h VAL 74 Ca -0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3cfc h VAL 74 Cb 0.77 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 3cfc h VAL 74 CO 0.04 0.58 -0.31 0.54 0.02 0.00 0.00 177.57 178.44 3cfc n ARG 75 N -4.49 0.18 -3.00 1.57 1.74 -1.24 -4.98 116.66 106.44 3cfc n ARG 75 Ca -0.10 0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 3cfc n ARG 75 Cb 0.54 -1.66 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 3cfc n ARG 75 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3cfc n ASN 76 N -1.95 -5.26 -4.05 0.55 5.15 0.03 -5.03 115.26 104.70 3cfc n ASN 76 Ca 0.05 -0.58 -0.24 0.00 -0.60 0.00 0.00 54.58 53.21 3cfc n ASN 76 Cb 0.40 -4.43 -0.16 0.00 -0.53 0.00 0.00 39.78 35.07 3cfc n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3cfc s ILE 77 N -3.32 1.12 -0.11 -1.44 1.01 -0.83 -4.40 121.20 113.23 3cfc s ILE 77 Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 3cfc s ILE 77 Cb -0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3cfc s ILE 77 CO 0.62 0.34 0.03 -0.22 0.00 0.00 0.00 174.94 175.70 3cfc s LEU 78 N 0.33 3.70 0.12 2.97 2.96 -0.26 -0.53 118.68 127.97 3cfc s LEU 78 Ca -0.08 0.16 0.10 0.00 -0.22 0.00 0.00 54.13 54.09 3cfc s LEU 78 Cb -0.12 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3cfc s LEU 78 CO 0.02 0.34 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfc s TYR 79 N -0.66 2.04 -0.21 5.38 2.02 0.17 -0.62 117.35 125.48 3cfc s TYR 79 Ca 0.11 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3cfc s TYR 79 Cb -0.12 -1.10 0.05 0.00 -0.40 0.00 0.00 41.96 40.40 3cfc s TYR 79 CO 0.02 0.29 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.04 3cfc s LEU 80 N -2.07 2.36 -0.46 -1.29 2.96 -0.60 -2.10 118.68 117.49 3cfc s LEU 80 Ca 0.11 -0.98 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 3cfc s LEU 80 Cb -0.10 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.43 3cfc s LEU 80 CO 0.05 -0.18 0.68 -1.58 -1.32 0.00 0.00 176.35 174.00 3cfc s GLN 81 N 1.40 3.27 0.45 1.98 2.00 0.59 -1.01 119.66 128.34 3cfc s GLN 81 Ca -0.03 -0.41 0.01 0.00 -2.00 0.00 0.00 55.36 52.93 3cfc s GLN 81 Cb -0.17 -3.98 -0.00 0.00 0.80 0.00 0.00 33.01 29.66 3cfc s GLN 81 CO -0.07 -1.09 0.66 -1.64 -0.50 0.00 0.00 175.29 172.64 3cfc s MET 82 N 2.93 3.02 0.00 1.67 -1.94 0.60 -0.96 119.30 124.62 3cfc s MET 82 Ca 0.23 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3cfc s MET 82 Cb -0.14 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.11 3cfc s MET 82 CO 0.18 -0.27 0.00 0.43 -0.01 0.00 0.00 175.02 175.35 3cfc n SER 82 N -2.05 0.00 -4.75 3.03 7.64 -0.92 -1.13 113.62 115.44 3cfc n SER 82 Ca 0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 3cfc n SER 82 Cb 0.58 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.82 3cfc n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cfc s LEU 82 N -2.17 3.87 0.15 -3.43 1.43 -0.25 -4.58 118.68 113.69 3cfc s LEU 82 Ca 0.00 2.77 0.08 0.00 -1.03 0.00 0.00 54.13 55.95 3cfc s LEU 82 Cb 0.00 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 3cfc s LEU 82 CO 0.00 -1.53 -0.19 -0.13 0.23 0.00 0.00 176.35 174.73 3cfc s ARG 83 N -2.87 1.22 0.28 1.70 0.52 -1.26 0.19 118.95 118.74 3cfc s ARG 83 Ca 0.71 -1.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 3cfc s ARG 83 Cb -0.40 -1.33 0.62 0.00 0.52 0.00 0.00 34.95 34.35 3cfc s ARG 83 CO 0.48 0.28 1.76 1.03 0.02 0.00 0.00 175.30 178.87 3cfc h SER 84 N 3.48 0.57 0.35 0.23 0.87 -1.95 0.20 113.55 117.29 3cfc h SER 84 Ca -0.43 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3cfc h SER 84 Cb 1.20 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3cfc h SER 84 CO 0.48 0.21 0.00 -1.84 -0.53 0.00 0.00 176.83 175.15 3cfc n GLU 85 N -4.86 0.19 0.00 2.24 0.00 -1.26 -1.75 120.64 115.19 3cfc n GLU 85 Ca 0.19 0.15 0.14 0.00 0.00 0.00 0.00 57.16 57.64 3cfc n GLU 85 Cb 0.50 -1.50 0.63 0.00 0.00 0.00 0.00 31.44 31.07 3cfc n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3cfc n ASP 86 N -1.32 0.04 -4.68 -1.84 8.00 0.06 -4.85 116.55 111.96 3cfc n ASP 86 Ca 0.07 0.29 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 3cfc n ASP 86 Cb 0.14 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 3cfc n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cfc n THR 87 N -1.44 0.42 -3.57 -3.53 -1.04 -0.72 -4.89 114.28 99.51 3cfc n THR 87 Ca 0.09 -0.08 0.03 0.00 -2.04 0.00 0.00 64.05 62.05 3cfc n THR 87 Cb 0.32 -2.10 -0.00 0.00 -1.82 0.00 0.00 70.33 66.73 3cfc n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cfc s ALA 88 N 2.98 -2.44 -0.19 2.41 0.00 -0.65 -4.82 121.76 119.05 3cfc s ALA 88 Ca 0.84 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 53.50 3cfc s ALA 88 Cb -0.50 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3cfc s ALA 88 CO 0.39 -1.04 0.71 -1.17 0.00 0.00 0.00 175.76 174.65 3cfc s LEU 89 N -2.96 4.15 -0.17 0.00 2.96 -0.52 -1.27 118.68 120.87 3cfc s LEU 89 Ca 0.15 0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 54.96 3cfc s LEU 89 Cb 0.07 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3cfc s LEU 89 CO -0.06 -0.33 0.05 -0.31 -1.32 0.00 0.00 176.35 174.38 3cfc s TYR 90 N 2.05 3.23 0.09 5.38 1.51 -0.10 -0.64 117.35 128.87 3cfc s TYR 90 Ca 0.32 0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.54 3cfc s TYR 90 Cb -0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 3cfc s TYR 90 CO 0.11 0.18 -0.27 0.71 -1.11 0.00 0.00 175.55 175.17 3cfc s TYR 91 N 0.21 2.32 -0.08 2.71 1.51 0.13 -0.85 117.35 123.30 3cfc s TYR 91 Ca 0.03 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 3cfc s TYR 91 Cb -0.12 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.35 3cfc s TYR 91 CO 0.01 0.23 0.36 0.00 -1.11 0.00 0.00 175.55 175.04 3cfc s ALA 93 N -0.30 -0.43 -0.53 0.00 0.00 -0.07 -2.11 121.76 118.31 3cfc s ALA 93 Ca 0.21 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 3cfc s ALA 93 Cb -0.15 -0.38 0.13 0.00 0.00 0.00 0.00 23.12 22.72 3cfc s ALA 93 CO 0.09 -0.12 0.49 0.50 0.00 0.00 0.00 175.76 176.72 3cfc s ARG 94 N 0.49 2.98 0.27 0.00 3.00 -0.28 -0.86 118.95 124.55 3cfc s ARG 94 Ca -0.03 -1.69 0.23 0.00 -1.00 0.00 0.00 55.73 53.23 3cfc s ARG 94 Cb -0.05 -4.28 0.10 0.00 0.00 0.00 0.00 34.95 30.72 3cfc s ARG 94 CO -0.02 -1.31 1.21 0.78 0.00 0.00 0.00 175.30 175.95 3cfc h GLY 95 N 8.87 0.00 -2.28 8.12 0.00 -1.82 -1.97 103.07 114.00 3cfc h GLY 95 Ca -0.30 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.59 3cfc h GLY 95 CO 1.03 0.00 -0.16 1.20 0.00 0.00 0.00 176.54 178.60 3cfc s GLN 96 N -3.32 2.87 6.31 4.80 -1.52 -1.26 -4.52 119.66 123.03 3cfc s GLN 96 Ca 0.02 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 3cfc s GLN 96 Cb 0.08 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 3cfc s GLN 96 CO 0.76 -0.33 0.00 0.41 -0.25 0.00 0.00 175.29 175.87 3cfc n GLY 97 N -2.02 2.77 3.58 3.09 0.00 -1.26 -4.17 105.19 107.19 3cfc n GLY 97 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3cfc n GLY 97 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cfc s ARG 98 N 0.00 3.57 0.37 1.61 3.00 -1.26 -5.01 118.95 121.22 3cfc s ARG 98 Ca 0.00 0.30 -0.28 0.00 -1.00 0.00 0.00 55.73 54.75 3cfc s ARG 98 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 34.95 30.87 3cfc s ARG 98 CO 0.00 -1.54 1.37 -2.14 0.00 0.00 0.00 175.30 172.99 3cfc s PRO 101 N 4.62 4.16 0.05 5.12 0.02 -1.26 -4.89 135.00 142.82 3cfc s PRO 101 Ca 0.43 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.85 3cfc s PRO 101 Cb -0.08 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 3cfc s PRO 101 CO 0.27 -0.39 -0.20 0.71 -0.33 0.00 0.00 177.00 177.06 3cfc s TYR 102 N -1.16 1.76 0.11 6.54 2.02 -0.74 -4.99 117.35 120.89 3cfc s TYR 102 Ca 0.52 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3cfc s TYR 102 Cb -0.42 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3cfc s TYR 102 CO 0.55 0.10 0.11 1.67 -1.57 0.00 0.00 175.55 176.41 3cfc s TRP 103 N -0.85 0.55 0.00 2.71 -2.14 -1.26 -1.12 118.94 116.84 3cfc s TRP 103 Ca 0.07 -0.98 0.00 0.00 2.66 0.00 0.00 56.10 57.85 3cfc s TRP 103 Cb -0.09 -0.29 0.00 0.00 -3.10 0.00 0.00 33.47 29.99 3cfc s TRP 103 CO 0.02 -0.54 0.00 0.41 -2.66 0.00 0.00 176.95 174.18 3cfc n GLY 104 N -0.07 -0.84 0.16 3.67 0.00 -0.90 -4.55 105.19 102.67 3cfc n GLY 104 Ca -0.10 -1.67 0.10 0.00 0.00 0.00 0.00 46.02 44.35 3cfc n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3cfc h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -3.48 115.11 111.31 3cfc h GLN 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3cfc h GLN 105 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3cfc h GLN 105 CO 0.00 0.08 0.00 0.41 -0.00 0.00 0.00 178.83 179.32 3cfc n GLY 106 N 1.17 2.22 2.93 0.06 0.00 -1.26 -5.05 105.19 105.26 3cfc n GLY 106 Ca 0.01 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 3cfc n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cfc s THR 107 N -2.41 0.62 -0.01 2.61 -1.32 -0.03 -4.81 115.64 110.30 3cfc s THR 107 Ca 0.00 -0.20 -0.24 0.00 -1.21 0.00 0.00 61.69 60.04 3cfc s THR 107 Cb 0.00 -0.61 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 3cfc s THR 107 CO 0.00 0.23 0.72 -0.22 -2.21 0.00 0.00 174.62 173.15 3cfc s LEU 108 N 0.70 4.38 -0.20 9.08 2.96 -1.26 -0.92 118.68 133.42 3cfc s LEU 108 Ca -0.10 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3cfc s LEU 108 Cb -0.13 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.42 3cfc s LEU 108 CO 0.01 -0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 3cfc s VAL 109 N 0.35 2.70 -0.28 1.68 1.01 -0.40 -1.48 120.40 123.98 3cfc s VAL 109 Ca 0.38 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3cfc s VAL 109 Cb -0.19 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.06 3cfc s VAL 109 CO 0.20 0.48 -0.05 -0.89 0.00 0.00 0.00 175.10 174.85 3cfc s THR 110 N 1.36 2.56 -0.41 3.92 2.01 -0.73 -1.64 115.64 122.70 3cfc s THR 110 Ca 0.05 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.29 3cfc s THR 110 Cb -0.14 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.89 3cfc s THR 110 CO -0.08 -0.09 0.69 -0.69 -0.69 0.00 0.00 174.62 173.77 3cfc s VAL 111 N 1.17 4.79 -0.05 3.82 1.01 -1.26 -1.20 120.40 128.67 3cfc s VAL 111 Ca -0.07 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3cfc s VAL 111 Cb -0.20 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.09 3cfc s VAL 111 CO -0.03 -0.53 0.95 -0.55 0.00 0.00 0.00 175.10 174.93 3cfc s SER 112 N 1.96 -0.33 0.00 3.32 0.15 -0.01 -4.71 113.70 114.08 3cfc s SER 112 Ca 0.26 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.19 3cfc s SER 112 Cb -0.14 0.34 0.48 0.00 -1.71 0.00 0.00 66.02 65.00 3cfc s SER 112 CO 0.19 -0.53 1.43 -1.54 1.20 0.00 0.00 173.24 173.98 3cfc n SER 113 N -0.10 2.91 -4.86 5.45 3.41 -1.26 -3.58 113.62 115.59 3cfc n SER 113 Ca -0.08 -1.91 -0.30 0.00 -0.26 0.00 0.00 58.87 56.32 3cfc n SER 113 Cb 0.61 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 3cfc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfc s ALA 114 N -1.67 2.78 0.37 7.33 0.00 -1.26 -5.09 121.76 124.22 3cfc s ALA 114 Ca 0.36 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.14 3cfc s ALA 114 Cb 0.21 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 3cfc s ALA 114 CO 0.30 -1.20 0.33 0.15 0.00 0.00 0.00 175.76 175.34 3cfc s LYS 115 N -5.27 2.65 0.48 0.00 1.02 -1.26 -4.94 119.74 112.42 3cfc s LYS 115 Ca 0.58 -1.38 -0.21 0.00 0.02 0.00 0.00 55.97 54.98 3cfc s LYS 115 Cb -0.12 -2.44 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 3cfc s LYS 115 CO 0.53 -0.02 1.09 0.95 -0.92 0.00 0.00 175.35 176.98 3cfc s THR 116 N -2.37 3.46 -0.06 2.17 -4.23 -1.26 -4.81 115.64 108.54 3cfc s THR 116 Ca 0.44 0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 61.92 3cfc s THR 116 Cb -0.05 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.37 3cfc s THR 116 CO 0.27 -0.12 0.01 -0.89 -0.54 0.00 0.00 174.62 173.35 3cfc s THR 117 N -1.77 0.24 0.61 3.99 2.01 -0.24 -4.96 115.64 115.52 3cfc s THR 117 Ca 0.66 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 3cfc s THR 117 Cb -0.22 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 3cfc s THR 117 CO 0.26 0.22 1.04 -2.16 -0.69 0.00 0.00 174.62 173.30 3cfc s PRO 118 N 1.82 3.36 0.59 4.92 0.04 -1.26 -1.04 135.00 143.44 3cfc s PRO 118 Ca 0.02 1.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 3cfc s PRO 118 Cb -0.12 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3cfc s PRO 118 CO -0.04 -0.76 1.07 -1.25 0.04 0.00 0.00 177.00 176.05 3cfc s PRO 119 N -4.39 3.29 -0.01 0.56 0.04 -1.26 -4.47 135.00 128.75 3cfc s PRO 119 Ca 0.61 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 3cfc s PRO 119 Cb -0.14 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3cfc s PRO 119 CO 0.42 -0.84 0.38 -1.12 0.04 0.00 0.00 177.00 175.88 3cfc s SER 120 N -2.67 6.77 -0.16 6.66 0.01 0.43 -4.91 113.70 119.84 3cfc s SER 120 Ca 0.65 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.84 3cfc s SER 120 Cb -0.17 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 63.84 3cfc s SER 120 CO 0.36 0.33 -0.19 -0.69 0.41 0.00 0.00 173.24 173.46 3cfc s VAL 121 N -1.05 1.93 -0.05 3.43 1.01 -1.26 -0.69 120.40 123.72 3cfc s VAL 121 Ca 0.23 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3cfc s VAL 121 Cb -0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3cfc s VAL 121 CO 0.12 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.20 3cfc s TYR 122 N 1.19 2.28 0.45 5.22 2.02 0.96 -4.96 117.35 124.51 3cfc s TYR 122 Ca 0.01 -0.67 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 3cfc s TYR 122 Cb -0.14 -1.50 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 3cfc s TYR 122 CO -0.09 -0.20 1.03 -1.25 -1.57 0.00 0.00 175.55 173.47 3cfc s PRO 123 N -0.14 3.95 -0.28 -1.71 0.04 -1.26 -0.65 135.00 134.95 3cfc s PRO 123 Ca -0.03 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.42 3cfc s PRO 123 Cb -0.13 -2.24 0.07 0.00 0.04 0.00 0.00 34.50 32.24 3cfc s PRO 123 CO 0.03 -0.31 -0.07 -0.51 0.04 0.00 0.00 177.00 176.18 3cfc s LEU 124 N -3.20 3.66 0.07 -3.56 1.43 0.12 -4.86 118.68 112.34 3cfc s LEU 124 Ca 0.64 -1.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3cfc s LEU 124 Cb -0.17 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3cfc s LEU 124 CO 0.22 -0.23 -0.11 0.00 0.23 0.00 0.00 176.35 176.45 3cfc s ALA 125 N 1.08 1.00 0.60 4.21 0.00 -1.26 -0.83 121.76 126.56 3cfc s ALA 125 Ca -0.05 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 3cfc s ALA 125 Cb -0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3cfc s ALA 125 CO -0.06 0.05 1.01 -2.30 0.00 0.00 0.00 175.76 174.46 3cfc n PRO 126 N 1.08 0.95 -1.33 0.00 -0.02 -1.26 -4.99 135.00 129.43 3cfc n PRO 126 Ca -0.20 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 3cfc n PRO 126 Cb 0.55 -2.21 0.15 0.00 -0.02 0.00 0.00 33.50 31.97 3cfc n PRO 126 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3cfc s GLY 127 N -1.24 1.58 0.78 -1.23 0.00 -1.26 -5.01 107.32 100.94 3cfc s GLY 127 Ca 0.76 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.99 3cfc s GLY 127 CO 0.47 0.19 1.09 0.00 0.00 0.00 0.00 173.10 174.84 3cfc n GLY 129 N -1.37 1.40 3.76 0.00 0.00 -1.26 -5.09 105.19 102.63 3cfc n GLY 129 Ca 0.08 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3cfc n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cfc s ASP 130 N 0.00 5.83 0.34 1.61 1.01 -1.26 -5.00 116.67 119.20 3cfc s ASP 130 Ca 0.00 2.55 -0.10 0.00 0.71 0.00 0.00 52.55 55.70 3cfc s ASP 130 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 3cfc s ASP 130 CO 0.00 -1.17 0.69 0.28 0.21 0.00 0.00 175.17 175.18 3cfc s THR 133 N -1.40 4.82 -0.02 -1.27 -1.32 -1.26 -5.11 115.64 110.08 3cfc s THR 133 Ca 0.66 0.57 -0.24 0.00 -1.21 0.00 0.00 61.69 61.47 3cfc s THR 133 Cb -0.35 -3.69 0.05 0.00 -1.51 0.00 0.00 72.50 67.00 3cfc s THR 133 CO 0.42 -0.35 0.53 -0.89 -2.21 0.00 0.00 174.62 172.12 3cfc s THR 134 N -2.16 0.02 0.00 5.08 2.01 -1.26 -5.17 115.64 114.17 3cfc s THR 134 Ca 0.50 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3cfc s THR 134 Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.54 3cfc s THR 134 CO 0.27 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 3cfc n GLY 135 N 0.94 2.71 0.01 4.40 0.00 -1.26 -4.85 105.19 107.14 3cfc n GLY 135 Ca -0.20 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.18 3cfc n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cfc n SER 136 N 0.00 0.47 -4.39 1.61 3.41 -1.26 -4.72 113.62 108.74 3cfc n SER 136 Ca 0.00 -0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.30 3cfc n SER 136 Cb 0.00 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 3cfc n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cfc s SER 137 N -3.19 2.98 -0.01 4.04 1.04 -1.26 -0.90 113.70 116.40 3cfc s SER 137 Ca 0.11 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.54 3cfc s SER 137 Cb 0.17 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.10 3cfc s SER 137 CO 0.68 -0.07 -0.02 0.54 0.98 0.00 0.00 173.24 175.35 3cfc s VAL 138 N -2.70 0.19 -0.16 5.02 0.11 0.29 -4.61 120.40 118.55 3cfc s VAL 138 Ca 0.25 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.21 3cfc s VAL 138 Cb -0.03 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3cfc s VAL 138 CO 0.10 0.09 0.03 -0.89 -3.33 0.00 0.00 175.10 171.10 3cfc s THR 139 N 0.36 4.48 0.31 5.04 2.01 -1.26 -1.17 115.64 125.42 3cfc s THR 139 Ca -0.03 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.89 3cfc s THR 139 Cb -0.06 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 3cfc s THR 139 CO -0.01 0.49 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 3cfc s LEU 140 N 0.20 2.55 0.31 4.42 1.43 -0.31 -4.69 118.68 122.59 3cfc s LEU 140 Ca 0.02 -1.23 -0.16 0.00 -1.03 0.00 0.00 54.13 51.73 3cfc s LEU 140 Cb -0.13 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3cfc s LEU 140 CO 0.01 -0.34 0.68 -0.83 0.23 0.00 0.00 176.35 176.10 3cfc s GLY 141 N -3.51 0.30 -0.03 -3.19 0.00 -0.01 -1.18 107.32 99.69 3cfc s GLY 141 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.40 3cfc s GLY 141 CO 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 173.10 172.85 3cfc s LEU 143 N 0.50 4.14 -0.35 0.00 2.96 0.17 -1.79 118.68 124.32 3cfc s LEU 143 Ca -0.07 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3cfc s LEU 143 Cb -0.11 -2.19 0.10 0.00 0.50 0.00 0.00 46.19 44.49 3cfc s LEU 143 CO 0.00 0.06 0.06 -0.69 -1.32 0.00 0.00 176.35 174.46 3cfc s VAL 144 N 0.99 2.43 -0.06 1.68 1.01 -0.03 -0.03 120.40 126.40 3cfc s VAL 144 Ca 0.10 -2.26 0.06 0.00 0.00 0.00 0.00 61.98 59.89 3cfc s VAL 144 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3cfc s VAL 144 CO 0.04 -0.58 -0.25 -0.75 0.00 0.00 0.00 175.10 173.57 3cfc s LYS 145 N 0.95 2.52 -0.09 2.72 2.20 0.14 -0.90 119.74 127.28 3cfc s LYS 145 Ca 0.09 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 54.79 3cfc s LYS 145 Cb -0.20 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 3cfc s LYS 145 CO -0.07 0.39 0.07 0.41 -0.36 0.00 0.00 175.35 175.79 3cfc n GLY 146 N 2.92 0.72 3.63 5.54 0.00 0.22 -0.43 105.19 117.79 3cfc n GLY 146 Ca -0.17 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3cfc n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cfc s TYR 147 N -3.02 2.65 -0.24 1.61 1.13 -0.73 -4.48 117.35 114.26 3cfc s TYR 147 Ca 0.03 -0.26 -0.19 0.00 -1.41 0.00 0.00 57.07 55.24 3cfc s TYR 147 Cb -0.01 -1.23 0.07 0.00 -1.10 0.00 0.00 41.96 39.68 3cfc s TYR 147 CO 0.05 0.60 0.62 0.12 -2.51 0.00 0.00 175.55 174.42 3cfc s PHE 148 N -2.36 -0.78 0.37 -3.49 5.36 -0.20 -0.23 117.98 116.64 3cfc s PHE 148 Ca 0.32 1.76 -0.04 0.00 -0.96 0.00 0.00 56.93 58.00 3cfc s PHE 148 Cb -0.05 0.34 0.08 0.00 -0.34 0.00 0.00 43.02 43.05 3cfc s PHE 148 CO 0.20 -0.38 0.50 -0.35 -1.46 0.00 0.00 175.22 173.72 3cfc n PRO 149 N 3.31 -0.21 -0.98 10.12 -0.04 -1.26 -1.08 135.00 144.86 3cfc n PRO 149 Ca -0.16 -0.96 -0.31 0.00 -0.04 0.00 0.00 63.50 62.03 3cfc n PRO 149 Cb 0.56 -0.46 0.13 0.00 -0.04 0.00 0.00 33.50 33.70 3cfc n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cfc s GLU 150 N -3.94 1.65 0.41 0.54 0.41 -1.26 -4.82 118.70 111.69 3cfc s GLU 150 Ca 0.30 1.36 0.07 0.00 -0.41 0.00 0.00 54.97 56.29 3cfc s GLU 150 Cb -0.01 -1.81 -0.06 0.00 -1.78 0.00 0.00 34.13 30.46 3cfc s GLU 150 CO 0.21 -2.13 0.11 -1.12 -0.49 0.00 0.00 175.26 171.84 3cfc s SER 151 N -3.04 4.20 0.26 -0.19 0.01 -1.26 -4.94 113.70 108.74 3cfc s SER 151 Ca 0.64 -1.20 0.12 0.00 1.31 0.00 0.00 55.95 56.81 3cfc s SER 151 Cb -0.20 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 3cfc s SER 151 CO 0.57 -0.51 -0.20 0.68 0.41 0.00 0.00 173.24 174.19 3cfc s VAL 152 N -2.65 2.49 -0.06 3.43 -7.23 -1.26 -4.31 120.40 110.81 3cfc s VAL 152 Ca 0.38 -2.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3cfc s VAL 152 Cb 0.06 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3cfc s VAL 152 CO 0.21 -0.33 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.63 3cfc s THR 153 N -2.30 1.32 -0.13 5.32 2.01 -0.51 -4.99 115.64 116.36 3cfc s THR 153 Ca 0.28 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3cfc s THR 153 Cb -0.06 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 3cfc s THR 153 CO 0.14 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 3cfc s VAL 154 N 0.40 3.05 -0.07 3.82 1.01 -1.26 -0.84 120.40 126.51 3cfc s VAL 154 Ca -0.11 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3cfc s VAL 154 Cb -0.14 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3cfc s VAL 154 CO 0.04 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 3cfc s THR 156 N 0.36 2.02 -0.15 3.92 2.01 -0.07 -4.94 115.64 118.79 3cfc s THR 156 Ca -0.11 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 3cfc s THR 156 Cb -0.16 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3cfc s THR 156 CO 0.06 0.56 -0.01 0.26 -0.69 0.00 0.00 174.62 174.79 3cfc s TRP 157 N -0.02 3.08 -0.95 4.92 0.52 -1.26 -0.15 118.94 125.08 3cfc s TRP 157 Ca -0.08 -0.17 -0.15 0.00 0.02 0.00 0.00 56.10 55.72 3cfc s TRP 157 Cb -0.15 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 3cfc s TRP 157 CO 0.05 0.06 0.29 0.09 0.02 0.00 0.00 176.95 177.46 3cfc n ASN 162 N 3.36 -1.49 -3.87 2.95 4.13 -0.59 -0.10 115.26 119.65 3cfc n ASN 162 Ca -0.17 -0.92 -0.28 0.00 1.68 0.00 0.00 54.58 54.89 3cfc n ASN 162 Cb 0.53 -1.11 0.03 0.00 -1.54 0.00 0.00 39.78 37.68 3cfc n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3cfc n SER 163 N -1.50 -4.02 0.00 6.41 7.64 -1.26 -1.69 113.62 119.19 3cfc n SER 163 Ca -0.14 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.95 3cfc n SER 163 Cb 0.43 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 3cfc n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfc n GLY 164 N -1.68 1.43 0.00 0.23 0.00 0.86 -4.92 105.19 101.11 3cfc n GLY 164 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3cfc n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cfc n SER 165 N 0.00 0.00 -0.43 1.61 3.41 -0.68 -3.37 113.62 114.15 3cfc n SER 165 Ca 0.00 0.48 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 3cfc n SER 165 Cb 0.00 -0.49 0.19 0.00 -0.26 0.00 0.00 64.21 63.65 3cfc n SER 165 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3cfc n LEU 166 N -1.49 3.02 -0.28 1.04 4.77 -1.22 -4.88 117.00 117.96 3cfc n LEU 166 Ca 0.05 -3.02 0.10 0.00 -0.03 0.00 0.00 56.01 53.11 3cfc n LEU 166 Cb 0.25 -0.47 0.24 0.00 -2.33 0.00 0.00 43.42 41.12 3cfc n LEU 166 CO 0.20 0.69 0.95 0.77 -1.33 0.00 0.00 177.39 178.67 3cfc h SER 167 N 0.81 0.03 -0.10 -1.43 4.64 -1.84 -2.83 113.55 112.83 3cfc h SER 167 Ca 0.00 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3cfc h SER 167 Cb 1.18 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3cfc h SER 167 CO 0.10 -0.09 0.04 -1.28 -0.87 0.00 0.00 176.83 174.73 3cfc h SER 168 N 0.26 0.19 -0.52 4.97 0.87 -1.91 -2.99 113.55 114.42 3cfc h SER 168 Ca 0.49 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3cfc h SER 168 Cb 0.92 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 3cfc h SER 168 CO -0.58 0.20 0.00 -1.54 -0.53 0.00 0.00 176.83 174.38 3cfc n SER 169 N -4.44 5.23 -4.56 6.23 3.41 -1.07 -4.98 113.62 113.44 3cfc n SER 169 Ca -0.01 -2.84 -0.32 0.00 -0.26 0.00 0.00 58.87 55.45 3cfc n SER 169 Cb 0.13 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 3cfc n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cfc s VAL 171 N -2.58 3.42 -0.07 -3.33 1.01 -1.13 -2.10 120.40 115.63 3cfc s VAL 171 Ca 0.49 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3cfc s VAL 171 Cb 0.37 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3cfc s VAL 171 CO 0.14 0.38 -0.21 -1.00 0.00 0.00 0.00 175.10 174.41 3cfc s HIS 172 N -0.98 2.15 -0.28 5.22 3.76 -0.39 -4.98 115.29 119.79 3cfc s HIS 172 Ca 0.16 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.30 3cfc s HIS 172 Cb -0.11 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 32.16 3cfc s HIS 172 CO 0.07 -0.27 0.02 0.99 -0.85 0.00 0.00 174.74 174.70 3cfc s THR 173 N 0.14 3.47 -0.21 1.30 2.01 -1.26 -0.95 115.64 120.14 3cfc s THR 173 Ca -0.09 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.80 3cfc s THR 173 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 3cfc s THR 173 CO 0.05 0.08 0.53 -0.36 -0.69 0.00 0.00 174.62 174.23 3cfc s PHE 174 N 1.41 3.36 0.31 4.92 0.08 -0.24 -5.01 117.98 122.80 3cfc s PHE 174 Ca 0.01 0.78 -0.28 0.00 0.12 0.00 0.00 56.93 57.55 3cfc s PHE 174 Cb -0.17 -2.69 -0.13 0.00 -0.57 0.00 0.00 43.02 39.45 3cfc s PHE 174 CO -0.00 -0.13 1.18 -2.30 -0.10 0.00 0.00 175.22 173.86 3cfc n PRO 175 N 4.91 1.76 -1.94 0.24 -0.02 -1.26 -3.94 135.00 134.75 3cfc n PRO 175 Ca -0.04 0.62 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 3cfc n PRO 175 Cb 0.50 -2.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3cfc n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfc s ALA 176 N -0.96 2.49 0.00 3.55 0.00 -1.26 -4.82 121.76 120.77 3cfc s ALA 176 Ca 0.58 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.61 3cfc s ALA 176 Cb -0.64 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 3cfc s ALA 176 CO 0.60 -1.26 -0.21 -0.51 0.00 0.00 0.00 175.76 174.38 3cfc s LEU 177 N -4.21 2.40 -0.21 0.00 1.43 -0.12 -4.93 118.68 113.04 3cfc s LEU 177 Ca 0.77 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3cfc s LEU 177 Cb -0.30 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3cfc s LEU 177 CO 0.35 0.30 0.03 -0.22 0.23 0.00 0.00 176.35 177.04 3cfc s LEU 178 N -0.98 3.46 -0.09 1.79 2.96 -1.26 -1.43 118.68 123.12 3cfc s LEU 178 Ca 0.12 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3cfc s LEU 178 Cb -0.10 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.75 3cfc s LEU 178 CO 0.02 0.07 0.21 -1.10 -1.32 0.00 0.00 176.35 174.23 3cfc s GLN 179 N 0.96 0.14 -1.41 1.98 -1.52 -0.37 -4.90 119.66 114.54 3cfc s GLN 179 Ca 0.03 0.51 -0.05 0.00 -1.95 0.00 0.00 55.36 53.89 3cfc s GLN 179 Cb -0.14 -0.15 0.00 0.00 -0.22 0.00 0.00 33.01 32.51 3cfc s GLN 179 CO 0.02 -0.19 0.33 0.43 -0.25 0.00 0.00 175.29 175.64 3cfc n SER 180 N 4.46 -0.70 0.00 5.90 7.64 -1.26 -1.30 113.62 128.36 3cfc n SER 180 Ca -0.22 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.53 3cfc n SER 180 Cb 0.52 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 3cfc n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfc n GLY 183 N -2.18 0.70 3.22 0.23 0.00 -1.26 -4.99 105.19 100.91 3cfc n GLY 183 Ca -0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3cfc n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfc s LEU 184 N 0.00 2.21 0.12 0.99 1.43 -0.42 -4.80 118.68 118.21 3cfc s LEU 184 Ca 0.00 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 3cfc s LEU 184 Cb 0.00 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 3cfc s LEU 184 CO 0.00 0.08 0.36 -0.31 0.23 0.00 0.00 176.35 176.71 3cfc s TYR 185 N -0.94 3.49 -0.03 0.29 2.02 0.68 -1.23 117.35 121.63 3cfc s TYR 185 Ca 0.04 0.55 0.02 0.00 -0.37 0.00 0.00 57.07 57.31 3cfc s TYR 185 Cb -0.09 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3cfc s TYR 185 CO 0.02 0.46 -0.05 0.99 -1.57 0.00 0.00 175.55 175.40 3cfc s THR 186 N -1.61 0.53 0.23 -0.71 2.01 -0.52 -0.61 115.64 114.97 3cfc s THR 186 Ca 0.39 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.21 3cfc s THR 186 Cb -0.12 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 3cfc s THR 186 CO 0.24 0.19 0.10 0.00 -0.69 0.00 0.00 174.62 174.46 3cfc s MET 187 N 0.46 1.32 0.08 4.92 0.23 -0.08 -0.95 119.30 125.28 3cfc s MET 187 Ca -0.06 -1.70 -0.04 0.00 -1.03 0.00 0.00 55.69 52.86 3cfc s MET 187 Cb -0.10 -0.12 -0.02 0.00 -1.53 0.00 0.00 34.83 33.06 3cfc s MET 187 CO 0.00 -0.30 0.09 -1.54 -2.03 0.00 0.00 175.02 171.23 3cfc s SER 188 N -3.26 0.30 -0.00 -1.18 1.04 -1.25 -0.85 113.70 108.50 3cfc s SER 188 Ca 0.37 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.91 3cfc s SER 188 Cb 0.07 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 3cfc s SER 188 CO 0.12 -0.69 -0.05 -0.55 0.98 0.00 0.00 173.24 173.06 3cfc s SER 189 N -2.92 0.55 0.20 7.02 0.15 -0.74 -1.08 113.70 116.88 3cfc s SER 189 Ca 0.09 -0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.76 3cfc s SER 189 Cb 0.06 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 3cfc s SER 189 CO -0.08 0.05 -0.23 -0.94 1.20 0.00 0.00 173.24 173.25 3cfc s SER 190 N -0.14 3.31 0.02 5.45 1.04 -0.13 -1.49 113.70 121.77 3cfc s SER 190 Ca 0.02 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.58 3cfc s SER 190 Cb -0.02 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3cfc s SER 190 CO -0.00 0.08 -0.06 0.54 0.98 0.00 0.00 173.24 174.78 3cfc s VAL 191 N -1.83 0.41 -0.12 5.02 0.11 -0.33 -1.26 120.40 122.40 3cfc s VAL 191 Ca 0.21 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3cfc s VAL 191 Cb -0.07 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3cfc s VAL 191 CO 0.10 -0.23 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.58 3cfc s THR 192 N -0.93 2.62 0.11 5.04 2.01 -0.89 -1.16 115.64 122.45 3cfc s THR 192 Ca -0.07 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3cfc s THR 192 Cb -0.07 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3cfc s THR 192 CO 0.00 0.54 -0.08 0.68 -0.69 0.00 0.00 174.62 175.07 3cfc s VAL 193 N 0.38 0.86 0.33 3.82 -7.23 -0.32 -4.79 120.40 113.45 3cfc s VAL 193 Ca -0.14 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 57.81 3cfc s VAL 193 Cb -0.17 -1.68 -0.11 0.00 0.56 0.00 0.00 36.38 34.98 3cfc s VAL 193 CO 0.07 -0.80 1.54 -2.84 -0.31 0.00 0.00 175.10 172.76 3cfc s PRO 194 N -3.67 4.11 0.50 4.82 0.02 -1.26 -0.55 135.00 138.98 3cfc s PRO 194 Ca 0.12 2.58 0.28 0.00 0.02 0.00 0.00 61.00 64.00 3cfc s PRO 194 Cb 0.03 -3.00 1.28 0.00 0.02 0.00 0.00 34.50 32.84 3cfc s PRO 194 CO -0.03 -0.59 1.98 0.66 -0.33 0.00 0.00 177.00 178.70 3cfc h SER 195 N 3.98 0.00 -0.47 2.53 4.64 -1.26 -2.83 113.55 120.14 3cfc h SER 195 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3cfc h SER 195 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3cfc h SER 195 CO 0.72 0.14 0.31 0.77 -0.87 0.00 0.00 176.83 177.90 3cfc h SER 196 N 0.00 0.54 -0.21 4.97 4.64 -1.90 -3.19 113.55 118.40 3cfc h SER 196 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3cfc h SER 196 Cb 0.50 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3cfc h SER 196 CO 0.02 0.40 0.00 0.35 -0.87 0.00 0.00 176.83 176.72 3cfc n THR 198 N -4.46 0.72 -4.24 2.95 -2.24 -1.14 -4.74 114.28 101.13 3cfc n THR 198 Ca 0.04 -0.86 -0.21 0.00 -2.27 0.00 0.00 64.05 60.75 3cfc n THR 198 Cb 0.06 0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 68.82 3cfc n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3cfc s TRP 199 N -0.93 0.93 -2.04 4.78 -0.00 -1.08 -0.94 118.94 119.66 3cfc s TRP 199 Ca 0.17 -0.30 0.11 0.00 -0.00 0.00 0.00 56.10 56.08 3cfc s TRP 199 Cb 0.09 -0.78 0.35 0.00 -0.00 0.00 0.00 33.47 33.14 3cfc s TRP 199 CO 0.12 -0.22 1.28 -0.35 -0.00 0.00 0.00 176.95 177.78 3cfc n PRO 200 N 4.05 1.67 -0.28 5.86 -0.04 -1.26 -4.57 135.00 140.43 3cfc n PRO 200 Ca -0.23 -1.04 0.01 0.00 -0.04 0.00 0.00 63.50 62.20 3cfc n PRO 200 Cb 0.51 -1.25 0.22 0.00 -0.04 0.00 0.00 33.50 32.93 3cfc n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3cfc h SER 202 N 1.75 0.94 -2.49 3.54 4.64 -1.85 -3.41 113.55 116.67 3cfc h SER 202 Ca 0.00 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 3cfc h SER 202 Cb 0.40 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.18 3cfc h SER 202 CO 0.00 0.65 -0.61 -1.10 -0.87 0.00 0.00 176.83 174.90 3cfc s GLN 203 N -5.93 2.57 0.29 4.77 -1.52 -0.12 -5.11 119.66 114.61 3cfc s GLN 203 Ca -0.12 -1.15 -0.03 0.00 -1.95 0.00 0.00 55.36 52.11 3cfc s GLN 203 Cb 0.19 -2.39 -0.05 0.00 -0.22 0.00 0.00 33.01 30.54 3cfc s GLN 203 CO 0.80 0.42 0.53 0.95 -0.25 0.00 0.00 175.29 177.73 3cfc s THR 204 N -2.00 5.07 -0.02 -0.19 -4.23 -1.26 -4.52 115.64 108.49 3cfc s THR 204 Ca 0.30 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 3cfc s THR 204 Cb -0.08 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 3cfc s THR 204 CO 0.21 -0.36 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.11 3cfc s VAL 205 N -2.11 1.07 -0.04 2.29 1.01 -1.26 -5.04 120.40 116.33 3cfc s VAL 205 Ca 0.42 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3cfc s VAL 205 Cb -0.10 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3cfc s VAL 205 CO 0.31 0.31 -0.11 -0.89 0.00 0.00 0.00 175.10 174.72 3cfc s THR 206 N -0.21 0.96 -0.15 3.92 2.01 -1.26 -1.16 115.64 119.76 3cfc s THR 206 Ca 0.03 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 3cfc s THR 206 Cb -0.06 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 3cfc s THR 206 CO -0.00 0.30 0.16 0.00 -0.69 0.00 0.00 174.62 174.39 3cfc s SER 209 N -0.32 3.82 -0.22 0.00 0.01 0.78 -0.85 113.70 116.91 3cfc s SER 209 Ca 0.13 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 3cfc s SER 209 Cb -0.12 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 3cfc s SER 209 CO 0.02 0.01 -0.04 -0.69 0.41 0.00 0.00 173.24 172.95 3cfc s VAL 210 N 1.27 3.40 -0.16 3.43 1.01 0.67 -0.89 120.40 129.13 3cfc s VAL 210 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3cfc s VAL 210 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3cfc s VAL 210 CO -0.06 0.41 0.06 0.00 0.00 0.00 0.00 175.10 175.51 3cfc s ALA 211 N 1.48 3.45 -0.51 5.51 0.00 -0.02 -1.36 121.76 130.31 3cfc s ALA 211 Ca 0.06 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.31 3cfc s ALA 211 Cb -0.14 -1.84 0.15 0.00 0.00 0.00 0.00 23.12 21.28 3cfc s ALA 211 CO -0.03 0.32 0.31 -1.58 0.00 0.00 0.00 175.76 174.78 3cfc s HIS 212 N -0.07 2.40 0.43 0.00 2.46 0.03 -1.43 115.29 119.11 3cfc s HIS 212 Ca 0.07 -2.73 0.18 0.00 0.47 0.00 0.00 55.06 53.05 3cfc s HIS 212 Cb -0.12 -2.09 1.11 0.00 -0.13 0.00 0.00 32.58 31.35 3cfc s HIS 212 CO 0.01 -0.73 1.89 -1.35 -2.47 0.00 0.00 174.74 172.09 3cfc h PRO 213 N 6.27 0.36 -0.59 2.88 0.11 -1.79 -2.20 132.00 137.04 3cfc h PRO 213 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3cfc h PRO 213 Cb 0.88 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3cfc h PRO 213 CO 0.55 0.24 0.37 0.00 -0.21 0.00 0.00 178.00 178.95 3cfc h ALA 214 N 1.62 1.56 -0.29 -0.75 0.00 -1.92 -1.90 119.26 117.58 3cfc h ALA 214 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3cfc h ALA 214 Cb 1.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3cfc h ALA 214 CO -0.14 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 3cfc n SER 215 N -4.43 3.25 -3.79 0.00 3.41 -0.88 -4.98 113.62 106.20 3cfc n SER 215 Ca 0.06 -1.96 -0.27 0.00 -0.26 0.00 0.00 58.87 56.44 3cfc n SER 215 Cb 0.06 -0.18 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 3cfc n SER 215 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3cfc n SER 216 N 1.36 -4.96 -4.36 4.04 2.88 -0.72 -4.98 113.62 106.88 3cfc n SER 216 Ca 0.17 -0.70 -0.30 0.00 -1.33 0.00 0.00 58.87 56.70 3cfc n SER 216 Cb 0.57 -4.30 -0.15 0.00 -0.75 0.00 0.00 64.21 59.59 3cfc n SER 216 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3cfc s THR 217 N -3.34 2.25 -0.05 2.46 -4.23 -1.02 -5.01 115.64 106.71 3cfc s THR 217 Ca 0.57 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 3cfc s THR 217 Cb -0.28 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.71 3cfc s THR 217 CO 0.79 0.40 -0.06 -0.89 -0.54 0.00 0.00 174.62 174.33 3cfc s THR 218 N -0.79 0.65 -0.05 3.99 2.01 -1.26 -0.79 115.64 119.40 3cfc s THR 218 Ca 0.12 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.96 3cfc s THR 218 Cb -0.10 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.76 3cfc s THR 218 CO 0.02 0.25 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.35 3cfc s VAL 219 N 0.81 1.35 -0.11 3.82 1.01 -0.47 -4.96 120.40 121.85 3cfc s VAL 219 Ca -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3cfc s VAL 219 Cb -0.14 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3cfc s VAL 219 CO 0.01 0.39 -0.01 -1.81 0.00 0.00 0.00 175.10 173.69 3cfc s ASP 220 N 0.17 5.12 -0.08 3.32 1.11 -1.26 -0.24 116.67 124.80 3cfc s ASP 220 Ca -0.06 0.06 0.03 0.00 0.18 0.00 0.00 52.55 52.76 3cfc s ASP 220 Cb -0.12 -1.56 0.01 0.00 1.07 0.00 0.00 42.92 42.31 3cfc s ASP 220 CO 0.03 0.31 -0.17 -0.54 1.18 0.00 0.00 175.17 175.98 3cfc s LYS 221 N -0.48 2.28 0.22 8.23 -0.14 -0.03 -4.99 119.74 124.83 3cfc s LYS 221 Ca 0.08 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 53.97 3cfc s LYS 221 Cb -0.12 -1.81 -0.07 0.00 -1.68 0.00 0.00 37.83 34.15 3cfc s LYS 221 CO 0.02 0.07 0.57 0.15 -0.76 0.00 0.00 175.35 175.40 3cfc s LYS 222 N 0.59 3.86 0.04 1.68 1.02 -1.26 -0.96 119.74 124.70 3cfc s LYS 222 Ca -0.15 0.36 0.22 0.00 0.02 0.00 0.00 55.97 56.42 3cfc s LYS 222 Cb -0.17 -2.69 -0.23 0.00 -0.52 0.00 0.00 37.83 34.23 3cfc s LYS 222 CO 0.05 0.34 0.67 1.28 -0.92 0.00 0.00 175.35 176.76 3cfc n LEU 223 N 0.05 0.28 -0.08 3.17 4.32 -0.31 -4.20 117.00 120.23 3cfc n LEU 223 Ca -0.01 0.07 -0.16 0.00 -0.02 0.00 0.00 56.01 55.90 3cfc n LEU 223 Cb 0.52 -0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 42.19 3cfc n LEU 223 CO 0.44 -0.04 0.05 -0.33 -1.22 0.00 0.00 177.39 176.30 3cfc h GLU 226 N 0.00 0.00 0.00 3.23 4.39 -1.96 -3.45 114.58 116.79 3cfc h GLU 226 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3cfc h GLU 226 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3cfc h GLU 226 CO 0.00 0.94 0.00 -2.30 -1.16 0.00 0.00 179.01 176.49