#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fee s ARG 3 N 0.00 0.74 -0.17 7.34 3.52 -1.15 -4.97 118.95 124.26 2fee s ARG 3 Ca 0.00 1.03 -0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2fee s ARG 3 Cb 0.00 0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2fee s ARG 3 CO 0.00 -0.11 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.80 2fee s LEU 4 N 0.86 2.93 -0.56 -0.88 1.43 -1.26 -2.16 118.68 119.05 2fee s LEU 4 Ca -0.04 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2fee s LEU 4 Cb -0.05 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.63 2fee s LEU 4 CO -0.08 0.09 0.42 -0.11 0.23 0.00 0.00 176.35 176.91 2fee n LEU 5 N 4.04 1.27 -4.81 1.79 -0.00 -1.01 -3.60 117.00 114.68 2fee n LEU 5 Ca -0.18 -4.80 -0.33 0.00 -0.00 0.00 0.00 56.01 50.71 2fee n LEU 5 Cb 0.52 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 2fee n LEU 5 CO 0.31 1.82 0.71 -1.83 -0.00 0.00 0.00 177.39 178.39 2fee s GLU 6 N -0.73 3.58 0.30 1.96 1.03 -1.26 -2.97 118.70 120.61 2fee s GLU 6 Ca 0.29 1.15 -0.18 0.00 0.03 0.00 0.00 54.97 56.26 2fee s GLU 6 Cb 0.00 -2.07 0.07 0.00 -0.80 0.00 0.00 34.13 31.33 2fee s GLU 6 CO -0.18 -0.60 0.91 -1.54 -1.33 0.00 0.00 175.26 172.52 2fee s SER 7 N -2.75 0.03 0.00 0.83 1.04 0.32 -4.44 113.70 108.72 2fee s SER 7 Ca 0.63 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2fee s SER 7 Cb -0.14 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2fee s SER 7 CO 0.33 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2fee n GLY 8 N -0.62 0.64 1.73 7.32 0.00 -1.26 -0.38 105.19 112.61 2fee n GLY 8 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2fee n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 9 N -2.02 -1.07 0.00 -0.02 0.00 -1.26 -4.66 105.19 96.15 2fee n GLY 9 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2fee n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 10 N 1.16 0.32 3.66 -0.02 0.00 0.27 -4.92 105.19 105.67 2fee n GLY 10 Ca 0.07 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 2fee n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fee s LEU 11 N 0.00 4.09 0.05 0.99 2.96 -1.26 0.12 118.68 125.62 2fee s LEU 11 Ca 0.00 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2fee s LEU 11 Cb 0.00 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2fee s LEU 11 CO 0.00 0.08 -0.15 0.68 -1.32 0.00 0.00 176.35 175.64 2fee s VAL 12 N 0.95 1.23 0.15 1.68 -7.23 -0.04 -4.95 120.40 112.18 2fee s VAL 12 Ca 0.07 -1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 2fee s VAL 12 Cb -0.13 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 2fee s VAL 12 CO 0.03 0.01 1.39 -1.10 -0.31 0.00 0.00 175.10 175.13 2fee s GLN 13 N -1.24 4.32 0.45 4.82 -0.21 -1.25 -1.14 119.66 125.40 2fee s GLN 13 Ca 0.02 2.11 -0.21 0.00 0.02 0.00 0.00 55.36 57.30 2fee s GLN 13 Cb -0.08 -3.22 -0.13 0.00 1.00 0.00 0.00 33.01 30.58 2fee s GLN 13 CO 0.02 -0.41 0.44 -2.30 -2.12 0.00 0.00 175.29 170.91 2fee n PRO 14 N 3.57 0.45 0.00 2.91 -0.02 -1.26 -1.15 135.00 139.50 2fee n PRO 14 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2fee n PRO 14 Cb 0.42 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2fee n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fee n GLY 15 N 1.90 1.65 2.98 -1.23 0.00 -0.91 -4.82 105.19 104.77 2fee n GLY 15 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2fee n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fee n GLY 16 N -0.00 -2.56 3.07 -0.02 0.00 -0.30 -2.96 105.19 102.42 2fee n GLY 16 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2fee n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fee s SER 17 N -4.13 0.85 0.12 1.61 1.04 -1.26 -1.87 113.70 110.06 2fee s SER 17 Ca 0.60 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.45 2fee s SER 17 Cb -0.05 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2fee s SER 17 CO 0.46 -0.24 -0.03 -1.48 0.98 0.00 0.00 173.24 172.93 2fee s LEU 18 N -1.71 2.32 -0.23 2.42 2.34 -0.97 -5.00 118.68 117.85 2fee s LEU 18 Ca -0.08 -1.08 0.02 0.00 0.06 0.00 0.00 54.13 53.05 2fee s LEU 18 Cb -0.08 -0.03 0.04 0.00 -0.56 0.00 0.00 46.19 45.56 2fee s LEU 18 CO -0.00 -0.53 -0.14 -0.75 -1.06 0.00 0.00 176.35 173.88 2fee s LYS 19 N -3.88 2.60 0.05 1.48 2.20 -1.26 -0.86 119.74 120.07 2fee s LYS 19 Ca 0.17 -1.10 -0.21 0.00 -0.36 0.00 0.00 55.97 54.46 2fee s LYS 19 Cb 0.06 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.53 2fee s LYS 19 CO -0.02 -0.41 0.63 -0.51 -0.36 0.00 0.00 175.35 174.68 2fee s LEU 20 N 1.20 4.48 -0.10 5.43 1.43 0.21 -4.65 118.68 126.68 2fee s LEU 20 Ca -0.02 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2fee s LEU 20 Cb -0.17 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2fee s LEU 20 CO -0.08 0.17 -0.04 -0.44 0.23 0.00 0.00 176.35 176.19 2fee s SER 21 N -0.62 4.84 -0.24 2.29 0.01 0.48 -0.92 113.70 119.55 2fee s SER 21 Ca 0.32 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2fee s SER 21 Cb -0.20 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.60 2fee s SER 21 CO 0.20 0.30 -0.07 0.00 0.41 0.00 0.00 173.24 174.08 2fee s ALA 23 N 1.35 3.32 0.09 0.00 0.00 -1.16 -0.44 121.76 124.92 2fee s ALA 23 Ca 0.01 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2fee s ALA 23 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2fee s ALA 23 CO -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 175.76 175.38 2fee s ALA 24 N 1.37 3.36 -0.30 0.00 0.00 -0.64 -2.39 121.76 123.15 2fee s ALA 24 Ca 0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 2fee s ALA 24 Cb -0.15 -1.26 0.17 0.00 0.00 0.00 0.00 23.12 21.89 2fee s ALA 24 CO 0.05 0.71 0.89 -1.54 0.00 0.00 0.00 175.76 175.87 2fee s SER 25 N -2.32 -0.78 0.00 0.00 1.04 -0.92 -4.84 113.70 105.88 2fee s SER 25 Ca 0.27 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2fee s SER 25 Cb -0.12 1.73 0.00 0.00 0.10 0.00 0.00 66.02 67.73 2fee s SER 25 CO 0.19 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2fee n GLY 26 N 5.33 -0.90 3.54 7.32 0.00 -1.26 -2.93 105.19 116.29 2fee n GLY 26 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2fee n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fee s PHE 27 N 0.00 -0.57 -0.32 1.61 -0.71 -1.26 -4.20 117.98 112.53 2fee s PHE 27 Ca 0.00 0.99 -0.28 0.00 -1.04 0.00 0.00 56.93 56.59 2fee s PHE 27 Cb 0.00 0.42 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 2fee s PHE 27 CO 0.00 -0.52 1.86 0.34 -1.34 0.00 0.00 175.22 175.56 2fee s ASP 28 N -1.14 5.82 0.24 1.98 3.68 -1.26 -4.83 116.67 121.16 2fee s ASP 28 Ca -0.08 1.37 0.00 0.00 2.13 0.00 0.00 52.55 55.98 2fee s ASP 28 Cb -0.00 -2.52 0.27 0.00 -1.45 0.00 0.00 42.92 39.21 2fee s ASP 28 CO 0.07 -1.76 1.61 0.22 0.13 0.00 0.00 175.17 175.45 2fee h TYR 29 N 13.23 0.57 -4.06 -5.34 3.20 -1.96 -3.38 116.97 119.24 2fee h TYR 29 Ca -0.35 -0.17 -0.45 0.00 3.14 0.00 0.00 58.73 60.91 2fee h TYR 29 Cb 1.18 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 2fee h TYR 29 CO 0.96 0.82 0.36 -1.54 -1.64 0.00 0.00 178.16 177.11 2fee s SER 30 N -6.86 6.74 0.00 -2.11 1.04 -1.26 -3.62 113.70 107.63 2fee s SER 30 Ca -0.07 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2fee s SER 30 Cb 0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2fee s SER 30 CO 0.81 -0.50 0.00 0.54 0.98 0.00 0.00 173.24 175.07 2fee n ARG 31 N -0.70 0.00 -4.44 4.02 5.12 -1.26 -5.07 116.66 114.34 2fee n ARG 31 Ca 0.08 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.71 2fee n ARG 31 Cb 0.53 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.67 2fee n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2fee s TYR 32 N -2.10 1.91 0.27 -1.55 4.12 -1.24 -4.98 117.35 113.79 2fee s TYR 32 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 57.07 55.91 2fee s TYR 32 Cb 0.00 -1.39 -0.10 0.00 -1.52 0.00 0.00 41.96 38.95 2fee s TYR 32 CO 0.00 -0.46 1.35 -1.58 0.02 0.00 0.00 175.55 174.88 2fee s TRP 33 N 1.00 3.09 0.41 2.71 0.52 -1.26 -4.20 118.94 121.21 2fee s TRP 33 Ca -0.07 1.24 0.08 0.00 0.02 0.00 0.00 56.10 57.37 2fee s TRP 33 Cb -0.15 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.43 2fee s TRP 33 CO -0.02 -2.13 0.29 -1.64 0.02 0.00 0.00 176.95 173.48 2fee s MET 34 N -0.91 2.42 0.19 4.98 -1.94 -0.34 -1.21 119.30 122.50 2fee s MET 34 Ca 0.54 -1.64 -0.16 0.00 -1.71 0.00 0.00 55.69 52.72 2fee s MET 34 Cb -0.40 -2.23 0.02 0.00 2.01 0.00 0.00 34.83 34.24 2fee s MET 34 CO 0.46 -0.14 0.50 0.45 -0.01 0.00 0.00 175.02 176.28 2fee s SER 35 N -4.03 -0.22 -0.05 3.03 0.15 0.49 -1.79 113.70 111.27 2fee s SER 35 Ca 0.45 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.60 2fee s SER 35 Cb -0.01 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2fee s SER 35 CO 0.26 -1.04 -0.17 0.26 1.20 0.00 0.00 173.24 173.74 2fee s TRP 36 N -3.89 1.74 -0.04 3.44 0.52 -0.24 -0.55 118.94 119.92 2fee s TRP 36 Ca 0.10 -0.54 0.02 0.00 0.02 0.00 0.00 56.10 55.70 2fee s TRP 36 Cb -0.01 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.14 2fee s TRP 36 CO -0.02 -0.20 -0.07 0.08 0.02 0.00 0.00 176.95 176.75 2fee s VAL 37 N 0.17 0.70 0.32 4.03 1.01 0.55 -0.27 120.40 126.91 2fee s VAL 37 Ca -0.07 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2fee s VAL 37 Cb -0.13 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2fee s VAL 37 CO 0.03 0.24 0.05 0.00 0.00 0.00 0.00 175.10 175.42 2fee s ARG 38 N 0.51 2.22 -0.21 2.72 1.70 -0.15 0.92 118.95 126.66 2fee s ARG 38 Ca -0.08 -1.60 -0.04 0.00 -0.47 0.00 0.00 55.73 53.55 2fee s ARG 38 Cb -0.11 -2.07 0.09 0.00 -0.57 0.00 0.00 34.95 32.29 2fee s ARG 38 CO 0.01 0.19 0.21 -1.14 -1.08 0.00 0.00 175.30 173.48 2fee s GLN 39 N -3.75 0.19 0.43 3.89 0.74 0.18 -0.87 119.66 120.48 2fee s GLN 39 Ca 0.35 0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.58 2fee s GLN 39 Cb -0.03 -1.23 -0.09 0.00 1.10 0.00 0.00 33.01 32.77 2fee s GLN 39 CO 0.21 -0.72 1.40 0.00 -0.55 0.00 0.00 175.29 175.62 2fee s ALA 40 N 2.29 3.28 0.13 1.58 0.00 -1.26 -0.73 121.76 127.05 2fee s ALA 40 Ca 0.07 1.41 -0.34 0.00 0.00 0.00 0.00 51.96 53.09 2fee s ALA 40 Cb -0.16 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.24 2fee s ALA 40 CO -0.16 -1.07 1.15 -2.30 0.00 0.00 0.00 175.76 173.38 2fee n PRO 41 N -0.04 0.92 0.00 0.00 -0.02 -1.26 -0.92 135.00 133.68 2fee n PRO 41 Ca 0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2fee n PRO 41 Cb 0.42 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2fee n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fee n GLY 42 N 2.06 2.26 2.91 -1.23 0.00 -1.26 -4.96 105.19 104.98 2fee n GLY 42 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2fee n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fee n LYS 43 N -1.73 0.71 0.00 1.61 5.02 -0.09 -5.15 118.16 118.53 2fee n LYS 43 Ca 0.00 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 53.94 2fee n LYS 43 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 2fee n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fee n GLY 44 N -0.26 0.07 3.81 0.72 0.00 -1.26 -4.59 105.19 103.67 2fee n GLY 44 Ca 0.12 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 2fee n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fee s LEU 45 N 0.00 4.09 -0.18 0.99 1.43 -1.26 -4.14 118.68 119.61 2fee s LEU 45 Ca 0.00 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2fee s LEU 45 Cb 0.00 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.24 2fee s LEU 45 CO 0.00 0.38 0.00 -0.54 0.23 0.00 0.00 176.35 176.42 2fee s LYS 46 N -1.08 0.95 0.20 1.70 -0.14 -0.05 -4.98 119.74 116.34 2fee s LYS 46 Ca 0.16 -0.46 -0.31 0.00 -1.36 0.00 0.00 55.97 54.00 2fee s LYS 46 Cb -0.12 -2.02 -0.10 0.00 -1.68 0.00 0.00 37.83 33.91 2fee s LYS 46 CO 0.05 -0.55 1.51 -0.46 -0.76 0.00 0.00 175.35 175.14 2fee s TRP 47 N 1.76 3.03 0.00 3.18 -0.00 -1.26 -0.98 118.94 124.68 2fee s TRP 47 Ca -0.01 0.81 0.00 0.00 -0.00 0.00 0.00 56.10 56.91 2fee s TRP 47 Cb -0.16 -3.88 0.00 0.00 -0.00 0.00 0.00 33.47 29.42 2fee s TRP 47 CO -0.07 -3.08 0.00 -0.89 -0.00 0.00 0.00 176.95 172.91 2fee n ILE 48 N 3.20 0.00 -3.92 5.86 2.08 0.63 -4.65 119.36 122.57 2fee n ILE 48 Ca 0.11 0.44 -0.10 0.00 0.56 0.00 0.00 62.75 63.75 2fee n ILE 48 Cb 0.39 -1.42 -0.02 0.00 -0.75 0.00 0.00 39.64 37.84 2fee n ILE 48 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2fee s GLY 49 N -2.65 0.53 -0.01 7.39 0.00 -1.20 0.41 107.32 111.80 2fee s GLY 49 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 2fee s GLY 49 CO 0.00 -0.47 0.02 -1.83 0.00 0.00 0.00 173.10 170.82 2fee s GLU 50 N -3.19 0.04 -0.07 2.90 -1.05 -0.78 -1.08 118.70 115.47 2fee s GLU 50 Ca 0.19 -0.02 0.04 0.00 -0.15 0.00 0.00 54.97 55.03 2fee s GLU 50 Cb -0.03 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 2fee s GLU 50 CO 0.12 -0.01 -0.19 -1.50 0.95 0.00 0.00 175.26 174.63 2fee s ILE 51 N -0.09 1.64 0.51 1.83 2.07 -0.74 -2.73 121.20 123.69 2fee s ILE 51 Ca -0.01 -0.79 -0.09 0.00 -1.41 0.00 0.00 60.65 58.35 2fee s ILE 51 Cb -0.01 -1.43 0.13 0.00 0.13 0.00 0.00 42.46 41.28 2fee s ILE 51 CO -0.00 0.47 0.45 -0.46 -1.91 0.00 0.00 174.94 173.49 2fee n ASN 52 N 3.46 -1.47 0.06 4.50 0.23 -0.95 -1.20 115.26 119.89 2fee n ASN 52 Ca -0.20 -0.77 -0.19 0.00 -0.53 0.00 0.00 54.58 52.90 2fee n ASN 52 Cb 0.52 -0.41 -0.09 0.00 -2.08 0.00 0.00 39.78 37.72 2fee n ASN 52 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2fee h PRO 53 N 0.00 0.59 -0.21 -0.53 0.11 -1.92 -3.29 132.00 126.75 2fee h PRO 53 Ca -0.17 -0.68 0.00 0.00 0.11 0.00 0.00 66.00 65.26 2fee h PRO 53 Cb 0.52 0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2fee h PRO 53 CO 0.11 1.28 0.00 1.33 -0.21 0.00 0.00 178.00 180.51 2fee n VAL 54 N -3.80 0.28 -0.91 3.15 0.24 -1.26 -4.88 118.33 111.15 2fee n VAL 54 Ca -0.10 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2fee n VAL 54 Cb 0.90 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 2fee n VAL 54 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2fee n SER 55 N 0.16 -4.65 -0.54 -1.34 7.64 -1.24 -4.79 113.62 108.85 2fee n SER 55 Ca 0.10 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.09 2fee n SER 55 Cb 0.22 -3.10 0.39 0.00 -1.01 0.00 0.00 64.21 60.71 2fee n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fee n SER 56 N -0.75 1.63 -3.70 6.43 3.41 -1.26 -4.68 113.62 114.71 2fee n SER 56 Ca 0.00 -1.68 -0.14 0.00 -0.26 0.00 0.00 58.87 56.79 2fee n SER 56 Cb 0.37 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 2fee n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2fee s THR 57 N -1.81 -0.18 -0.19 6.66 2.01 -1.26 -5.07 115.64 115.79 2fee s THR 57 Ca 0.33 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 2fee s THR 57 Cb 0.18 -0.34 0.07 0.00 0.01 0.00 0.00 72.50 72.42 2fee s THR 57 CO 0.27 0.10 0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 2fee s ILE 58 N 1.73 -0.07 0.02 1.82 1.01 -1.26 -2.23 121.20 122.22 2fee s ILE 58 Ca -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2fee s ILE 58 Cb -0.11 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 2fee s ILE 58 CO -0.07 -0.36 0.27 0.20 0.00 0.00 0.00 174.94 174.97 2fee s ASN 59 N 2.12 6.48 0.35 3.58 -0.87 -1.11 -4.98 114.94 120.52 2fee s ASN 59 Ca 0.03 0.54 0.09 0.00 -1.57 0.00 0.00 52.86 51.95 2fee s ASN 59 Cb -0.16 -2.08 -0.06 0.00 -0.02 0.00 0.00 41.25 38.93 2fee s ASN 59 CO -0.14 0.24 -0.01 -0.31 -2.57 0.00 0.00 177.10 174.31 2fee s TYR 60 N -1.33 2.51 0.89 2.20 1.51 -1.26 -1.86 117.35 120.01 2fee s TYR 60 Ca 0.28 -0.47 -0.11 0.00 -1.01 0.00 0.00 57.07 55.76 2fee s TYR 60 Cb -0.13 -1.49 0.13 0.00 -0.11 0.00 0.00 41.96 40.36 2fee s TYR 60 CO 0.17 0.49 1.10 -0.08 -1.11 0.00 0.00 175.55 176.12 2fee s THR 61 N -2.55 2.66 0.00 -0.71 -1.32 0.17 -4.79 115.64 109.09 2fee s THR 61 Ca 0.34 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2fee s THR 61 Cb 0.01 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 2fee s THR 61 CO 0.19 -0.28 0.45 -2.65 -2.21 0.00 0.00 174.62 170.12 2fee n PRO 62 N -3.96 0.00 -1.06 7.08 -0.02 -1.26 -4.80 135.00 130.98 2fee n PRO 62 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2fee n PRO 62 Cb 0.54 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 2fee n PRO 62 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2fee n SER 63 N 3.11 0.71 0.00 2.55 3.41 -1.26 -5.15 113.62 116.99 2fee n SER 63 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2fee n SER 63 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2fee n SER 63 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fee n LEU 64 N 0.00 0.00 0.00 1.04 4.77 -1.26 -5.00 117.00 116.55 2fee n LEU 64 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2fee n LEU 64 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2fee n LEU 64 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.35 2fee n LYS 65 N 0.00 0.00 -2.46 3.23 5.02 -1.26 -4.70 118.16 117.98 2fee n LYS 65 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2fee n LYS 65 Cb 0.00 -0.06 0.01 0.00 -0.02 0.00 0.00 35.03 34.97 2fee n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fee n ASP 66 N -1.58 3.86 -0.16 4.39 8.00 -1.26 -4.90 116.55 124.89 2fee n ASP 66 Ca 0.00 -3.40 -0.04 0.00 0.71 0.00 0.00 54.79 52.06 2fee n ASP 66 Cb 0.00 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.67 2fee n ASP 66 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2fee h LYS 67 N 2.60 -0.10 -6.52 -1.24 1.63 -1.88 -3.37 116.57 107.68 2fee h LYS 67 Ca 0.20 0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 59.33 2fee h LYS 67 Cb 1.10 0.02 -0.19 0.00 -0.60 0.00 0.00 32.23 32.57 2fee h LYS 67 CO 0.72 -0.07 -0.76 -0.06 -3.45 0.00 0.00 179.45 175.82 2fee s PHE 68 N -6.13 2.68 -0.11 1.91 0.40 -1.26 -0.80 117.98 114.66 2fee s PHE 68 Ca -0.14 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 2fee s PHE 68 Cb 0.16 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 42.24 2fee s PHE 68 CO 0.71 0.34 -0.05 0.42 0.70 0.00 0.00 175.22 177.33 2fee s ILE 69 N -1.04 0.88 -0.14 0.64 1.01 0.12 -4.99 121.20 117.68 2fee s ILE 69 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2fee s ILE 69 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2fee s ILE 69 CO 0.08 0.30 0.03 -0.63 0.00 0.00 0.00 174.94 174.72 2fee s ILE 70 N 1.76 4.49 0.28 2.92 1.01 -1.26 -1.02 121.20 129.38 2fee s ILE 70 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 2fee s ILE 70 Cb -0.13 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 2fee s ILE 70 CO -0.07 0.53 0.34 -0.94 0.00 0.00 0.00 174.94 174.79 2fee s SER 71 N -0.13 0.57 -0.09 3.58 1.04 -0.74 -4.99 113.70 112.93 2fee s SER 71 Ca 0.05 -1.37 -0.17 0.00 0.48 0.00 0.00 55.95 54.95 2fee s SER 71 Cb -0.12 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.58 2fee s SER 71 CO 0.02 -1.09 0.42 0.00 0.98 0.00 0.00 173.24 173.56 2fee s ARG 72 N -3.67 0.63 -0.44 4.02 1.70 -1.26 -0.73 118.95 119.19 2fee s ARG 72 Ca 0.33 0.27 0.03 0.00 -0.47 0.00 0.00 55.73 55.89 2fee s ARG 72 Cb 0.02 0.29 0.12 0.00 -0.57 0.00 0.00 34.95 34.81 2fee s ARG 72 CO 0.16 -0.14 0.18 0.34 -1.08 0.00 0.00 175.30 174.77 2fee s ASP 73 N -0.51 4.64 0.55 -2.89 3.68 0.72 -4.95 116.67 117.91 2fee s ASP 73 Ca -0.06 -2.57 0.23 0.00 2.13 0.00 0.00 52.55 52.28 2fee s ASP 73 Cb -0.03 -1.67 1.48 0.00 -1.45 0.00 0.00 42.92 41.25 2fee s ASP 73 CO 0.03 -0.33 2.12 0.78 0.13 0.00 0.00 175.17 177.91 2fee h ASN 74 N 7.11 0.00 -0.35 -0.34 2.35 -1.91 0.19 115.58 122.63 2fee h ASN 74 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2fee h ASN 74 Cb 0.96 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 2fee h ASN 74 CO 0.62 0.00 0.22 0.00 -1.65 0.00 0.00 177.43 176.62 2fee h ALA 75 N 1.89 0.44 -0.00 -0.83 0.00 -1.96 -3.08 119.26 115.71 2fee h ALA 75 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fee h ALA 75 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2fee h ALA 75 CO -0.00 -0.07 -0.30 1.63 0.00 0.00 0.00 179.25 180.50 2fee n LYS 76 N -4.82 0.54 -2.62 0.00 5.02 0.43 -4.95 118.16 111.76 2fee n LYS 76 Ca -0.01 -0.29 -0.15 0.00 -2.02 0.00 0.00 58.31 55.84 2fee n LYS 76 Cb 0.04 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 2fee n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fee n ASP 77 N -0.97 -4.57 -4.15 4.39 9.92 0.12 -4.81 116.55 116.48 2fee n ASP 77 Ca 0.10 -0.14 -0.26 0.00 -0.53 0.00 0.00 54.79 53.96 2fee n ASP 77 Cb 0.33 -3.52 -0.16 0.00 -0.64 0.00 0.00 41.12 37.13 2fee n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2fee s THR 78 N -2.89 1.44 -0.01 -3.53 2.01 -1.11 -1.63 115.64 109.92 2fee s THR 78 Ca 0.14 -0.73 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2fee s THR 78 Cb -0.06 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 2fee s THR 78 CO 0.18 0.41 0.17 -0.22 -0.69 0.00 0.00 174.62 174.47 2fee s LEU 79 N -0.06 4.30 -0.01 4.42 2.96 0.42 -0.20 118.68 130.51 2fee s LEU 79 Ca -0.02 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2fee s LEU 79 Cb -0.11 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 2fee s LEU 79 CO 0.02 0.27 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.87 2fee s TYR 80 N -1.29 1.23 -0.07 5.38 1.51 0.09 0.65 117.35 124.85 2fee s TYR 80 Ca 0.26 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2fee s TYR 80 Cb -0.12 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2fee s TYR 80 CO 0.17 -0.04 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.32 2fee s LEU 81 N -0.25 1.41 -0.18 -1.29 2.96 -0.09 -1.80 118.68 119.43 2fee s LEU 81 Ca 0.04 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2fee s LEU 81 Cb -0.06 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.93 2fee s LEU 81 CO -0.00 -0.03 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.73 2fee s GLN 82 N 1.02 3.11 -0.09 1.98 -0.21 -0.19 0.63 119.66 125.91 2fee s GLN 82 Ca -0.08 -0.77 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 2fee s GLN 82 Cb -0.15 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 2fee s GLN 82 CO -0.00 -0.17 0.00 0.42 -2.12 0.00 0.00 175.29 173.42 2fee s ILE 83 N 1.25 4.31 0.24 1.08 1.01 -0.04 -0.70 121.20 128.34 2fee s ILE 83 Ca 0.03 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.53 2fee s ILE 83 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2fee s ILE 83 CO -0.09 0.59 -0.06 -0.44 0.00 0.00 0.00 174.94 174.95 2fee s SER 84 N -0.76 4.34 -1.15 3.58 0.01 0.02 -2.29 113.70 117.44 2fee s SER 84 Ca 0.12 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.46 2fee s SER 84 Cb -0.12 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.38 2fee s SER 84 CO 0.02 0.04 0.76 0.29 0.41 0.00 0.00 173.24 174.76 2fee n LYS 85 N -0.57 -0.93 -2.40 12.44 4.76 -1.16 -4.78 118.16 125.53 2fee n LYS 85 Ca -0.08 0.36 -0.37 0.00 -2.87 0.00 0.00 58.31 55.36 2fee n LYS 85 Cb 0.58 -3.61 -0.03 0.00 -1.84 0.00 0.00 35.03 30.12 2fee n LYS 85 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2fee s VAL 86 N -3.46 3.79 0.83 -0.18 1.01 -0.78 -4.55 120.40 117.06 2fee s VAL 86 Ca 0.47 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2fee s VAL 86 Cb -0.19 -4.76 0.09 0.00 0.00 0.00 0.00 36.38 31.51 2fee s VAL 86 CO 0.89 -1.64 1.17 0.00 0.00 0.00 0.00 175.10 175.53 2fee s ARG 87 N 5.53 1.76 0.18 2.72 1.70 -1.26 -2.14 118.95 127.44 2fee s ARG 87 Ca 0.54 0.13 0.24 0.00 -0.47 0.00 0.00 55.73 56.18 2fee s ARG 87 Cb -0.02 -1.93 0.91 0.00 -0.57 0.00 0.00 34.95 33.35 2fee s ARG 87 CO -0.05 -1.74 1.74 -1.13 -1.08 0.00 0.00 175.30 173.04 2fee n SER 88 N -3.42 0.56 -0.13 -2.89 3.41 -1.26 -2.02 113.62 107.86 2fee n SER 88 Ca 0.08 0.59 0.28 0.00 -0.26 0.00 0.00 58.87 59.56 2fee n SER 88 Cb 0.61 -0.73 0.68 0.00 -0.26 0.00 0.00 64.21 64.51 2fee n SER 88 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2fee h GLU 89 N 0.00 0.00 -0.51 4.33 3.07 -1.98 0.21 114.58 119.71 2fee h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2fee h GLU 89 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2fee h GLU 89 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 2fee n ASP 90 N -3.76 2.71 -4.54 1.42 9.92 -0.86 -4.65 116.55 116.79 2fee n ASP 90 Ca 0.18 -2.06 -0.42 0.00 -0.53 0.00 0.00 54.79 51.95 2fee n ASP 90 Cb 1.07 -0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 41.17 2fee n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2fee s THR 91 N -1.44 4.08 0.35 -3.53 2.01 0.75 -4.72 115.64 113.14 2fee s THR 91 Ca 0.32 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.71 2fee s THR 91 Cb 0.18 -4.71 0.03 0.00 0.01 0.00 0.00 72.50 68.00 2fee s THR 91 CO 0.21 -1.41 0.65 0.00 -0.69 0.00 0.00 174.62 173.38 2fee s ALA 92 N 4.77 -0.20 0.01 7.40 0.00 -1.13 -4.35 121.76 128.26 2fee s ALA 92 Ca 0.36 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 2fee s ALA 92 Cb -0.10 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 2fee s ALA 92 CO 0.20 -0.91 0.65 -1.17 0.00 0.00 0.00 175.76 174.53 2fee s LEU 93 N -3.12 4.43 -0.19 0.00 2.96 0.10 -1.15 118.68 121.70 2fee s LEU 93 Ca 0.21 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.35 2fee s LEU 93 Cb -0.03 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.63 2fee s LEU 93 CO 0.14 0.08 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.84 2fee s TYR 94 N -0.16 2.89 -0.18 5.38 2.02 -0.45 0.50 117.35 127.35 2fee s TYR 94 Ca 0.33 -1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 55.94 2fee s TYR 94 Cb -0.19 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 2fee s TYR 94 CO 0.19 -0.54 0.03 0.71 -1.57 0.00 0.00 175.55 174.38 2fee s TYR 95 N 1.20 3.16 -0.05 2.71 2.02 0.26 -2.60 117.35 124.06 2fee s TYR 95 Ca 0.02 -0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.45 2fee s TYR 95 Cb -0.14 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 2fee s TYR 95 CO -0.04 0.02 0.42 0.00 -1.57 0.00 0.00 175.55 174.38 2fee s ALA 97 N -0.45 0.88 -0.00 0.00 0.00 0.28 -1.12 121.76 121.35 2fee s ALA 97 Ca 0.24 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 2fee s ALA 97 Cb -0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 2fee s ALA 97 CO 0.12 0.15 0.49 0.50 0.00 0.00 0.00 175.76 177.02 2fee s ARG 98 N -0.92 4.14 -0.05 0.00 3.52 -0.35 -0.38 118.95 124.91 2fee s ARG 98 Ca -0.00 0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 56.12 2fee s ARG 98 Cb -0.07 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2fee s ARG 98 CO 0.01 0.53 0.10 -0.51 -0.81 0.00 0.00 175.30 174.62 2fee s LEU 99 N -0.63 4.08 0.00 -0.88 1.43 -0.35 0.11 118.68 122.45 2fee s LEU 99 Ca 0.27 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2fee s LEU 99 Cb -0.17 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2fee s LEU 99 CO 0.15 0.33 0.49 0.00 0.23 0.00 0.00 176.35 177.54 2fee n TYR 100 N 1.53 -1.65 -4.11 0.29 9.36 -0.83 -4.43 117.16 117.31 2fee n TYR 100 Ca -0.16 -1.54 -0.12 0.00 3.32 0.00 0.00 57.90 59.41 2fee n TYR 100 Cb 0.53 0.56 -0.07 0.00 -0.63 0.00 0.00 39.34 39.74 2fee n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 2fee s TYR 101 N -3.76 0.88 0.00 2.98 -0.85 -1.26 0.59 117.35 115.93 2fee s TYR 101 Ca 0.16 -1.14 0.00 0.00 -0.52 0.00 0.00 57.07 55.57 2fee s TYR 101 Cb -0.02 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.10 2fee s TYR 101 CO 0.12 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 2fee n GLY 102 N -0.38 0.56 0.28 5.49 0.00 -1.26 -4.81 105.19 105.07 2fee n GLY 102 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 2fee n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2fee h TYR 103 N 0.00 0.00 0.00 1.61 0.05 -2.04 -3.45 116.97 113.13 2fee h TYR 103 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2fee h TYR 103 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2fee h TYR 103 CO 0.00 0.06 0.00 0.41 -1.05 0.00 0.00 178.16 177.58 2fee n GLY 104 N -0.31 -0.40 3.58 3.88 0.00 -1.26 -5.11 105.19 105.57 2fee n GLY 104 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2fee n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fee s TYR 105 N -0.52 3.21 0.30 1.61 1.51 -1.26 -4.98 117.35 117.23 2fee s TYR 105 Ca 0.00 0.07 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 2fee s TYR 105 Cb 0.00 -2.36 -0.10 0.00 -0.11 0.00 0.00 41.96 39.40 2fee s TYR 105 CO 0.00 -0.17 0.91 -1.58 -1.11 0.00 0.00 175.55 173.61 2fee s TRP 106 N 1.70 3.70 0.41 2.71 0.52 -1.26 -4.27 118.94 122.45 2fee s TRP 106 Ca 0.07 1.73 0.03 0.00 0.02 0.00 0.00 56.10 57.96 2fee s TRP 106 Cb -0.16 -2.88 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2fee s TRP 106 CO 0.10 0.24 0.09 1.52 0.02 0.00 0.00 176.95 178.92 2fee s TYR 107 N -1.58 1.86 -0.42 -1.98 -0.85 0.20 -4.98 117.35 109.61 2fee s TYR 107 Ca 0.49 -1.14 -0.12 0.00 -0.52 0.00 0.00 57.07 55.78 2fee s TYR 107 Cb -0.19 -1.28 0.05 0.00 0.38 0.00 0.00 41.96 40.92 2fee s TYR 107 CO 0.24 -0.12 0.29 -0.06 -1.52 0.00 0.00 175.55 174.38 2fee s PHE 108 N -3.16 3.27 -0.02 -3.49 0.40 -1.26 -1.96 117.98 111.76 2fee s PHE 108 Ca 0.24 -1.03 -0.04 0.00 -0.60 0.00 0.00 56.93 55.50 2fee s PHE 108 Cb 0.04 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.76 2fee s PHE 108 CO 0.13 -0.73 0.36 0.22 0.70 0.00 0.00 175.22 175.90 2fee h ASP 109 N 8.55 -0.12 -3.94 1.36 3.58 0.44 -3.44 116.42 122.84 2fee h ASP 109 Ca -0.26 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.55 2fee h ASP 109 Cb 1.10 0.03 -0.31 0.00 1.72 0.00 0.00 39.33 41.87 2fee h ASP 109 CO 0.76 0.03 -0.87 -0.69 -2.88 0.00 0.00 179.24 175.59 2fee s VAL 110 N -2.03 1.84 -0.08 2.25 1.01 -1.22 -4.97 120.40 117.20 2fee s VAL 110 Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 2fee s VAL 110 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2fee s VAL 110 CO 0.06 0.51 0.06 0.26 0.00 0.00 0.00 175.10 175.99 2fee s TRP 111 N -0.07 3.31 0.89 5.22 0.52 -1.26 -1.21 118.94 126.34 2fee s TRP 111 Ca -0.04 0.29 -0.15 0.00 0.02 0.00 0.00 56.10 56.21 2fee s TRP 111 Cb -0.13 -1.82 0.22 0.00 -1.15 0.00 0.00 33.47 30.59 2fee s TRP 111 CO 0.03 0.56 0.73 0.41 0.02 0.00 0.00 176.95 178.71 2fee n GLY 112 N 1.87 -2.93 0.12 0.98 0.00 -0.27 -4.78 105.19 100.18 2fee n GLY 112 Ca -0.18 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.46 2fee n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee h ALA 113 N -2.65 0.65 0.00 4.61 0.00 -1.88 -3.46 119.26 116.53 2fee h ALA 113 Ca -0.28 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2fee h ALA 113 Cb 0.88 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2fee h ALA 113 CO 0.18 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2fee n GLY 114 N 1.26 0.05 3.74 0.00 0.00 -1.26 -5.01 105.19 103.97 2fee n GLY 114 Ca -0.03 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2fee n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fee s THR 115 N -1.74 4.27 -0.03 2.61 2.01 -1.07 -4.88 115.64 116.82 2fee s THR 115 Ca 0.00 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 2fee s THR 115 Cb 0.00 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 2fee s THR 115 CO 0.00 0.02 0.31 -0.89 -0.69 0.00 0.00 174.62 173.38 2fee s THR 116 N -1.52 5.20 -0.14 -0.82 2.01 -1.26 -1.34 115.64 117.77 2fee s THR 116 Ca 0.29 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2fee s THR 116 Cb -0.11 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.80 2fee s THR 116 CO 0.21 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.83 2fee s VAL 117 N -1.12 2.65 -0.28 3.82 1.01 -0.30 0.95 120.40 127.13 2fee s VAL 117 Ca 0.22 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2fee s VAL 117 Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2fee s VAL 117 CO 0.11 0.52 0.01 -0.89 0.00 0.00 0.00 175.10 174.86 2fee s THR 118 N 0.68 3.33 -0.46 3.92 2.01 0.33 -2.82 115.64 122.62 2fee s THR 118 Ca -0.08 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.63 2fee s THR 118 Cb -0.16 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.61 2fee s THR 118 CO 0.02 0.05 1.06 -0.69 -0.69 0.00 0.00 174.62 174.37 2fee s VAL 119 N 1.37 4.33 -0.07 3.82 1.01 -1.26 -0.86 120.40 128.74 2fee s VAL 119 Ca -0.01 1.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 2fee s VAL 119 Cb -0.18 -4.53 0.11 0.00 0.00 0.00 0.00 36.38 31.79 2fee s VAL 119 CO -0.01 -0.90 0.94 -0.55 0.00 0.00 0.00 175.10 174.58 2fee s SER 120 N 2.32 -0.36 0.00 3.32 0.15 -0.29 -4.89 113.70 113.95 2fee s SER 120 Ca 0.44 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.51 2fee s SER 120 Cb -0.09 0.35 0.83 0.00 -1.71 0.00 0.00 66.02 65.40 2fee s SER 120 CO 0.28 -0.51 1.61 -1.20 1.20 0.00 0.00 173.24 174.63 2fee n SER 121 N 0.12 1.43 -2.91 5.45 7.64 -1.26 -3.94 113.62 120.14 2fee n SER 121 Ca -0.09 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.51 2fee n SER 121 Cb 0.60 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 2fee n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fee n ALA 122 N -0.10 0.00 -2.90 -0.43 0.00 -1.26 -5.05 120.51 110.77 2fee n ALA 122 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 2fee n ALA 122 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 2fee n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fee s LYS 123 N -2.74 1.45 0.14 0.00 1.02 -1.26 -5.06 119.74 113.29 2fee s LYS 123 Ca 0.00 -0.50 -0.34 0.00 0.02 0.00 0.00 55.97 55.15 2fee s LYS 123 Cb 0.00 -1.29 -0.13 0.00 -0.52 0.00 0.00 37.83 35.88 2fee s LYS 123 CO 0.00 0.21 1.63 2.41 -0.92 0.00 0.00 175.35 178.68 2fee n THR 124 N 3.14 0.07 -3.66 2.17 -1.04 -1.26 -4.55 114.28 109.15 2fee n THR 124 Ca -0.18 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.57 2fee n THR 124 Cb 0.54 -1.62 -0.17 0.00 -1.82 0.00 0.00 70.33 67.25 2fee n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2fee s THR 125 N 1.33 0.07 0.06 12.58 2.01 0.11 -4.92 115.64 126.89 2fee s THR 125 Ca 0.80 -0.08 -0.37 0.00 0.31 0.00 0.00 61.69 62.34 2fee s THR 125 Cb -0.66 -0.57 -0.18 0.00 0.01 0.00 0.00 72.50 71.11 2fee s THR 125 CO 0.39 -0.12 1.23 -2.65 -0.69 0.00 0.00 174.62 172.79 2fee n PRO 126 N 5.23 0.77 -1.41 4.92 -0.02 -1.26 -2.71 135.00 140.51 2fee n PRO 126 Ca -0.07 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 2fee n PRO 126 Cb 0.49 -1.86 0.09 0.00 -0.02 0.00 0.00 33.50 32.20 2fee n PRO 126 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fee s PRO 127 N 0.27 2.25 -0.14 0.52 0.04 -1.26 -4.56 135.00 132.11 2fee s PRO 127 Ca 0.86 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 2fee s PRO 127 Cb -1.05 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2fee s PRO 127 CO 0.50 -1.69 0.13 -1.12 0.04 0.00 0.00 177.00 174.86 2fee s SER 128 N -2.62 6.24 -0.14 6.66 0.01 0.07 -4.95 113.70 118.97 2fee s SER 128 Ca 0.68 0.37 0.02 0.00 1.31 0.00 0.00 55.95 58.33 2fee s SER 128 Cb -0.22 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 63.98 2fee s SER 128 CO 0.48 0.34 -0.21 -0.69 0.41 0.00 0.00 173.24 173.57 2fee s VAL 129 N -0.60 2.01 -0.07 3.43 1.01 -1.26 -1.72 120.40 123.20 2fee s VAL 129 Ca 0.13 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2fee s VAL 129 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2fee s VAL 129 CO 0.02 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.15 2fee s TYR 130 N 0.91 2.10 0.36 5.22 2.02 -0.63 -4.93 117.35 122.40 2fee s TYR 130 Ca -0.05 -0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 55.62 2fee s TYR 130 Cb -0.15 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 2fee s TYR 130 CO -0.04 -0.30 1.27 -1.25 -1.57 0.00 0.00 175.55 173.67 2fee s PRO 131 N 0.26 4.21 -0.53 -1.71 0.04 -1.26 -0.92 135.00 135.09 2fee s PRO 131 Ca -0.12 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2fee s PRO 131 Cb -0.15 -2.92 0.14 0.00 0.04 0.00 0.00 34.50 31.60 2fee s PRO 131 CO 0.05 -0.28 0.29 -0.51 0.04 0.00 0.00 177.00 176.59 2fee s LEU 132 N -2.07 4.03 0.17 -3.56 1.43 -0.05 -4.87 118.68 113.76 2fee s LEU 132 Ca 0.52 -3.05 0.01 0.00 -1.03 0.00 0.00 54.13 50.59 2fee s LEU 132 Cb -0.37 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2fee s LEU 132 CO 0.49 -0.22 0.33 0.00 0.23 0.00 0.00 176.35 177.18 2fee s ALA 133 N -0.32 3.91 0.43 4.21 0.00 -1.26 -2.62 121.76 126.11 2fee s ALA 133 Ca 0.18 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 2fee s ALA 133 Cb -0.23 -1.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.95 2fee s ALA 133 CO -0.02 0.48 1.22 -2.14 0.00 0.00 0.00 175.76 175.29 2fee s PRO 134 N -3.31 3.90 0.43 0.00 0.02 -1.26 -4.93 135.00 129.84 2fee s PRO 134 Ca 0.36 1.93 -0.23 0.00 0.02 0.00 0.00 61.00 63.08 2fee s PRO 134 Cb -0.11 -2.60 -0.11 0.00 0.02 0.00 0.00 34.50 31.70 2fee s PRO 134 CO 0.29 -0.48 0.88 0.41 -0.33 0.00 0.00 177.00 177.76 2fee n GLY 135 N 0.61 -0.58 0.48 0.52 0.00 -1.26 -4.39 105.19 100.57 2fee n GLY 135 Ca 0.05 0.10 0.34 0.00 0.00 0.00 0.00 46.02 46.51 2fee n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fee n SER 136 N 0.65 0.00 -3.78 1.61 7.64 -1.26 -1.81 113.62 116.66 2fee n SER 136 Ca 0.10 0.67 -0.39 0.00 1.01 0.00 0.00 58.87 60.27 2fee n SER 136 Cb 0.39 -0.31 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2fee n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fee n ALA 137 N -2.48 5.14 -2.39 -0.43 0.00 -1.26 -4.97 120.51 114.12 2fee n ALA 137 Ca 0.28 -4.76 -0.41 0.00 0.00 0.00 0.00 53.44 48.55 2fee n ALA 137 Cb 1.37 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2fee n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee s ALA 138 N -3.07 2.67 -0.24 0.00 0.00 -0.75 -4.90 121.76 115.46 2fee s ALA 138 Ca 0.35 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2fee s ALA 138 Cb 0.10 -4.20 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 2fee s ALA 138 CO 0.03 -3.24 1.37 0.00 0.00 0.00 0.00 175.76 173.92 2fee n ALA 139 N 10.09 2.41 -1.53 0.00 0.00 -1.26 -4.85 120.51 125.38 2fee n ALA 139 Ca 0.10 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.55 2fee n ALA 139 Cb 0.50 -2.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 2fee n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee n ALA 140 N 4.05 0.60 -1.00 0.00 0.00 -1.26 -4.95 120.51 117.94 2fee n ALA 140 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2fee n ALA 140 Cb 0.11 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.79 2fee n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee n ALA 141 N 12.86 0.00 -0.35 0.00 0.00 -1.26 -4.93 120.51 126.82 2fee n ALA 141 Ca 0.54 0.00 0.04 0.00 0.00 0.00 0.00 53.44 54.02 2fee n ALA 141 Cb 0.29 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.85 2fee n ALA 141 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fee n SER 142 N -2.66 -0.40 -3.73 0.00 7.64 -1.26 -4.43 113.62 108.78 2fee n SER 142 Ca 0.00 1.66 -0.28 0.00 1.01 0.00 0.00 58.87 61.26 2fee n SER 142 Cb 0.00 -0.48 -0.16 0.00 -1.01 0.00 0.00 64.21 62.56 2fee n SER 142 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2fee s MET 143 N -6.16 0.68 0.06 1.43 1.00 -1.26 0.04 119.30 115.09 2fee s MET 143 Ca -0.14 -0.63 -0.30 0.00 0.00 0.00 0.00 55.69 54.61 2fee s MET 143 Cb 0.25 -2.04 -0.05 0.00 0.00 0.00 0.00 34.83 33.00 2fee s MET 143 CO 0.74 -0.76 1.06 0.54 0.00 0.00 0.00 175.02 176.60 2fee s VAL 144 N 1.79 4.45 -0.18 -6.03 0.11 -0.01 -4.79 120.40 115.72 2fee s VAL 144 Ca 0.02 1.83 -0.07 0.00 -2.93 0.00 0.00 61.98 60.83 2fee s VAL 144 Cb -0.17 -4.17 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 2fee s VAL 144 CO -0.15 0.18 0.06 -0.89 -3.33 0.00 0.00 175.10 170.98 2fee s THR 145 N 0.72 4.77 0.39 5.04 2.01 -1.26 -0.81 115.64 126.50 2fee s THR 145 Ca 0.53 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.53 2fee s THR 145 Cb -0.25 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2fee s THR 145 CO 0.29 0.46 0.15 -0.76 -0.69 0.00 0.00 174.62 174.07 2fee s LEU 146 N 0.41 1.94 0.00 4.42 1.43 0.02 -4.74 118.68 122.16 2fee s LEU 146 Ca 0.03 -1.66 -0.22 0.00 -1.03 0.00 0.00 54.13 51.25 2fee s LEU 146 Cb -0.12 -0.02 0.08 0.00 0.03 0.00 0.00 46.19 46.15 2fee s LEU 146 CO 0.00 -0.93 1.04 0.61 0.23 0.00 0.00 176.35 177.30 2fee n GLY 147 N -0.84 0.51 2.91 -3.19 0.00 -1.08 -1.07 105.19 102.43 2fee n GLY 147 Ca -0.04 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2fee n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fee s LEU 149 N -0.20 4.14 -0.34 0.00 2.96 -0.10 -2.47 118.68 122.67 2fee s LEU 149 Ca -0.02 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 2fee s LEU 149 Cb -0.02 -2.34 0.10 0.00 0.50 0.00 0.00 46.19 44.43 2fee s LEU 149 CO -0.00 -0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 2fee s VAL 150 N 1.17 2.42 0.19 1.68 1.01 0.31 -1.61 120.40 125.57 2fee s VAL 150 Ca 0.14 -2.20 0.09 0.00 0.00 0.00 0.00 61.98 60.01 2fee s VAL 150 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2fee s VAL 150 CO 0.06 -0.53 -0.18 -1.59 0.00 0.00 0.00 175.10 172.86 2fee s LYS 151 N 0.97 1.35 -0.61 2.72 -2.85 -0.70 0.11 119.74 120.73 2fee s LYS 151 Ca 0.08 -1.51 -0.02 0.00 -1.00 0.00 0.00 55.97 53.52 2fee s LYS 151 Cb -0.20 -1.35 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 2fee s LYS 151 CO -0.07 0.26 0.52 0.41 0.10 0.00 0.00 175.35 176.57 2fee n GLY 152 N -0.00 0.17 3.56 0.59 0.00 -0.77 -0.75 105.19 107.98 2fee n GLY 152 Ca -0.11 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 2fee n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fee s TYR 153 N -3.16 2.50 -0.14 1.61 -0.85 -1.14 -4.31 117.35 111.87 2fee s TYR 153 Ca 0.15 -0.27 -0.24 0.00 -0.52 0.00 0.00 57.07 56.19 2fee s TYR 153 Cb -0.07 -1.11 0.06 0.00 0.38 0.00 0.00 41.96 41.22 2fee s TYR 153 CO 0.34 0.66 0.61 0.12 -1.52 0.00 0.00 175.55 175.76 2fee s PHE 154 N -2.35 -0.62 0.00 -3.49 5.36 -1.10 -0.15 117.98 115.63 2fee s PHE 154 Ca 0.30 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 2fee s PHE 154 Cb -0.06 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2fee s PHE 154 CO 0.17 -0.44 0.00 -0.35 -1.46 0.00 0.00 175.22 173.14 2fee n PRO 155 N 1.87 2.86 -3.24 10.12 -0.04 -1.26 0.08 135.00 145.40 2fee n PRO 155 Ca -0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.03 2fee n PRO 155 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2fee n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fee s GLU 156 N 1.32 3.57 0.20 0.54 0.41 -1.26 -4.78 118.70 118.70 2fee s GLU 156 Ca 0.00 -0.08 0.02 0.00 -0.41 0.00 0.00 54.97 54.50 2fee s GLU 156 Cb 0.00 -2.61 0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2fee s GLU 156 CO 0.00 0.12 0.19 -0.35 -0.49 0.00 0.00 175.26 174.73 2fee n PRO 157 N -1.44 1.11 -4.28 0.39 -0.04 -1.26 -4.83 135.00 124.64 2fee n PRO 157 Ca -0.02 -1.23 -0.16 0.00 -0.04 0.00 0.00 63.50 62.04 2fee n PRO 157 Cb 0.55 0.08 -0.10 0.00 -0.04 0.00 0.00 33.50 33.99 2fee n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2fee s VAL 158 N -0.82 1.40 -0.08 0.52 -7.23 -1.26 -4.35 120.40 108.57 2fee s VAL 158 Ca 0.14 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2fee s VAL 158 Cb -0.01 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2fee s VAL 158 CO 0.09 -0.66 -0.14 0.42 -0.31 0.00 0.00 175.10 174.50 2fee s THR 159 N -3.08 1.31 -0.13 5.32 -4.23 -0.79 -4.97 115.64 109.07 2fee s THR 159 Ca 0.18 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2fee s THR 159 Cb 0.01 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 2fee s THR 159 CO 0.03 0.40 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.69 2fee s VAL 160 N 0.79 3.08 0.15 2.29 1.01 -1.26 -2.05 120.40 124.41 2fee s VAL 160 Ca -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2fee s VAL 160 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2fee s VAL 160 CO 0.02 0.52 -0.14 0.42 0.00 0.00 0.00 175.10 175.93 2fee s THR 161 N 0.35 1.45 -0.12 3.92 -4.23 -1.01 -4.98 115.64 111.02 2fee s THR 161 Ca -0.11 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2fee s THR 161 Cb -0.16 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 2fee s THR 161 CO 0.06 -0.53 -0.10 0.26 -0.54 0.00 0.00 174.62 173.77 2fee s TRP 162 N -2.61 2.87 -1.15 3.99 0.52 -1.25 -0.82 118.94 120.48 2fee s TRP 162 Ca 0.15 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.58 2fee s TRP 162 Cb -0.02 -1.83 0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2fee s TRP 162 CO 0.04 -0.03 0.67 0.09 0.02 0.00 0.00 176.95 177.73 2fee n ASN 163 N 3.18 -4.23 -3.88 2.95 3.02 0.39 -1.34 115.26 115.36 2fee n ASN 163 Ca -0.18 -1.26 -0.31 0.00 -0.03 0.00 0.00 54.58 52.81 2fee n ASN 163 Cb 0.53 -1.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 2fee n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fee n SER 164 N -2.22 -2.83 0.00 6.41 7.64 -1.26 -0.84 113.62 120.52 2fee n SER 164 Ca -0.15 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2fee n SER 164 Cb 0.58 -2.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.41 2fee n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fee n GLY 165 N -1.15 2.85 0.30 0.23 0.00 -0.45 -4.88 105.19 102.10 2fee n GLY 165 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2fee n GLY 165 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fee h SER 166 N 0.00 0.00 -3.45 1.61 4.64 -0.97 -3.29 113.55 112.08 2fee h SER 166 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 2fee h SER 166 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 2fee h SER 166 CO 0.00 0.00 -0.44 -0.22 -0.87 0.00 0.00 176.83 175.30 2fee s LEU 167 N -8.12 5.16 0.00 5.97 2.96 -0.95 -4.86 118.68 118.84 2fee s LEU 167 Ca -0.05 -1.27 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 2fee s LEU 167 Cb 0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2fee s LEU 167 CO 0.59 -0.52 0.00 0.00 -1.32 0.00 0.00 176.35 175.10 2fee n ALA 168 N 5.04 2.17 -2.08 5.97 0.00 -1.24 -3.90 120.51 126.47 2fee n ALA 168 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 2fee n ALA 168 Cb 0.44 0.47 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 2fee n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee s ALA 169 N -1.96 3.60 0.00 0.00 0.00 -1.26 -3.25 121.76 118.90 2fee s ALA 169 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2fee s ALA 169 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2fee s ALA 169 CO 0.00 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2fee n GLY 170 N 4.08 0.96 3.15 0.00 0.00 -1.26 -4.76 105.19 107.36 2fee n GLY 170 Ca 0.17 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2fee n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fee s VAL 171 N -2.54 1.83 0.29 1.61 1.01 -1.20 -1.66 120.40 119.74 2fee s VAL 171 Ca 0.00 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.21 2fee s VAL 171 Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2fee s VAL 171 CO 0.00 0.51 0.07 -1.00 0.00 0.00 0.00 175.10 174.68 2fee s HIS 172 N 0.64 2.74 -0.18 5.22 3.76 0.04 -4.99 115.29 122.52 2fee s HIS 172 Ca -0.13 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 2fee s HIS 172 Cb -0.16 -1.38 0.09 0.00 1.11 0.00 0.00 32.58 32.23 2fee s HIS 172 CO 0.03 0.51 0.34 0.99 -0.85 0.00 0.00 174.74 175.76 2fee s THR 173 N -2.35 -0.54 0.29 1.30 2.01 -1.26 -2.20 115.64 112.90 2fee s THR 173 Ca 0.34 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 2fee s THR 173 Cb -0.05 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.77 2fee s THR 173 CO 0.21 0.05 0.93 -0.36 -0.69 0.00 0.00 174.62 174.76 2fee s PHE 174 N 2.51 3.79 0.33 4.92 0.08 -0.95 -4.98 117.98 123.68 2fee s PHE 174 Ca 0.02 1.80 -0.29 0.00 0.12 0.00 0.00 56.93 58.58 2fee s PHE 174 Cb -0.13 -2.92 -0.12 0.00 -0.57 0.00 0.00 43.02 39.28 2fee s PHE 174 CO -0.11 0.30 1.37 -2.30 -0.10 0.00 0.00 175.22 174.38 2fee n PRO 175 N 0.88 2.27 -1.85 0.24 -0.02 -1.26 -4.58 135.00 130.68 2fee n PRO 175 Ca 0.00 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 2fee n PRO 175 Cb 0.49 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2fee n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fee s ALA 176 N -0.87 2.98 0.08 3.55 0.00 -1.26 -4.84 121.76 121.40 2fee s ALA 176 Ca 0.57 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.90 2fee s ALA 176 Cb -0.56 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2fee s ALA 176 CO 0.60 -1.22 0.02 0.14 0.00 0.00 0.00 175.76 175.30 2fee s VAL 177 N -1.29 4.17 -0.04 0.00 -7.23 0.00 -4.87 120.40 111.15 2fee s VAL 177 Ca 0.67 -0.91 -0.16 0.00 -1.81 0.00 0.00 61.98 59.77 2fee s VAL 177 Cb -0.40 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 2fee s VAL 177 CO 0.49 0.13 0.43 -0.22 -0.31 0.00 0.00 175.10 175.62 2fee s LEU 178 N -2.30 4.41 -0.24 1.32 2.96 -1.26 -1.36 118.68 122.21 2fee s LEU 178 Ca 0.26 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2fee s LEU 178 Cb -0.12 -2.62 0.13 0.00 0.50 0.00 0.00 46.19 44.08 2fee s LEU 178 CO 0.19 0.22 0.35 -1.58 -1.32 0.00 0.00 176.35 174.22 2fee s GLN 179 N -0.53 0.33 -1.17 1.98 0.74 0.24 -4.93 119.66 116.31 2fee s GLN 179 Ca 0.24 0.46 -0.13 0.00 0.05 0.00 0.00 55.36 55.98 2fee s GLN 179 Cb -0.16 -0.59 -0.02 0.00 1.10 0.00 0.00 33.01 33.34 2fee s GLN 179 CO 0.12 -0.67 0.78 0.00 -0.55 0.00 0.00 175.29 174.98 2fee n ALA 180 N 5.36 -2.40 -3.04 1.58 0.00 -1.26 -2.58 120.51 118.17 2fee n ALA 180 Ca -0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 2fee n ALA 180 Cb 0.50 -3.87 -0.00 0.00 0.00 0.00 0.00 19.45 16.08 2fee n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fee n ALA 181 N -4.03 -0.97 -2.89 0.00 0.00 -1.26 -4.99 120.51 106.37 2fee n ALA 181 Ca -0.14 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 2fee n ALA 181 Cb 0.62 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 2fee n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2fee s LEU 182 N -6.17 1.94 0.11 0.00 1.43 -1.06 -4.82 118.68 110.11 2fee s LEU 182 Ca 0.26 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2fee s LEU 182 Cb -0.14 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 2fee s LEU 182 CO 0.32 0.02 0.33 -0.31 0.23 0.00 0.00 176.35 176.93 2fee s TYR 183 N 0.03 3.50 -0.00 0.29 1.51 0.79 -0.59 117.35 122.87 2fee s TYR 183 Ca 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 56.56 2fee s TYR 183 Cb -0.02 -1.95 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2fee s TYR 183 CO -0.00 0.49 -0.01 0.99 -1.11 0.00 0.00 175.55 175.91 2fee s THR 184 N -1.58 0.06 0.06 -0.71 2.01 -0.46 -1.84 115.64 113.17 2fee s THR 184 Ca 0.38 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2fee s THR 184 Cb -0.12 -0.06 0.03 0.00 0.01 0.00 0.00 72.50 72.36 2fee s THR 184 CO 0.24 0.01 0.40 -1.48 -0.69 0.00 0.00 174.62 173.10 2fee s LEU 185 N -0.03 0.47 0.36 4.42 0.05 0.12 -0.82 118.68 123.24 2fee s LEU 185 Ca 0.00 -0.11 0.09 0.00 0.05 0.00 0.00 54.13 54.16 2fee s LEU 185 Cb -0.00 1.71 -0.07 0.00 -2.05 0.00 0.00 46.19 45.78 2fee s LEU 185 CO -0.00 -0.71 -0.07 -0.94 -0.55 0.00 0.00 176.35 174.08 2fee s SER 186 N -2.22 3.79 -0.05 1.48 1.04 -1.26 0.11 113.70 116.59 2fee s SER 186 Ca -0.03 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 2fee s SER 186 Cb -0.00 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.79 2fee s SER 186 CO -0.05 -0.25 0.08 -0.55 0.98 0.00 0.00 173.24 173.45 2fee s SER 187 N -3.63 0.76 0.29 7.02 0.15 -1.03 -2.24 113.70 115.02 2fee s SER 187 Ca 0.33 0.14 0.07 0.00 0.70 0.00 0.00 55.95 57.18 2fee s SER 187 Cb 0.04 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2fee s SER 187 CO 0.17 -0.22 0.32 -0.94 1.20 0.00 0.00 173.24 173.77 2fee s SER 188 N 1.90 5.71 -0.15 5.45 1.04 -0.93 -1.97 113.70 124.76 2fee s SER 188 Ca 0.01 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 2fee s SER 188 Cb -0.12 -1.32 0.06 0.00 0.10 0.00 0.00 66.02 64.73 2fee s SER 188 CO -0.04 -0.23 0.57 0.54 0.98 0.00 0.00 173.24 175.06 2fee s VAL 189 N -2.17 0.01 -0.06 5.02 0.11 -0.23 -0.78 120.40 122.30 2fee s VAL 189 Ca 0.38 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 2fee s VAL 189 Cb -0.08 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2fee s VAL 189 CO 0.28 -0.04 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.98 2fee s THR 190 N -0.33 1.27 0.34 5.04 2.01 -0.66 -0.80 115.64 122.50 2fee s THR 190 Ca -0.05 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2fee s THR 190 Cb -0.03 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 2fee s THR 190 CO 0.04 0.38 0.03 0.68 -0.69 0.00 0.00 174.62 175.06 2fee s VAL 191 N 0.47 1.43 0.32 3.82 -7.23 0.01 -4.79 120.40 114.42 2fee s VAL 191 Ca -0.12 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 2fee s VAL 191 Cb -0.15 -2.80 -0.12 0.00 0.56 0.00 0.00 36.38 33.88 2fee s VAL 191 CO 0.04 -0.04 1.47 -2.65 -0.31 0.00 0.00 175.10 173.61 2fee n PRO 192 N -0.74 2.47 -0.20 4.82 -0.02 -1.26 -0.83 135.00 139.23 2fee n PRO 192 Ca -0.03 0.87 -0.03 0.00 -2.02 0.00 0.00 63.50 62.29 2fee n PRO 192 Cb 0.66 -2.58 0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2fee n PRO 192 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2fee h SER 193 N 3.75 0.47 0.00 2.55 0.87 -0.61 -1.54 113.55 119.05 2fee h SER 193 Ca -0.47 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2fee h SER 193 Cb 1.25 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2fee h SER 193 CO 0.71 0.31 0.00 -1.54 -0.53 0.00 0.00 176.83 175.79 2fee n SER 194 N -4.83 1.30 0.00 6.23 3.41 -1.26 -2.12 113.62 116.35 2fee n SER 194 Ca 0.06 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2fee n SER 194 Cb 0.15 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2fee n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2fee n SER 195 N 1.36 0.00 -3.72 4.04 2.88 -0.59 -5.04 113.62 112.55 2fee n SER 195 Ca 0.00 -0.07 -0.14 0.00 -1.33 0.00 0.00 58.87 57.33 2fee n SER 195 Cb 0.15 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.53 2fee n SER 195 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2fee s TRP 196 N 0.00 -0.30 -0.35 0.66 -0.00 -0.90 -3.17 118.94 114.88 2fee s TRP 196 Ca 0.00 0.55 0.20 0.00 -0.00 0.00 0.00 56.10 56.85 2fee s TRP 196 Cb 0.00 0.15 1.02 0.00 -0.00 0.00 0.00 33.47 34.64 2fee s TRP 196 CO 0.00 -0.38 1.62 -2.30 -0.00 0.00 0.00 176.95 175.89 2fee n PRO 197 N 1.58 0.14 0.28 5.86 -0.02 -1.26 -4.67 135.00 136.91 2fee n PRO 197 Ca -0.19 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 61.90 2fee n PRO 197 Cb 0.56 -1.89 0.24 0.00 -0.02 0.00 0.00 33.50 32.39 2fee n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2fee h SER 198 N 0.00 0.00 -3.65 2.55 4.64 -1.88 -3.41 113.55 111.81 2fee h SER 198 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2fee h SER 198 Cb 0.09 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.91 2fee h SER 198 CO 0.00 0.00 -0.47 -0.70 -0.87 0.00 0.00 176.83 174.79 2fee s GLU 199 N -3.76 0.24 -0.05 4.77 2.12 -1.19 -5.07 118.70 115.75 2fee s GLU 199 Ca -0.01 0.38 -0.38 0.00 0.36 0.00 0.00 54.97 55.33 2fee s GLU 199 Cb 0.03 0.03 -0.16 0.00 0.26 0.00 0.00 34.13 34.29 2fee s GLU 199 CO 0.08 -0.08 1.52 2.41 -0.54 0.00 0.00 175.26 178.66 2fee n THR 200 N 3.42 0.14 -4.00 -1.70 -1.04 -1.26 -4.73 114.28 105.11 2fee n THR 200 Ca -0.17 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.50 2fee n THR 200 Cb 0.56 -1.06 -0.15 0.00 -1.82 0.00 0.00 70.33 67.86 2fee n THR 200 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2fee s VAL 201 N 1.78 1.81 -0.04 12.58 1.01 -1.26 -5.02 120.40 131.26 2fee s VAL 201 Ca 0.90 -1.39 0.06 0.00 0.00 0.00 0.00 61.98 61.55 2fee s VAL 201 Cb -0.97 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2fee s VAL 201 CO 0.53 -0.05 -0.23 -0.89 0.00 0.00 0.00 175.10 174.46 2fee s THR 202 N 1.27 1.83 -0.13 3.92 2.01 -1.26 -1.61 115.64 121.67 2fee s THR 202 Ca -0.07 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 2fee s THR 202 Cb -0.19 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2fee s THR 202 CO -0.06 0.52 0.06 0.00 -0.69 0.00 0.00 174.62 174.45 2fee s ASN 204 N -0.49 5.53 0.17 0.00 -0.87 -0.00 -2.29 114.94 116.99 2fee s ASN 204 Ca 0.10 -2.20 -0.10 0.00 -1.57 0.00 0.00 52.86 49.10 2fee s ASN 204 Cb -0.12 -1.93 -0.07 0.00 -0.02 0.00 0.00 41.25 39.11 2fee s ASN 204 CO 0.02 -0.57 0.49 -0.69 -2.57 0.00 0.00 177.10 173.78 2fee s VAL 205 N 0.92 4.98 -0.18 1.60 1.01 0.66 -2.39 120.40 127.00 2fee s VAL 205 Ca 0.10 0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2fee s VAL 205 Cb -0.23 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.59 2fee s VAL 205 CO -0.03 0.07 0.22 0.00 0.00 0.00 0.00 175.10 175.37 2fee s ALA 206 N -1.65 -0.32 -0.45 5.51 0.00 -0.87 -0.92 121.76 123.05 2fee s ALA 206 Ca 0.42 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 2fee s ALA 206 Cb -0.13 -1.23 0.10 0.00 0.00 0.00 0.00 23.12 21.87 2fee s ALA 206 CO 0.21 -1.06 0.31 -1.58 0.00 0.00 0.00 175.76 173.64 2fee s HIS 207 N 2.34 3.39 0.18 0.00 2.46 0.14 -1.88 115.29 121.92 2fee s HIS 207 Ca 0.06 -1.72 -0.13 0.00 0.47 0.00 0.00 55.06 53.74 2fee s HIS 207 Cb -0.15 -3.28 0.15 0.00 -0.13 0.00 0.00 32.58 29.17 2fee s HIS 207 CO -0.11 -0.93 1.77 -1.00 -2.47 0.00 0.00 174.74 171.99 2fee h PRO 208 N 8.44 0.41 -0.98 2.88 0.13 -1.79 0.23 132.00 141.32 2fee h PRO 208 Ca -0.22 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.04 2fee h PRO 208 Cb 1.08 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.03 2fee h PRO 208 CO 0.82 0.27 0.61 0.00 -0.23 0.00 0.00 178.00 179.48 2fee h ALA 209 N 1.30 1.68 -0.51 -0.56 0.00 -1.92 0.23 119.26 119.48 2fee h ALA 209 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2fee h ALA 209 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2fee h ALA 209 CO -0.20 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 2fee n SER 210 N -4.65 3.54 -3.52 0.00 3.41 -1.22 -4.97 113.62 106.22 2fee n SER 210 Ca 0.20 -2.11 -0.26 0.00 -0.26 0.00 0.00 58.87 56.45 2fee n SER 210 Cb 0.48 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 2fee n SER 210 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fee n SER 211 N 0.92 -4.75 -4.88 4.04 7.64 0.81 -4.97 113.62 112.44 2fee n SER 211 Ca 0.18 -0.53 -0.34 0.00 1.01 0.00 0.00 58.87 59.19 2fee n SER 211 Cb 0.57 -3.84 -0.05 0.00 -1.01 0.00 0.00 64.21 59.88 2fee n SER 211 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2fee s THR 212 N -3.14 5.31 -0.05 0.44 2.01 0.72 -4.96 115.64 115.97 2fee s THR 212 Ca 0.49 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.40 2fee s THR 212 Cb -0.25 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 2fee s THR 212 CO 0.61 0.39 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.19 2fee s LYS 213 N -1.73 2.08 -0.02 4.92 1.02 -1.26 -0.69 119.74 124.07 2fee s LYS 213 Ca 0.24 -0.70 0.08 0.00 0.02 0.00 0.00 55.97 55.61 2fee s LYS 213 Cb -0.12 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2fee s LYS 213 CO 0.15 0.26 -0.25 0.08 -0.92 0.00 0.00 175.35 174.67 2fee s VAL 214 N 0.05 1.97 -0.68 3.17 1.01 -0.10 -4.99 120.40 120.83 2fee s VAL 214 Ca -0.06 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.90 2fee s VAL 214 Cb -0.13 -1.64 0.20 0.00 0.00 0.00 0.00 36.38 34.82 2fee s VAL 214 CO 0.03 0.55 0.59 0.47 0.00 0.00 0.00 175.10 176.74 2fee n ASP 215 N 2.43 3.25 -4.75 3.32 8.00 -1.26 -0.25 116.55 127.30 2fee n ASP 215 Ca -0.16 -3.29 -0.40 0.00 0.71 0.00 0.00 54.79 51.65 2fee n ASP 215 Cb 0.51 -0.72 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 2fee n ASP 215 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2fee s LYS 216 N -1.85 4.75 -0.16 -1.24 2.47 -0.97 -4.83 119.74 117.90 2fee s LYS 216 Ca 0.31 1.62 0.01 0.00 -1.56 0.00 0.00 55.97 56.35 2fee s LYS 216 Cb 0.04 -3.25 0.01 0.00 -1.46 0.00 0.00 37.83 33.16 2fee s LYS 216 CO -0.11 0.35 -0.19 0.21 0.16 0.00 0.00 175.35 175.77 2fee s LYS 217 N -1.12 3.07 -0.72 4.03 2.20 -1.26 -0.25 119.74 125.69 2fee s LYS 217 Ca 0.43 -0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 2fee s LYS 217 Cb -0.28 -2.55 0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2fee s LYS 217 CO 0.35 -0.09 1.33 0.42 -0.36 0.00 0.00 175.35 177.00 2fee s ILE 218 N 1.03 3.70 -0.13 5.43 -1.09 -0.63 -4.98 121.20 124.53 2fee s ILE 218 Ca -0.02 0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.57 2fee s ILE 218 Cb -0.14 -4.81 -0.02 0.00 -1.58 0.00 0.00 42.46 35.90 2fee s ILE 218 CO -0.06 -1.74 0.79 0.68 -1.23 0.00 0.00 174.94 173.39 2fee s VAL 219 N 6.03 4.94 1.10 2.92 -7.23 -1.26 -4.81 120.40 122.08 2fee s VAL 219 Ca 0.39 1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 61.97 2fee s VAL 219 Cb -0.08 -4.11 0.14 0.00 0.56 0.00 0.00 36.38 32.88 2fee s VAL 219 CO 0.16 0.11 0.35 -0.81 -0.31 0.00 0.00 175.10 174.60 2fee n PRO 220 N 4.68 -1.52 -3.00 4.82 -0.04 -1.26 -4.73 135.00 133.94 2fee n PRO 220 Ca 0.02 -0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 62.64 2fee n PRO 220 Cb 0.50 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2fee n PRO 220 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2fee s ARG 221 N -3.74 3.31 0.00 0.54 0.52 -1.26 -5.08 118.95 113.24 2fee s ARG 221 Ca 0.59 -0.34 0.28 0.00 -0.52 0.00 0.00 55.73 55.75 2fee s ARG 221 Cb -0.17 -3.99 1.12 0.00 0.52 0.00 0.00 34.95 32.43 2fee s ARG 221 CO 0.66 -1.19 1.79 0.00 0.02 0.00 0.00 175.30 176.57