#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlr n TYR 2 N 0.00 1.01 -2.52 1.43 0.18 -1.26 -4.92 117.16 111.07 3mlr n TYR 2 Ca 0.00 0.65 -0.38 0.00 1.88 0.00 0.00 57.90 60.05 3mlr n TYR 2 Cb 0.00 -2.21 -0.04 0.00 -0.38 0.00 0.00 39.34 36.71 3mlr n TYR 2 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3mlr s ASP 3 N -0.67 6.91 -0.26 9.48 1.01 -1.26 -4.94 116.67 126.93 3mlr s ASP 3 Ca 0.61 2.11 -0.06 0.00 0.71 0.00 0.00 52.55 55.91 3mlr s ASP 3 Cb -0.65 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 40.68 3mlr s ASP 3 CO 0.59 -0.39 0.05 -0.76 0.21 0.00 0.00 175.17 174.86 3mlr s LEU 4 N -2.28 3.46 -0.21 1.23 1.43 -1.26 -4.35 118.68 116.70 3mlr s LEU 4 Ca 0.54 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3mlr s LEU 4 Cb -0.25 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3mlr s LEU 4 CO 0.32 -0.09 0.13 -0.89 0.23 0.00 0.00 176.35 176.04 3mlr s THR 5 N 1.54 5.30 0.10 5.49 2.01 0.52 -3.76 115.64 126.84 3mlr s THR 5 Ca 0.05 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.26 3mlr s THR 5 Cb -0.16 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3mlr s THR 5 CO 0.01 0.42 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.11 3mlr s GLN 6 N 0.53 0.96 0.15 4.92 -0.21 -1.26 -0.94 119.66 123.81 3mlr s GLN 6 Ca 0.07 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 54.04 3mlr s GLN 6 Cb -0.12 -0.97 -0.08 0.00 1.00 0.00 0.00 33.01 32.85 3mlr s GLN 6 CO -0.00 0.21 1.28 -2.14 -2.12 0.00 0.00 175.29 172.52 3mlr s PRO 7 N -2.14 4.40 0.54 2.91 0.02 -1.26 -4.85 135.00 134.62 3mlr s PRO 7 Ca 0.04 1.96 0.27 0.00 0.02 0.00 0.00 61.00 63.29 3mlr s PRO 7 Cb -0.08 -3.25 1.54 0.00 0.02 0.00 0.00 34.50 32.73 3mlr s PRO 7 CO 0.03 -0.26 2.13 -1.00 -0.33 0.00 0.00 177.00 177.57 3mlr h PRO 8 N 5.95 0.00 -3.26 5.54 0.13 -1.96 -3.36 132.00 135.03 3mlr h PRO 8 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 3mlr h PRO 8 Cb 1.21 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.12 3mlr h PRO 8 CO 0.80 0.08 -0.42 -1.54 -0.23 0.00 0.00 178.00 176.69 3mlr s SER 9 N -6.26 -0.13 -0.02 1.44 1.04 -1.26 -1.04 113.70 107.47 3mlr s SER 9 Ca -0.04 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3mlr s SER 9 Cb 0.14 0.34 0.03 0.00 0.10 0.00 0.00 66.02 66.63 3mlr s SER 9 CO 0.58 -0.29 0.02 -0.69 0.98 0.00 0.00 173.24 173.85 3mlr s VAL 11 N -0.82 0.02 0.05 5.02 1.01 -0.79 -4.92 120.40 119.98 3mlr s VAL 11 Ca -0.09 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3mlr s VAL 11 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3mlr s VAL 11 CO 0.02 0.11 -0.10 -0.55 0.00 0.00 0.00 175.10 174.58 3mlr s SER 12 N 1.04 4.40 0.01 3.32 0.15 -1.26 -0.78 113.70 120.58 3mlr s SER 12 Ca -0.09 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 3mlr s SER 12 Cb -0.13 -0.90 0.03 0.00 -1.71 0.00 0.00 66.02 63.31 3mlr s SER 12 CO -0.02 0.23 0.40 0.54 1.20 0.00 0.00 173.24 175.59 3mlr s VAL 13 N -1.08 0.05 0.05 4.45 0.11 -0.27 -4.95 120.40 118.77 3mlr s VAL 13 Ca 0.19 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.68 3mlr s VAL 13 Cb -0.11 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 33.84 3mlr s VAL 13 CO 0.10 -0.23 0.43 -0.44 -3.33 0.00 0.00 175.10 171.63 3mlr s SER 14 N -1.68 6.77 0.16 3.54 0.01 -1.26 -1.12 113.70 120.12 3mlr s SER 14 Ca -0.09 0.94 -0.34 0.00 1.31 0.00 0.00 55.95 57.77 3mlr s SER 14 Cb -0.02 -2.24 -0.16 0.00 0.21 0.00 0.00 66.02 63.82 3mlr s SER 14 CO 0.01 0.24 1.25 -2.65 0.41 0.00 0.00 173.24 172.50 3mlr n PRO 15 N 1.34 1.32 0.00 12.44 -0.02 -1.26 -1.47 135.00 147.35 3mlr n PRO 15 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3mlr n PRO 15 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3mlr n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlr n GLY 16 N 2.22 3.13 3.95 -1.23 0.00 0.79 -4.92 105.19 109.12 3mlr n GLY 16 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3mlr n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlr s GLN 17 N -0.39 2.00 -0.07 1.61 -0.21 -0.54 -3.67 119.66 118.40 3mlr s GLN 17 Ca 0.00 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 54.76 3mlr s GLN 17 Cb 0.00 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 3mlr s GLN 17 CO 0.00 -1.31 0.31 0.99 -2.12 0.00 0.00 175.29 173.16 3mlr s THR 18 N -3.22 5.22 -0.03 -0.19 2.01 -1.26 -2.38 115.64 115.79 3mlr s THR 18 Ca 0.62 0.61 0.05 0.00 0.31 0.00 0.00 61.69 63.28 3mlr s THR 18 Cb -0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3mlr s THR 18 CO 0.44 0.55 -0.17 0.00 -0.69 0.00 0.00 174.62 174.76 3mlr s ALA 19 N -0.76 2.56 -0.06 7.40 0.00 -0.02 -4.96 121.76 125.92 3mlr s ALA 19 Ca 0.20 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3mlr s ALA 19 Cb -0.15 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3mlr s ALA 19 CO 0.09 0.56 -0.21 0.45 0.00 0.00 0.00 175.76 176.65 3mlr s SER 20 N -0.86 2.60 -0.14 0.00 0.15 -1.26 -0.43 113.70 113.75 3mlr s SER 20 Ca 0.12 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3mlr s SER 20 Cb -0.10 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.39 3mlr s SER 20 CO 0.01 0.18 -0.19 -0.63 1.20 0.00 0.00 173.24 173.81 3mlr s ILE 21 N 0.06 1.85 0.40 6.45 1.01 0.29 -4.97 121.20 126.30 3mlr s ILE 21 Ca -0.07 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3mlr s ILE 21 Cb -0.14 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 3mlr s ILE 21 CO 0.04 0.51 0.63 -0.94 0.00 0.00 0.00 174.94 175.18 3mlr s SER 22 N 1.08 6.13 -0.23 3.58 1.04 -1.26 -0.77 113.70 123.27 3mlr s SER 22 Ca -0.02 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 3mlr s SER 22 Cb -0.14 -1.90 0.11 0.00 0.10 0.00 0.00 66.02 64.19 3mlr s SER 22 CO -0.06 -0.48 0.45 0.00 0.98 0.00 0.00 173.24 174.13 3mlr s SER 24 N 2.64 3.29 -0.18 0.00 0.01 -0.12 -0.22 113.70 119.13 3mlr s SER 24 Ca 0.04 -0.47 -0.28 0.00 1.31 0.00 0.00 55.95 56.55 3mlr s SER 24 Cb -0.13 -0.41 0.07 0.00 0.21 0.00 0.00 66.02 65.76 3mlr s SER 24 CO -0.15 0.29 0.73 -0.83 0.41 0.00 0.00 173.24 173.70 3mlr s GLY 25 N -0.94 -0.53 0.44 3.44 0.00 -0.97 -0.35 107.32 108.41 3mlr s GLY 25 Ca 0.11 1.78 0.19 0.00 0.00 0.00 0.00 44.72 46.80 3mlr s GLY 25 CO 0.01 1.42 1.88 -0.55 0.00 0.00 0.00 173.10 175.86 3mlr h ASP 26 N 4.09 0.35 -0.22 1.64 3.32 -1.86 -2.33 116.42 121.40 3mlr h ASP 26 Ca -0.28 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3mlr h ASP 26 Cb 1.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3mlr h ASP 26 CO 0.20 0.15 0.00 0.29 -1.72 0.00 0.00 179.24 178.16 3mlr n LYS 27 N -4.47 1.90 0.05 3.56 5.02 -1.26 -4.63 118.16 118.32 3mlr n LYS 27 Ca 0.18 -1.81 0.18 0.00 -2.02 0.00 0.00 58.31 54.84 3mlr n LYS 27 Cb 0.68 -1.34 0.69 0.00 -0.02 0.00 0.00 35.03 35.03 3mlr n LYS 27 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3mlr h LEU 28 N 3.06 0.00 -2.77 -0.35 3.38 -1.68 -1.70 115.31 115.26 3mlr h LEU 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mlr h LEU 28 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3mlr h LEU 28 CO 0.00 0.00 0.01 -2.24 0.09 0.00 0.00 178.44 176.30 3mlr h ASP 29 N 0.00 0.00 0.00 -0.43 2.03 -1.79 -2.37 116.42 113.86 3mlr h ASP 29 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 3mlr h ASP 29 Cb 0.85 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 3mlr h ASP 29 CO -0.00 0.00 -0.18 -0.90 -1.03 0.00 0.00 179.24 177.13 3mlr n ASP 30 N -2.97 1.20 -4.15 4.15 5.75 -0.66 -4.99 116.55 114.87 3mlr n ASP 30 Ca -0.03 -2.33 -0.29 0.00 -0.01 0.00 0.00 54.79 52.14 3mlr n ASP 30 Cb 0.08 -0.24 -0.17 0.00 -1.03 0.00 0.00 41.12 39.76 3mlr n ASP 30 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mlr s LYS 31 N -1.28 2.43 0.28 0.11 3.01 -0.89 -5.11 119.74 118.28 3mlr s LYS 31 Ca 0.13 -0.70 -0.29 0.00 -1.01 0.00 0.00 55.97 54.09 3mlr s LYS 31 Cb 0.11 -1.91 -0.10 0.00 -1.01 0.00 0.00 37.83 34.92 3mlr s LYS 31 CO 0.01 0.15 1.39 0.71 0.51 0.00 0.00 175.35 178.12 3mlr s TYR 32 N 0.37 3.02 -0.03 3.18 2.02 -1.26 -4.79 117.35 119.86 3mlr s TYR 32 Ca -0.15 1.18 0.02 0.00 -0.37 0.00 0.00 57.07 57.75 3mlr s TYR 32 Cb -0.16 -3.77 -0.03 0.00 -0.40 0.00 0.00 41.96 37.60 3mlr s TYR 32 CO 0.06 -2.36 -0.07 0.08 -1.57 0.00 0.00 175.55 171.69 3mlr s VAL 33 N -0.43 3.64 0.18 0.71 1.01 -1.26 -4.43 120.40 119.82 3mlr s VAL 33 Ca 0.55 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3mlr s VAL 33 Cb -0.41 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3mlr s VAL 33 CO 0.47 0.49 -0.19 -0.44 0.00 0.00 0.00 175.10 175.43 3mlr s SER 34 N -1.12 2.84 0.04 3.32 0.01 -0.07 -0.59 113.70 118.13 3mlr s SER 34 Ca 0.15 -0.88 0.06 0.00 1.31 0.00 0.00 55.95 56.59 3mlr s SER 34 Cb -0.11 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 3mlr s SER 34 CO 0.05 -0.01 -0.17 0.26 0.41 0.00 0.00 173.24 173.77 3mlr s TRP 35 N -2.07 1.48 0.04 2.43 0.52 -0.07 -0.34 118.94 120.93 3mlr s TRP 35 Ca 0.18 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.98 3mlr s TRP 35 Cb -0.06 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 3mlr s TRP 35 CO 0.08 0.06 -0.12 0.71 0.02 0.00 0.00 176.95 177.70 3mlr s TYR 36 N -0.81 1.03 -0.02 -1.98 1.51 0.40 -0.80 117.35 116.67 3mlr s TYR 36 Ca 0.04 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3mlr s TYR 36 Cb -0.08 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 3mlr s TYR 36 CO 0.01 0.01 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.90 3mlr s TYR 37 N -0.94 2.85 -0.10 2.71 5.04 0.27 -0.77 117.35 126.41 3mlr s TYR 37 Ca -0.01 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.52 3mlr s TYR 37 Cb -0.08 -1.63 0.05 0.00 0.35 0.00 0.00 41.96 40.66 3mlr s TYR 37 CO 0.01 0.32 0.20 -1.14 -1.34 0.00 0.00 175.55 173.60 3mlr s GLN 38 N -1.16 0.08 0.15 4.97 0.74 0.06 -0.08 119.66 124.42 3mlr s GLN 38 Ca 0.15 0.61 -0.17 0.00 0.05 0.00 0.00 55.36 56.00 3mlr s GLN 38 Cb -0.11 -0.23 -0.07 0.00 1.10 0.00 0.00 33.01 33.70 3mlr s GLN 38 CO 0.05 -0.31 0.61 0.50 -0.55 0.00 0.00 175.29 175.58 3mlr s ARG 39 N 2.34 4.12 -0.12 1.67 3.52 -1.26 -1.37 118.95 127.85 3mlr s ARG 39 Ca 0.03 0.67 -0.40 0.00 -0.13 0.00 0.00 55.73 55.89 3mlr s ARG 39 Cb -0.12 -2.99 -0.18 0.00 -1.56 0.00 0.00 34.95 30.09 3mlr s ARG 39 CO -0.07 0.49 1.35 -2.30 -0.81 0.00 0.00 175.30 173.97 3mlr n PRO 40 N 1.00 0.51 -0.30 5.12 -0.02 -1.26 -0.71 135.00 139.34 3mlr n PRO 40 Ca -0.06 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3mlr n PRO 40 Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3mlr n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mlr n GLY 41 N 2.69 2.37 3.94 -1.23 0.00 -1.26 -5.01 105.19 106.70 3mlr n GLY 41 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 3mlr n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mlr s GLN 42 N -0.00 2.46 0.37 1.61 -1.52 0.12 -5.12 119.66 117.58 3mlr s GLN 42 Ca 0.00 -1.62 -0.11 0.00 -1.95 0.00 0.00 55.36 51.67 3mlr s GLN 42 Cb 0.00 -2.44 -0.07 0.00 -0.22 0.00 0.00 33.01 30.28 3mlr s GLN 42 CO 0.00 -0.47 0.75 -1.12 -0.25 0.00 0.00 175.29 174.20 3mlr s SER 43 N -4.33 6.58 0.76 5.90 0.01 -1.26 -4.66 113.70 116.70 3mlr s SER 43 Ca 0.49 1.14 -0.14 0.00 1.31 0.00 0.00 55.95 58.76 3mlr s SER 43 Cb -0.05 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 63.92 3mlr s SER 43 CO 0.30 -0.33 1.18 -2.84 0.41 0.00 0.00 173.24 171.96 3mlr s PRO 44 N -3.59 1.97 -0.04 12.44 0.02 -1.26 -4.63 135.00 139.90 3mlr s PRO 44 Ca 0.52 1.67 0.02 0.00 0.02 0.00 0.00 61.00 63.22 3mlr s PRO 44 Cb -0.10 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.61 3mlr s PRO 44 CO 0.27 -1.95 -0.07 0.08 -0.33 0.00 0.00 177.00 175.00 3mlr s VAL 45 N -2.18 0.73 0.05 3.83 1.01 0.88 -4.93 120.40 119.79 3mlr s VAL 45 Ca 0.72 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.12 3mlr s VAL 45 Cb -0.27 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 3mlr s VAL 45 CO 0.48 0.26 1.40 -0.22 0.00 0.00 0.00 175.10 177.01 3mlr s LEU 46 N 0.63 4.34 -0.08 3.92 2.96 -1.26 -0.56 118.68 128.62 3mlr s LEU 46 Ca -0.10 2.20 0.08 0.00 -0.22 0.00 0.00 54.13 56.09 3mlr s LEU 46 Cb -0.13 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3mlr s LEU 46 CO 0.01 -0.69 0.04 0.18 -1.32 0.00 0.00 176.35 174.57 3mlr n LEU 47 N 4.78 0.00 -3.54 -0.68 4.77 0.02 -4.84 117.00 117.51 3mlr n LEU 47 Ca 0.12 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3mlr n LEU 47 Cb 0.43 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3mlr n LEU 47 CO 0.59 0.21 0.46 -0.32 -1.33 0.00 0.00 177.39 177.00 3mlr s MET 48 N -2.23 1.00 0.16 3.23 0.00 -1.14 -4.28 119.30 116.03 3mlr s MET 48 Ca -0.04 0.34 -0.09 0.00 0.00 0.00 0.00 55.69 55.90 3mlr s MET 48 Cb 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 34.83 35.32 3mlr s MET 48 CO 0.36 -0.29 0.29 1.52 0.00 0.00 0.00 175.02 176.90 3mlr s TYR 49 N -0.98 0.37 -1.56 4.11 -0.85 0.23 -0.89 117.35 117.77 3mlr s TYR 49 Ca -0.09 -0.74 -0.14 0.00 -0.52 0.00 0.00 57.07 55.58 3mlr s TYR 49 Cb -0.01 -0.04 0.10 0.00 0.38 0.00 0.00 41.96 42.39 3mlr s TYR 49 CO 0.08 -0.72 0.92 0.94 -1.52 0.00 0.00 175.55 175.26 3mlr n GLN 50 N -0.21 -4.95 0.00 -3.49 7.27 -1.12 -0.77 117.38 114.11 3mlr n GLN 50 Ca -0.08 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.54 3mlr n GLN 50 Cb 0.63 -5.38 0.00 0.00 2.41 0.00 0.00 30.24 27.90 3mlr n GLN 50 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3mlr n ASP 51 N -2.80 0.00 0.00 1.69 8.00 0.24 -4.19 116.55 119.49 3mlr n ASP 51 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3mlr n ASP 51 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3mlr n ASP 51 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3mlr n PHE 52 N 0.00 0.00 -3.32 1.24 1.16 -1.15 -3.45 117.46 111.95 3mlr n PHE 52 Ca 0.00 -0.13 -0.38 0.00 -1.87 0.00 0.00 57.45 55.07 3mlr n PHE 52 Cb 0.00 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 37.79 3mlr n PHE 52 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3mlr s LYS 53 N -0.25 4.30 -0.14 3.97 1.02 0.05 -4.53 119.74 124.16 3mlr s LYS 53 Ca 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 55.97 56.24 3mlr s LYS 53 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3mlr s LYS 53 CO 0.00 0.09 0.39 1.03 -0.92 0.00 0.00 175.35 175.94 3mlr s ARG 54 N 0.86 4.30 0.84 1.68 0.52 -1.26 -0.60 118.95 125.29 3mlr s ARG 54 Ca 0.25 0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 55.63 3mlr s ARG 54 Cb -0.15 -3.43 0.10 0.00 0.52 0.00 0.00 34.95 31.99 3mlr s ARG 54 CO 0.10 0.20 1.10 -1.25 0.02 0.00 0.00 175.30 175.47 3mlr s PRO 55 N 0.54 1.69 0.38 3.54 0.04 -1.26 -4.92 135.00 135.01 3mlr s PRO 55 Ca 0.22 0.62 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 3mlr s PRO 55 Cb -0.14 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 3mlr s PRO 55 CO 0.07 -1.89 1.22 -1.13 0.04 0.00 0.00 177.00 175.31 3mlr n SER 56 N -3.61 2.34 0.00 6.66 3.41 -1.26 -2.65 113.62 118.51 3mlr n SER 56 Ca 0.07 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 3mlr n SER 56 Cb 0.57 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 3mlr n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlr n GLY 57 N 0.88 3.28 3.69 5.00 0.00 -1.26 -5.02 105.19 111.75 3mlr n GLY 57 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3mlr n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mlr s ILE 58 N -2.17 4.66 0.56 -0.61 -1.09 -1.08 -5.00 121.20 116.47 3mlr s ILE 58 Ca 0.00 1.94 -0.21 0.00 -2.23 0.00 0.00 60.65 60.15 3mlr s ILE 58 Cb 0.00 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3mlr s ILE 58 CO 0.00 -0.00 1.35 -2.16 -1.23 0.00 0.00 174.94 172.89 3mlr s PRO 59 N 2.11 3.05 0.57 2.79 0.04 -1.26 -4.91 135.00 137.39 3mlr s PRO 59 Ca 0.50 2.20 0.38 0.00 0.04 0.00 0.00 61.00 64.12 3mlr s PRO 59 Cb -0.20 -2.19 1.92 0.00 0.04 0.00 0.00 34.50 34.07 3mlr s PRO 59 CO 0.18 -1.25 2.14 0.93 0.04 0.00 0.00 177.00 179.05 3mlr h GLU 60 N 1.32 0.00 0.00 4.56 5.08 -2.01 -2.20 114.58 121.33 3mlr h GLU 60 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3mlr h GLU 60 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3mlr h GLU 60 CO 0.57 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 181.47 3mlr n ARG 61 N -2.91 0.05 -3.92 2.33 1.85 -1.26 -4.51 116.66 108.28 3mlr n ARG 61 Ca -0.02 0.21 -0.35 0.00 -1.00 0.00 0.00 57.85 56.70 3mlr n ARG 61 Cb 0.13 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.94 3mlr n ARG 61 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3mlr s LEU 62 N -2.91 3.75 0.09 2.89 2.96 -0.83 -0.92 118.68 123.71 3mlr s LEU 62 Ca 0.09 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3mlr s LEU 62 Cb 0.10 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3mlr s LEU 62 CO 0.27 0.11 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.40 3mlr s SER 63 N 0.74 1.19 0.03 3.68 1.04 0.08 -4.94 113.70 115.51 3mlr s SER 63 Ca 0.04 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 55.68 3mlr s SER 63 Cb -0.13 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3mlr s SER 63 CO 0.02 -0.34 -0.17 -0.83 0.98 0.00 0.00 173.24 172.90 3mlr s GLY 64 N -2.53 0.90 0.33 7.32 0.00 -1.26 -0.34 107.32 111.74 3mlr s GLY 64 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 3mlr s GLY 64 CO -0.02 -0.81 0.50 -1.35 0.00 0.00 0.00 173.10 171.42 3mlr s SER 65 N -0.96 0.61 -0.23 1.64 1.04 -0.15 -4.16 113.70 111.49 3mlr s SER 65 Ca 0.05 -1.35 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 3mlr s SER 65 Cb -0.08 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.77 3mlr s SER 65 CO 0.01 -1.30 0.60 -0.75 0.98 0.00 0.00 173.24 172.78 3mlr s LYS 66 N -3.18 0.66 -0.06 4.02 2.20 -1.26 -0.48 119.74 121.63 3mlr s LYS 66 Ca 0.28 0.93 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 3mlr s LYS 66 Cb -0.01 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.58 3mlr s LYS 66 CO 0.17 -0.11 0.03 0.45 -0.36 0.00 0.00 175.35 175.52 3mlr s SER 67 N 0.82 1.42 1.27 1.43 0.15 0.15 -4.99 113.70 113.94 3mlr s SER 67 Ca -0.04 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3mlr s SER 67 Cb -0.05 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 3mlr s SER 67 CO -0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3mlr n GLY 68 N 5.21 2.85 0.90 9.45 0.00 -1.26 -1.67 105.19 120.67 3mlr n GLY 68 Ca -0.05 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3mlr n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlr n LYS 69 N 13.72 2.32 -4.60 1.61 5.02 -1.26 -3.55 118.16 131.41 3mlr n LYS 69 Ca 0.00 -1.36 -0.33 0.00 -2.02 0.00 0.00 58.31 54.60 3mlr n LYS 69 Cb 0.00 -1.56 -0.16 0.00 -0.02 0.00 0.00 35.03 33.28 3mlr n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mlr s THR 70 N -1.68 2.14 -0.01 -0.18 2.01 -0.67 -2.29 115.64 114.96 3mlr s THR 70 Ca 0.24 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3mlr s THR 70 Cb 0.16 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3mlr s THR 70 CO 0.12 0.54 0.20 0.00 -0.69 0.00 0.00 174.62 174.79 3mlr s ALA 71 N 0.86 3.93 -0.04 7.40 0.00 0.69 -0.67 121.76 133.94 3mlr s ALA 71 Ca -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3mlr s ALA 71 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3mlr s ALA 71 CO -0.03 0.72 -0.06 0.99 0.00 0.00 0.00 175.76 177.38 3mlr s THR 72 N -1.31 0.62 -0.22 0.00 2.01 0.36 -0.97 115.64 116.13 3mlr s THR 72 Ca 0.27 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3mlr s THR 72 Cb -0.13 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 3mlr s THR 72 CO 0.17 0.22 0.04 -0.22 -0.69 0.00 0.00 174.62 174.15 3mlr s LEU 73 N 0.58 3.43 -0.16 4.42 2.96 0.05 -0.98 118.68 128.98 3mlr s LEU 73 Ca -0.08 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3mlr s LEU 73 Cb -0.12 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 3mlr s LEU 73 CO 0.01 0.04 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.03 3mlr s THR 74 N 1.17 2.64 -0.33 3.68 2.01 0.54 -0.55 115.64 124.81 3mlr s THR 74 Ca 0.04 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 3mlr s THR 74 Cb -0.14 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.30 3mlr s THR 74 CO 0.03 0.51 0.07 -0.63 -0.69 0.00 0.00 174.62 173.91 3mlr s ILE 75 N 0.86 3.42 0.39 1.82 1.01 0.43 -0.74 121.20 128.38 3mlr s ILE 75 Ca -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 60.65 59.29 3mlr s ILE 75 Cb -0.15 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3mlr s ILE 75 CO -0.01 -0.20 0.59 -0.94 0.00 0.00 0.00 174.94 174.38 3mlr s SER 76 N 1.40 6.07 -1.50 3.58 1.04 -0.09 -0.84 113.70 123.36 3mlr s SER 76 Ca -0.02 0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 3mlr s SER 76 Cb -0.20 -1.74 0.07 0.00 0.10 0.00 0.00 66.02 64.26 3mlr s SER 76 CO 0.01 -0.48 0.95 0.61 0.98 0.00 0.00 173.24 175.31 3mlr n GLY 77 N -1.89 -0.47 3.61 7.32 0.00 -1.23 -4.81 105.19 107.72 3mlr n GLY 77 Ca -0.02 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3mlr n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mlr n THR 78 N -4.65 2.54 -4.23 2.61 -2.24 -1.00 -4.53 114.28 102.77 3mlr n THR 78 Ca -0.00 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 3mlr n THR 78 Cb 0.54 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 3mlr n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mlr s GLN 79 N -2.08 1.01 0.33 -0.78 -2.07 -1.26 -0.15 119.66 114.66 3mlr s GLN 79 Ca 0.64 -1.43 0.09 0.00 -1.82 0.00 0.00 55.36 52.85 3mlr s GLN 79 Cb -0.54 -0.50 0.84 0.00 -1.09 0.00 0.00 33.01 31.72 3mlr s GLN 79 CO 0.56 0.04 1.78 0.77 -1.32 0.00 0.00 175.29 177.13 3mlr h SER 80 N 2.82 0.69 0.30 12.60 0.02 -1.95 0.92 113.55 128.94 3mlr h SER 80 Ca -0.36 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3mlr h SER 80 Cb 1.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3mlr h SER 80 CO 0.64 0.23 0.00 -0.07 -1.14 0.00 0.00 176.83 176.49 3mlr h LEU 81 N 0.66 0.00 -0.45 5.07 3.38 -1.98 -2.03 115.31 119.96 3mlr h LEU 81 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3mlr h LEU 81 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3mlr h LEU 81 CO -0.35 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.65 3mlr n ASP 82 N -2.38 0.55 -4.71 -0.43 8.00 0.32 -4.82 116.55 113.07 3mlr n ASP 82 Ca -0.00 0.62 -0.39 0.00 0.71 0.00 0.00 54.79 55.73 3mlr n ASP 82 Cb 0.12 -0.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.52 3mlr n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mlr n GLU 83 N -2.08 1.56 -1.37 -1.24 1.02 -0.77 -4.87 120.64 112.89 3mlr n GLU 83 Ca 0.03 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3mlr n GLU 83 Cb 0.25 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.22 3mlr n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mlr n GLY 84 N 0.88 0.30 3.79 0.62 0.00 -1.20 -4.87 105.19 104.71 3mlr n GLY 84 Ca 0.11 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3mlr n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mlr s ASP 85 N -4.00 5.80 -0.09 1.61 1.01 -0.47 -0.83 116.67 119.71 3mlr s ASP 85 Ca 0.00 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.52 3mlr s ASP 85 Cb 0.00 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.21 3mlr s ASP 85 CO 0.00 0.32 -0.16 -0.31 0.21 0.00 0.00 175.17 175.23 3mlr s TYR 86 N -1.11 1.87 -0.05 4.23 1.51 0.13 -0.76 117.35 123.16 3mlr s TYR 86 Ca 0.20 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.54 3mlr s TYR 86 Cb -0.12 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3mlr s TYR 86 CO 0.10 -0.38 -0.23 0.71 -1.11 0.00 0.00 175.55 174.64 3mlr s TYR 87 N 0.71 2.28 0.22 2.71 1.51 0.05 -0.88 117.35 123.94 3mlr s TYR 87 Ca -0.13 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3mlr s TYR 87 Cb -0.16 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 3mlr s TYR 87 CO 0.03 -0.20 0.37 0.00 -1.11 0.00 0.00 175.55 174.64 3mlr s GLN 89 N -3.63 0.49 0.15 0.00 -0.44 0.54 -1.01 119.66 115.76 3mlr s GLN 89 Ca 0.36 -0.00 -0.03 0.00 -2.50 0.00 0.00 55.36 53.19 3mlr s GLN 89 Cb -0.10 0.22 0.01 0.00 -1.64 0.00 0.00 33.01 31.50 3mlr s GLN 89 CO 0.30 -0.11 0.24 0.00 0.50 0.00 0.00 175.29 176.21 3mlr n ALA 90 N 1.97 -0.34 -2.40 1.58 0.00 -0.49 -0.89 120.51 119.94 3mlr n ALA 90 Ca -0.18 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 3mlr n ALA 90 Cb 0.57 0.47 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 3mlr n ALA 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mlr s TRP 91 N -4.99 1.82 0.01 0.00 0.52 -1.26 -0.54 118.94 114.49 3mlr s TRP 91 Ca 0.10 -0.79 0.01 0.00 0.02 0.00 0.00 56.10 55.44 3mlr s TRP 91 Cb -0.01 -1.05 -0.01 0.00 -1.15 0.00 0.00 33.47 31.25 3mlr s TRP 91 CO 0.07 0.16 -0.03 0.34 0.02 0.00 0.00 176.95 177.51 3mlr s ASP 92 N -3.40 0.28 -0.05 2.95 2.15 -0.50 -4.85 116.67 113.25 3mlr s ASP 92 Ca 0.29 -0.15 -0.02 0.00 0.43 0.00 0.00 52.55 53.10 3mlr s ASP 92 Cb 0.05 -0.00 0.03 0.00 -0.30 0.00 0.00 42.92 42.70 3mlr s ASP 92 CO 0.11 -0.05 0.11 0.00 -0.17 0.00 0.00 175.17 175.17 3mlr s ALA 93 N -0.37 -0.18 0.05 3.66 0.00 -1.26 -1.22 121.76 122.44 3mlr s ALA 93 Ca -0.03 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 3mlr s ALA 93 Cb -0.03 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.79 3mlr s ALA 93 CO -0.00 -0.13 0.59 -1.54 0.00 0.00 0.00 175.76 174.68 3mlr s SER 94 N 1.01 -0.54 -0.14 0.00 1.04 -0.98 -4.96 113.70 109.13 3mlr s SER 94 Ca -0.08 0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 3mlr s SER 94 Cb -0.11 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3mlr s SER 94 CO -0.04 -0.75 0.02 -0.89 0.98 0.00 0.00 173.24 172.55 3mlr s THR 95 N -2.42 4.47 0.58 2.02 2.01 -1.26 0.02 115.64 121.05 3mlr s THR 95 Ca -0.05 -0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.58 3mlr s THR 95 Cb -0.01 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3mlr s THR 95 CO -0.01 0.53 1.19 0.61 -0.69 0.00 0.00 174.62 176.24 3mlr n GLY 95 N 2.97 0.29 0.37 4.40 0.00 -1.26 -4.87 105.19 107.08 3mlr n GLY 95 Ca -0.18 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.93 3mlr n GLY 95 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3mlr h VAL 95 N 0.90 0.82 0.00 1.61 3.04 -2.08 -3.48 116.25 117.07 3mlr h VAL 95 Ca -0.50 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3mlr h VAL 95 Cb 1.34 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 3mlr h VAL 95 CO 0.54 0.05 -1.01 -1.54 -1.01 0.00 0.00 177.57 174.60 3mlr n SER 95 N -4.45 0.87 -4.28 3.17 3.41 -1.26 -5.31 113.62 105.77 3mlr n SER 95 Ca 0.11 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 3mlr n SER 95 Cb 0.48 0.97 0.23 0.00 -0.26 0.00 0.00 64.21 65.64 3mlr n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlr n GLY 95 N 1.48 -2.43 3.76 5.00 0.00 -1.26 -5.27 105.19 106.48 3mlr n GLY 95 Ca 0.04 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3mlr n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlr s THR 96 N -2.29 2.71 -0.19 2.61 2.01 -1.26 -4.22 115.64 115.01 3mlr s THR 96 Ca 0.62 0.66 -0.05 0.00 0.31 0.00 0.00 61.69 63.23 3mlr s THR 96 Cb -0.18 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3mlr s THR 96 CO 0.64 0.13 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.95 3mlr s LYS 97 N -1.17 3.64 0.01 4.92 2.20 0.10 -4.93 119.74 124.52 3mlr s LYS 97 Ca 0.53 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.58 3mlr s LYS 97 Cb -0.40 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 3mlr s LYS 97 CO 0.49 0.07 0.25 -0.51 -0.36 0.00 0.00 175.35 175.29 3mlr s LEU 98 N 0.84 4.36 -0.04 5.43 1.43 -1.26 -2.33 118.68 127.11 3mlr s LEU 98 Ca 0.00 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3mlr s LEU 98 Cb -0.14 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3mlr s LEU 98 CO 0.02 0.24 -0.02 -0.89 0.23 0.00 0.00 176.35 175.93 3mlr s THR 99 N -1.33 0.38 -0.20 5.49 2.01 -0.36 -5.00 115.64 116.63 3mlr s THR 99 Ca 0.29 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.11 3mlr s THR 99 Cb -0.13 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 3mlr s THR 99 CO 0.18 0.20 0.40 -0.69 -0.69 0.00 0.00 174.62 174.02 3mlr s VAL 100 N 1.08 5.20 -0.09 3.82 1.01 -1.26 -1.40 120.40 128.75 3mlr s VAL 100 Ca -0.09 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.61 3mlr s VAL 100 Cb -0.14 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3mlr s VAL 100 CO -0.01 0.25 -0.07 -0.76 0.00 0.00 0.00 175.10 174.51 3mlr s LEU 101 N 1.30 3.16 0.02 3.92 1.43 0.29 -4.98 118.68 123.83 3mlr s LEU 101 Ca 0.19 -0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3mlr s LEU 101 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3mlr s LEU 101 CO 0.08 0.32 -0.22 -0.36 0.23 0.00 0.00 176.35 176.39 3mlr s PHE 102 N -0.52 1.96 0.78 0.29 0.40 -1.26 -1.40 117.98 118.22 3mlr s PHE 102 Ca 0.08 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 3mlr s PHE 102 Cb -0.12 -1.20 0.06 0.00 0.51 0.00 0.00 43.02 42.27 3mlr s PHE 102 CO 0.02 0.06 1.10 0.20 0.70 0.00 0.00 175.22 177.30 3mlr s GLY 103 N -0.97 1.62 0.00 4.36 0.00 -0.18 -4.51 107.32 107.64 3mlr s GLY 103 Ca 0.09 -0.29 0.22 0.00 0.00 0.00 0.00 44.72 44.73 3mlr s GLY 103 CO 0.01 0.13 1.70 1.22 0.00 0.00 0.00 173.10 176.17 3mlr n ASP 104 N -3.34 0.00 0.00 1.64 8.00 -1.25 -4.70 116.55 116.91 3mlr n ASP 104 Ca 0.07 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3mlr n ASP 104 Cb 0.57 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3mlr n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mlr n GLY 105 N 0.64 1.00 3.04 0.44 0.00 -1.26 -5.05 105.19 104.00 3mlr n GLY 105 Ca 0.08 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 3mlr n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mlr s THR 106 N -2.32 1.35 -0.25 2.61 2.01 -0.06 -4.33 115.64 114.66 3mlr s THR 106 Ca 0.00 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 3mlr s THR 106 Cb 0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 3mlr s THR 106 CO 0.00 0.41 0.51 -0.60 -0.69 0.00 0.00 174.62 174.25 3mlr s ARG 106 N 0.87 4.09 -0.12 4.92 6.06 -0.21 -0.69 118.95 133.86 3mlr s ARG 106 Ca -0.10 0.33 -0.16 0.00 -2.50 0.00 0.00 55.73 53.30 3mlr s ARG 106 Cb -0.15 -3.64 -0.05 0.00 0.06 0.00 0.00 34.95 31.17 3mlr s ARG 106 CO 0.01 -0.32 0.40 -1.17 -2.50 0.00 0.00 175.30 171.72 3mlr s LEU 107 N 2.19 4.29 -0.10 -0.88 2.96 -0.01 -1.88 118.68 125.25 3mlr s LEU 107 Ca 0.21 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 3mlr s LEU 107 Cb -0.16 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 3mlr s LEU 107 CO 0.09 0.08 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.12 3mlr s THR 108 N 0.36 2.59 -0.28 3.68 2.01 0.04 -3.22 115.64 120.82 3mlr s THR 108 Ca 0.22 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3mlr s THR 108 Cb -0.14 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.37 3mlr s THR 108 CO 0.08 0.55 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.85 3mlr s VAL 109 N 0.18 2.95 -1.00 3.82 1.01 -1.26 -1.11 120.40 124.99 3mlr s VAL 109 Ca -0.11 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.37 3mlr s VAL 109 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3mlr s VAL 109 CO 0.06 -0.01 1.86 -0.76 0.00 0.00 0.00 175.10 176.25 3mlr s LEU 110 N 1.28 3.23 0.00 3.92 1.43 -0.27 -4.80 118.68 123.46 3mlr s LEU 110 Ca -0.04 -1.09 0.28 0.00 -1.03 0.00 0.00 54.13 52.25 3mlr s LEU 110 Cb -0.19 -2.57 0.97 0.00 0.03 0.00 0.00 46.19 44.44 3mlr s LEU 110 CO -0.02 -2.55 1.70 0.61 0.23 0.00 0.00 176.35 176.32 3mlr n GLY 111 N 6.57 -0.07 3.44 -3.19 0.00 -1.26 -4.31 105.19 106.36 3mlr n GLY 111 Ca 0.41 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3mlr n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mlr s GLN 112 N -2.08 1.26 0.69 1.61 -2.07 -1.26 -5.10 119.66 112.71 3mlr s GLN 112 Ca 0.35 -0.89 -0.17 0.00 -1.82 0.00 0.00 55.36 52.84 3mlr s GLN 112 Cb 0.21 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.61 3mlr s GLN 112 CO 0.36 -0.51 1.11 -2.30 -1.32 0.00 0.00 175.29 172.63 3mlr n PRO 113 N -0.29 0.73 -2.05 9.60 -0.02 -1.26 -4.92 135.00 136.80 3mlr n PRO 113 Ca -0.11 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 3mlr n PRO 113 Cb 0.63 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3mlr n PRO 113 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mlr s LYS 114 N -3.35 4.29 -0.08 -0.52 2.20 -1.26 -4.77 119.74 116.26 3mlr s LYS 114 Ca 0.77 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 3mlr s LYS 114 Cb -0.36 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 32.88 3mlr s LYS 114 CO 0.46 -0.35 -0.05 0.00 -0.36 0.00 0.00 175.35 175.05 3mlr s ALA 115 N -0.32 0.95 0.45 3.13 0.00 0.36 -4.92 121.76 121.40 3mlr s ALA 115 Ca 0.56 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.02 3mlr s ALA 115 Cb -0.41 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 3mlr s ALA 115 CO 0.46 -0.25 1.16 0.00 0.00 0.00 0.00 175.76 177.13 3mlr s ALA 116 N 1.44 3.00 0.45 0.00 0.00 -1.26 -1.43 121.76 123.95 3mlr s ALA 116 Ca -0.02 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 3mlr s ALA 116 Cb -0.13 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3mlr s ALA 116 CO -0.04 -0.62 0.99 -1.25 0.00 0.00 0.00 175.76 174.85 3mlr s PRO 117 N -2.65 4.04 -0.16 0.00 0.04 -1.26 -4.47 135.00 130.54 3mlr s PRO 117 Ca 0.63 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 3mlr s PRO 117 Cb -0.28 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3mlr s PRO 117 CO 0.35 -0.21 0.13 -1.12 0.04 0.00 0.00 177.00 176.18 3mlr s SER 118 N -2.05 6.27 -0.11 6.66 0.01 -0.05 -4.92 113.70 119.52 3mlr s SER 118 Ca 0.64 0.34 0.03 0.00 1.31 0.00 0.00 55.95 58.27 3mlr s SER 118 Cb -0.13 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 3mlr s SER 118 CO 0.17 0.29 -0.22 -0.69 0.41 0.00 0.00 173.24 173.20 3mlr s VAL 119 N -0.32 2.22 -0.13 3.43 1.01 -1.26 -1.29 120.40 124.07 3mlr s VAL 119 Ca 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3mlr s VAL 119 Cb -0.12 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3mlr s VAL 119 CO 0.01 0.55 -0.13 -0.89 0.00 0.00 0.00 175.10 174.65 3mlr s THR 120 N 0.37 1.39 -0.22 3.92 2.01 -0.41 -4.89 115.64 117.81 3mlr s THR 120 Ca -0.17 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 3mlr s THR 120 Cb -0.18 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 3mlr s THR 120 CO 0.08 0.43 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.21 3mlr s LEU 121 N 1.38 3.12 -0.20 4.42 2.96 -1.26 -0.76 118.68 128.34 3mlr s LEU 121 Ca 0.01 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 3mlr s LEU 121 Cb -0.13 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3mlr s LEU 121 CO -0.07 0.01 0.11 -0.36 -1.32 0.00 0.00 176.35 174.71 3mlr s PHE 122 N 1.34 3.31 0.85 5.38 0.08 0.37 -4.94 117.98 124.37 3mlr s PHE 122 Ca 0.04 0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 3mlr s PHE 122 Cb -0.15 -2.16 0.12 0.00 -0.57 0.00 0.00 43.02 40.26 3mlr s PHE 122 CO 0.00 0.15 1.22 -1.25 -0.10 0.00 0.00 175.22 175.24 3mlr s PRO 123 N 0.59 1.56 0.44 0.24 0.04 -1.26 -1.66 135.00 134.94 3mlr s PRO 123 Ca 0.06 -0.07 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 3mlr s PRO 123 Cb -0.12 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3mlr s PRO 123 CO 0.01 -1.84 1.45 -2.30 0.04 0.00 0.00 177.00 174.35 3mlr n PRO 124 N -3.44 2.35 -2.06 0.56 -0.02 -1.23 -4.81 135.00 126.34 3mlr n PRO 124 Ca 0.10 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 62.09 3mlr n PRO 124 Cb 0.60 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3mlr n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mlr s SER 125 N -0.40 5.94 0.40 2.55 1.04 -1.26 -4.91 113.70 117.06 3mlr s SER 125 Ca 0.60 1.73 0.08 0.00 0.48 0.00 0.00 55.95 58.84 3mlr s SER 125 Cb -0.45 -2.52 0.81 0.00 0.10 0.00 0.00 66.02 63.96 3mlr s SER 125 CO 0.59 -1.06 1.97 0.77 0.98 0.00 0.00 173.24 176.49 3mlr h SER 126 N 0.39 0.33 -0.45 7.02 4.64 -1.99 -1.77 113.55 121.72 3mlr h SER 126 Ca -0.46 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.77 3mlr h SER 126 Cb 1.21 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3mlr h SER 126 CO 0.58 0.37 0.11 -0.33 -0.87 0.00 0.00 176.83 176.69 3mlr h GLU 127 N 0.36 0.73 -0.57 4.77 3.07 -1.98 -0.76 114.58 120.20 3mlr h GLU 127 Ca 0.08 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 3mlr h GLU 127 Cb 0.20 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3mlr h GLU 127 CO 0.00 0.72 -0.06 1.49 -1.40 0.00 0.00 179.01 179.77 3mlr h GLU 128 N 0.60 1.04 -0.53 2.33 4.81 -1.74 -2.39 114.58 118.70 3mlr h GLU 128 Ca 0.14 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3mlr h GLU 128 Cb 0.33 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3mlr h GLU 128 CO 0.00 1.05 0.18 -0.07 -0.73 0.00 0.00 179.01 179.44 3mlr h LEU 129 N 0.93 0.72 -0.13 1.64 3.38 -1.15 -0.05 115.31 120.65 3mlr h LEU 129 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mlr h LEU 129 Cb 0.62 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3mlr h LEU 129 CO 0.04 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.25 3mlr n GLN 130 N -4.31 0.05 -0.46 1.13 6.02 -0.31 -0.98 117.38 118.52 3mlr n GLN 130 Ca 0.04 0.23 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 3mlr n GLN 130 Cb 0.19 -1.59 0.33 0.00 1.02 0.00 0.00 30.24 30.19 3mlr n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mlr n ALA 131 N -1.57 2.65 -2.64 -1.58 0.00 -0.12 -4.94 120.51 112.31 3mlr n ALA 131 Ca 0.04 -1.43 -0.18 0.00 0.00 0.00 0.00 53.44 51.87 3mlr n ALA 131 Cb 0.23 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.76 3mlr n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mlr n ASN 132 N 1.39 -5.27 -4.22 0.00 4.13 -0.16 -5.01 115.26 106.13 3mlr n ASN 132 Ca 0.25 -0.14 -0.13 0.00 1.68 0.00 0.00 54.58 56.24 3mlr n ASN 132 Cb 0.73 -4.22 -0.10 0.00 -1.54 0.00 0.00 39.78 34.65 3mlr n ASN 132 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3mlr s LYS 133 N -5.22 1.11 -0.20 3.52 -0.14 -0.67 -4.62 119.74 113.52 3mlr s LYS 133 Ca 0.14 -1.55 -0.12 0.00 -1.36 0.00 0.00 55.97 53.08 3mlr s LYS 133 Cb -0.06 -0.09 0.06 0.00 -1.68 0.00 0.00 37.83 36.07 3mlr s LYS 133 CO 0.17 -0.21 0.49 0.00 -0.76 0.00 0.00 175.35 175.04 3mlr s ALA 134 N -3.82 -1.27 -0.03 5.17 0.00 -1.14 -2.76 121.76 117.92 3mlr s ALA 134 Ca 0.27 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3mlr s ALA 134 Cb 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.17 3mlr s ALA 134 CO 0.06 -0.29 0.02 0.99 0.00 0.00 0.00 175.76 176.53 3mlr s THR 135 N 1.37 0.07 -0.13 0.00 2.01 -1.26 -1.57 115.64 116.13 3mlr s THR 135 Ca -0.09 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 3mlr s THR 135 Cb -0.07 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 3mlr s THR 135 CO -0.13 0.13 0.20 -0.76 -0.69 0.00 0.00 174.62 173.37 3mlr s LEU 136 N 1.11 4.33 -0.18 4.42 1.43 -0.44 -3.57 118.68 125.77 3mlr s LEU 136 Ca -0.09 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3mlr s LEU 136 Cb -0.13 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.90 3mlr s LEU 136 CO -0.02 0.28 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 3mlr s VAL 137 N -0.40 2.07 -0.38 -1.59 1.01 -0.66 -2.04 120.40 118.41 3mlr s VAL 137 Ca 0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3mlr s VAL 137 Cb -0.13 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3mlr s VAL 137 CO 0.04 0.54 0.20 0.00 0.00 0.00 0.00 175.10 175.88 3mlr s LEU 139 N 1.50 4.09 -0.16 0.00 1.43 0.06 -1.10 118.68 124.51 3mlr s LEU 139 Ca 0.01 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3mlr s LEU 139 Cb -0.20 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 3mlr s LEU 139 CO 0.05 -0.02 -0.10 -0.63 0.23 0.00 0.00 176.35 175.89 3mlr s ILE 140 N 1.38 3.20 0.22 -0.59 1.01 0.40 -1.29 121.20 125.51 3mlr s ILE 140 Ca 0.11 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 3mlr s ILE 140 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 3mlr s ILE 140 CO 0.07 0.49 0.23 -0.94 0.00 0.00 0.00 174.94 174.79 3mlr s SER 141 N 0.71 0.14 -1.49 3.58 1.04 -0.41 0.18 113.70 117.45 3mlr s SER 141 Ca -0.05 -1.29 -0.11 0.00 0.48 0.00 0.00 55.95 54.98 3mlr s SER 141 Cb -0.15 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.48 3mlr s SER 141 CO 0.02 -0.93 0.95 0.47 0.98 0.00 0.00 173.24 174.74 3mlr n ASP 142 N -0.35 -4.33 -4.55 7.02 8.00 -0.42 -0.87 116.55 121.05 3mlr n ASP 142 Ca 0.01 -0.77 -0.25 0.00 0.71 0.00 0.00 54.79 54.50 3mlr n ASP 142 Cb 0.65 -3.99 -0.09 0.00 -0.02 0.00 0.00 41.12 37.67 3mlr n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mlr s PHE 143 N -3.36 2.53 -0.25 1.24 -0.71 -0.89 -4.48 117.98 112.06 3mlr s PHE 143 Ca 0.55 -0.27 -0.19 0.00 -1.04 0.00 0.00 56.93 55.99 3mlr s PHE 143 Cb -0.27 -1.16 0.07 0.00 -1.21 0.00 0.00 43.02 40.45 3mlr s PHE 143 CO 0.82 0.61 0.63 -0.47 -1.34 0.00 0.00 175.22 175.47 3mlr s TYR 144 N -2.15 -0.81 1.18 3.49 5.04 -0.52 -0.27 117.35 123.31 3mlr s TYR 144 Ca 0.28 1.81 -0.16 0.00 -2.44 0.00 0.00 57.07 56.57 3mlr s TYR 144 Cb -0.07 0.38 0.28 0.00 0.35 0.00 0.00 41.96 42.90 3mlr s TYR 144 CO 0.16 -0.40 1.04 -2.14 -1.34 0.00 0.00 175.55 172.87 3mlr s PRO 145 N 0.90 -1.02 -1.45 4.97 0.02 -1.26 -0.49 135.00 136.66 3mlr s PRO 145 Ca -0.04 0.43 -0.10 0.00 0.02 0.00 0.00 61.00 61.31 3mlr s PRO 145 Cb -0.05 -1.57 0.04 0.00 0.02 0.00 0.00 34.50 32.93 3mlr s PRO 145 CO -0.08 -3.69 2.44 0.41 -0.33 0.00 0.00 177.00 175.76 3mlr n GLY 146 N 0.05 4.62 3.43 0.52 0.00 -1.26 -4.85 105.19 107.70 3mlr n GLY 146 Ca 0.07 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3mlr n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlr s ALA 147 N 1.30 -1.37 0.18 4.61 0.00 -1.26 -4.65 121.76 120.57 3mlr s ALA 147 Ca 0.55 1.77 -0.13 0.00 0.00 0.00 0.00 51.96 54.14 3mlr s ALA 147 Cb 0.16 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.24 3mlr s ALA 147 CO -0.06 -0.29 0.41 0.14 0.00 0.00 0.00 175.76 175.95 3mlr s VAL 148 N 1.07 0.04 0.07 0.00 -7.23 -1.26 -4.58 120.40 108.51 3mlr s VAL 148 Ca -0.06 -1.09 0.07 0.00 -1.81 0.00 0.00 61.98 59.09 3mlr s VAL 148 Cb -0.06 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3mlr s VAL 148 CO -0.10 -0.20 -0.19 0.42 -0.31 0.00 0.00 175.10 174.71 3mlr s THR 149 N -3.92 1.57 -0.04 5.32 -4.23 -0.92 -4.99 115.64 108.43 3mlr s THR 149 Ca 0.13 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 3mlr s THR 149 Cb 0.01 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 3mlr s THR 149 CO -0.01 0.03 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.23 3mlr s VAL 150 N -1.00 1.48 -0.06 2.29 1.01 -1.26 -1.39 120.40 121.47 3mlr s VAL 150 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3mlr s VAL 150 Cb -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3mlr s VAL 150 CO 0.03 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 3mlr s ALA 151 N -0.11 1.59 0.10 5.51 0.00 -0.15 -4.99 121.76 123.72 3mlr s ALA 151 Ca -0.01 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.31 3mlr s ALA 151 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3mlr s ALA 151 CO 0.01 0.25 -0.01 -1.58 0.00 0.00 0.00 175.76 174.44 3mlr s TRP 152 N 0.20 2.97 -0.01 0.00 0.52 -1.26 -0.52 118.94 120.83 3mlr s TRP 152 Ca -0.08 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.02 3mlr s TRP 152 Cb -0.13 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 3mlr s TRP 152 CO 0.03 0.48 -0.05 0.15 0.02 0.00 0.00 176.95 177.58 3mlr s LYS 153 N -2.34 0.53 -0.35 4.98 1.02 -0.60 -1.62 119.74 121.37 3mlr s LYS 153 Ca 0.26 -0.18 -0.09 0.00 0.02 0.00 0.00 55.97 55.97 3mlr s LYS 153 Cb -0.12 -0.53 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 3mlr s LYS 153 CO 0.18 0.08 0.16 0.00 -0.92 0.00 0.00 175.35 174.85 3mlr s ALA 154 N 0.10 3.20 0.00 5.17 0.00 0.39 -1.27 121.76 129.34 3mlr s ALA 154 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.32 3mlr s ALA 154 Cb -0.05 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3mlr s ALA 154 CO -0.00 -1.23 0.00 -0.25 0.00 0.00 0.00 175.76 174.28 3mlr n ASP 155 N 4.94 0.00 -0.26 0.00 9.92 0.92 -1.50 116.55 130.57 3mlr n ASP 155 Ca -0.13 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.18 3mlr n ASP 155 Cb 0.47 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 3mlr n ASP 155 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3mlr n SER 156 N 10.24 1.35 -4.85 -2.24 7.64 -1.26 -4.75 113.62 119.74 3mlr n SER 156 Ca 0.00 -1.17 -0.35 0.00 1.01 0.00 0.00 58.87 58.36 3mlr n SER 156 Cb 0.00 0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 3mlr n SER 156 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mlr s SER 157 N -1.17 6.78 0.42 6.43 1.04 -0.56 -5.01 113.70 121.63 3mlr s SER 157 Ca 0.09 1.01 -0.25 0.00 0.48 0.00 0.00 55.95 57.28 3mlr s SER 157 Cb 0.08 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.85 3mlr s SER 157 CO 0.20 0.10 1.29 -2.84 0.98 0.00 0.00 173.24 172.98 3mlr s PRO 158 N -2.01 3.88 -0.07 4.02 0.02 -1.26 -0.47 135.00 139.12 3mlr s PRO 158 Ca 0.37 2.11 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 3mlr s PRO 158 Cb -0.15 -2.67 0.03 0.00 0.02 0.00 0.00 34.50 31.73 3mlr s PRO 158 CO 0.19 -0.55 -0.02 0.54 -0.33 0.00 0.00 177.00 176.83 3mlr s VAL 159 N -1.30 0.51 -0.03 3.83 0.11 -0.64 -4.77 120.40 118.11 3mlr s VAL 159 Ca 0.59 -0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.70 3mlr s VAL 159 Cb -0.37 -0.61 -0.10 0.00 -1.53 0.00 0.00 36.38 33.77 3mlr s VAL 159 CO 0.47 0.26 0.10 0.29 -3.33 0.00 0.00 175.10 172.89 3mlr n LYS 160 N 4.80 1.32 -2.24 1.54 4.76 -1.26 -4.17 118.16 122.92 3mlr n LYS 160 Ca -0.13 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 54.87 3mlr n LYS 160 Cb 0.50 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.50 3mlr n LYS 160 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mlr s ALA 161 N -2.36 3.41 -0.68 7.82 0.00 -1.26 -3.09 121.76 125.59 3mlr s ALA 161 Ca -0.03 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3mlr s ALA 161 Cb 0.04 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3mlr s ALA 161 CO 0.29 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3mlr n GLY 162 N 0.87 0.86 3.78 0.00 0.00 -1.26 -4.75 105.19 104.70 3mlr n GLY 162 Ca 0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3mlr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlr s VAL 163 N -2.16 5.11 -0.04 1.61 1.01 -1.18 -1.22 120.40 123.53 3mlr s VAL 163 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3mlr s VAL 163 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3mlr s VAL 163 CO 0.00 0.58 0.09 -0.70 0.00 0.00 0.00 175.10 175.07 3mlr s GLU 164 N -0.65 0.06 0.00 2.72 2.56 -0.54 -4.98 118.70 117.86 3mlr s GLU 164 Ca 0.12 0.24 0.02 0.00 0.00 0.00 0.00 54.97 55.35 3mlr s GLU 164 Cb -0.12 -0.12 -0.01 0.00 2.00 0.00 0.00 34.13 35.89 3mlr s GLU 164 CO 0.02 -0.11 -0.06 0.99 -0.56 0.00 0.00 175.26 175.54 3mlr s THR 165 N 0.75 0.48 0.40 -1.70 2.01 -1.26 0.25 115.64 116.56 3mlr s THR 165 Ca -0.06 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 3mlr s THR 165 Cb -0.08 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3mlr s THR 165 CO -0.03 0.08 0.68 0.42 -0.69 0.00 0.00 174.62 175.08 3mlr s THR 166 N -0.26 4.96 0.13 -0.82 -4.23 -0.24 -5.01 115.64 110.17 3mlr s THR 166 Ca 0.01 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.30 3mlr s THR 166 Cb -0.03 -3.81 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 3mlr s THR 166 CO -0.00 -0.61 1.01 -0.89 -0.54 0.00 0.00 174.62 173.58 3mlr s THR 167 N -2.44 4.29 0.15 3.99 2.01 -1.26 -4.52 115.64 117.87 3mlr s THR 167 Ca 0.45 1.93 -0.34 0.00 0.31 0.00 0.00 61.69 64.04 3mlr s THR 167 Cb -0.10 -4.23 -0.15 0.00 0.01 0.00 0.00 72.50 68.02 3mlr s THR 167 CO 0.37 0.31 1.32 -0.81 -0.69 0.00 0.00 174.62 175.12 3mlr n PRO 168 N 2.66 1.44 -4.55 4.92 -0.04 -1.26 -4.91 135.00 133.26 3mlr n PRO 168 Ca 0.02 0.52 -0.31 0.00 -0.04 0.00 0.00 63.50 63.69 3mlr n PRO 168 Cb 0.48 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.70 3mlr n PRO 168 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3mlr s SER 169 N 0.34 4.14 0.27 3.54 1.04 -0.10 -4.90 113.70 118.03 3mlr s SER 169 Ca 0.77 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.58 3mlr s SER 169 Cb -0.83 -0.80 -0.09 0.00 0.10 0.00 0.00 66.02 64.40 3mlr s SER 169 CO 0.48 0.26 1.17 -0.75 0.98 0.00 0.00 173.24 175.37 3mlr s LYS 170 N -1.51 4.54 0.65 4.02 2.20 -1.26 -1.10 119.74 127.29 3mlr s LYS 170 Ca 0.16 1.91 -0.02 0.00 -0.36 0.00 0.00 55.97 57.67 3mlr s LYS 170 Cb -0.11 -3.18 0.08 0.00 -1.51 0.00 0.00 37.83 33.11 3mlr s LYS 170 CO 0.07 0.05 0.92 -0.65 -0.36 0.00 0.00 175.35 175.38 3mlr s GLN 171 N -1.21 2.12 0.53 4.03 -0.21 0.14 -4.89 119.66 120.18 3mlr s GLN 171 Ca 0.47 -0.77 0.19 0.00 0.02 0.00 0.00 55.36 55.28 3mlr s GLN 171 Cb -0.34 -2.35 1.37 0.00 1.00 0.00 0.00 33.01 32.70 3mlr s GLN 171 CO 0.42 -1.12 2.16 0.77 -2.12 0.00 0.00 175.29 175.40 3mlr h SER 172 N -0.33 0.00 -0.33 5.90 0.02 -1.96 -1.58 113.55 115.27 3mlr h SER 172 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3mlr h SER 172 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3mlr h SER 172 CO 0.49 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.72 3mlr n ASN 173 N -4.41 2.39 0.00 3.07 2.04 -1.26 -4.91 115.26 112.18 3mlr n ASN 173 Ca -0.02 -2.16 0.00 0.00 -0.44 0.00 0.00 54.58 51.96 3mlr n ASN 173 Cb 0.12 -0.36 0.00 0.00 -2.53 0.00 0.00 39.78 37.01 3mlr n ASN 173 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3mlr n ASN 174 N 0.46 0.00 -4.34 0.53 5.03 -0.59 -5.01 115.26 111.33 3mlr n ASN 174 Ca 0.12 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.33 3mlr n ASN 174 Cb 0.44 -0.24 0.14 0.00 -1.02 0.00 0.00 39.78 39.10 3mlr n ASN 174 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3mlr n LYS 175 N -2.00 -0.38 -4.18 3.52 5.02 -1.26 -4.74 118.16 114.14 3mlr n LYS 175 Ca 0.00 -2.50 -0.23 0.00 -2.02 0.00 0.00 58.31 53.56 3mlr n LYS 175 Cb 0.00 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3mlr n LYS 175 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mlr s TYR 176 N -3.21 2.83 0.05 2.13 1.51 0.63 0.25 117.35 121.54 3mlr s TYR 176 Ca 0.67 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 56.50 3mlr s TYR 176 Cb -0.03 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 3mlr s TYR 176 CO 0.45 0.52 -0.04 0.00 -1.11 0.00 0.00 175.55 175.37 3mlr s ALA 177 N -2.29 0.50 0.15 3.71 0.00 -0.26 -1.30 121.76 122.28 3mlr s ALA 177 Ca 0.33 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 3mlr s ALA 177 Cb -0.06 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3mlr s ALA 177 CO 0.22 -0.28 0.43 0.00 0.00 0.00 0.00 175.76 176.13 3mlr s ALA 178 N -3.18 -0.80 0.03 0.00 0.00 0.13 -0.92 121.76 117.02 3mlr s ALA 178 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3mlr s ALA 178 Cb 0.03 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3mlr s ALA 178 CO -0.07 -0.70 -0.07 -1.54 0.00 0.00 0.00 175.76 173.38 3mlr s SER 179 N -2.85 0.79 0.01 0.00 1.04 -1.26 -0.45 113.70 110.97 3mlr s SER 179 Ca 0.07 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.02 3mlr s SER 179 Cb 0.01 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 3mlr s SER 179 CO -0.07 -0.17 -0.03 -0.55 0.98 0.00 0.00 173.24 173.40 3mlr s SER 180 N -1.37 0.27 0.03 7.02 0.15 -0.26 -1.08 113.70 118.46 3mlr s SER 180 Ca -0.09 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.45 3mlr s SER 180 Cb -0.09 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3mlr s SER 180 CO 0.00 -0.06 -0.19 -0.31 1.20 0.00 0.00 173.24 173.88 3mlr s TYR 181 N -0.45 1.65 -0.17 3.44 1.51 0.14 -0.62 117.35 122.85 3mlr s TYR 181 Ca -0.04 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 3mlr s TYR 181 Cb -0.03 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3mlr s TYR 181 CO -0.00 0.05 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.24 3mlr s LEU 182 N -0.99 1.85 -0.14 -1.29 2.96 -0.86 -1.47 118.68 118.74 3mlr s LEU 182 Ca 0.06 -0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 53.07 3mlr s LEU 182 Cb -0.08 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 3mlr s LEU 182 CO 0.01 -0.16 0.47 -0.44 -1.32 0.00 0.00 176.35 174.91 3mlr s SER 183 N 1.54 6.63 0.19 3.68 0.01 -0.36 -1.33 113.70 124.07 3mlr s SER 183 Ca 0.00 0.75 -0.00 0.00 1.31 0.00 0.00 55.95 58.02 3mlr s SER 183 Cb -0.15 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3mlr s SER 183 CO -0.08 -0.03 0.09 -0.76 0.41 0.00 0.00 173.24 172.87 3mlr s LEU 184 N 0.81 1.55 0.30 2.44 1.43 -0.61 -4.73 118.68 119.88 3mlr s LEU 184 Ca 0.25 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.03 3mlr s LEU 184 Cb -0.15 0.22 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 3mlr s LEU 184 CO 0.10 -0.75 0.51 0.42 0.23 0.00 0.00 176.35 176.86 3mlr s THR 185 N -3.97 5.11 0.41 5.49 -4.23 -1.26 -2.87 115.64 114.33 3mlr s THR 185 Ca 0.33 -0.36 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 3mlr s THR 185 Cb 0.07 -3.81 0.29 0.00 1.34 0.00 0.00 72.50 70.39 3mlr s THR 185 CO 0.09 -0.43 2.01 -0.65 -0.54 0.00 0.00 174.62 175.10 3mlr h PRO 186 N 1.19 0.50 -0.56 3.99 0.11 -1.83 -1.69 132.00 133.71 3mlr h PRO 186 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3mlr h PRO 186 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3mlr h PRO 186 CO 0.64 0.33 0.30 0.93 -0.21 0.00 0.00 178.00 179.98 3mlr h GLU 187 N 0.52 0.79 -0.21 1.05 3.07 -1.97 -1.00 114.58 116.83 3mlr h GLU 187 Ca 0.22 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 3mlr h GLU 187 Cb 0.23 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3mlr h GLU 187 CO -0.06 0.62 0.04 1.96 -1.40 0.00 0.00 179.01 180.17 3mlr h GLN 188 N 0.76 0.35 -0.65 2.33 4.20 -1.76 -0.69 115.11 119.65 3mlr h GLN 188 Ca 0.20 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 58.90 3mlr h GLN 188 Cb 0.07 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 3mlr h GLN 188 CO -0.03 0.50 0.30 2.35 -0.67 0.00 0.00 178.83 181.28 3mlr h TRP 189 N 0.15 0.54 -0.06 2.96 -0.00 -1.12 -2.61 115.95 115.82 3mlr h TRP 189 Ca 0.07 0.03 -0.18 0.00 -0.00 0.00 0.00 58.89 58.80 3mlr h TRP 189 Cb 0.31 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 3mlr h TRP 189 CO 0.02 0.20 -0.73 -0.22 -0.00 0.00 0.00 178.44 177.71 3mlr h LYS 190 N 0.54 0.34 0.00 2.65 3.64 -1.06 -3.32 116.57 119.36 3mlr h LYS 190 Ca 0.31 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3mlr h LYS 190 Cb 0.32 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3mlr h LYS 190 CO -0.26 0.93 0.00 0.77 -2.27 0.00 0.00 179.45 178.63 3mlr h SER 191 N 0.23 0.00 -2.66 4.20 0.02 -0.76 -3.45 113.55 111.14 3mlr h SER 191 Ca -0.03 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 3mlr h SER 191 Cb 1.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 3mlr h SER 191 CO 0.12 0.00 -0.37 -1.00 -1.14 0.00 0.00 176.83 174.44 3mlr s HIS 192 N -3.17 3.48 0.10 3.45 3.76 -1.05 -5.00 115.29 116.87 3mlr s HIS 192 Ca 0.09 0.22 0.13 0.00 -0.15 0.00 0.00 55.06 55.35 3mlr s HIS 192 Cb 0.10 -1.76 0.23 0.00 1.11 0.00 0.00 32.58 32.26 3mlr s HIS 192 CO 0.59 0.41 1.52 0.87 -0.85 0.00 0.00 174.74 177.27 3mlr h LYS 193 N 1.81 0.00 -1.98 1.40 1.57 -1.89 -3.44 116.57 114.04 3mlr h LYS 193 Ca -0.49 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.51 3mlr h LYS 193 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 3mlr h LYS 193 CO 0.67 0.63 0.62 -1.54 -0.57 0.00 0.00 179.45 179.25 3mlr s SER 194 N -6.61 -0.16 0.02 0.86 1.04 -1.26 -4.59 113.70 103.00 3mlr s SER 194 Ca 0.01 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.23 3mlr s SER 194 Cb 0.10 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3mlr s SER 194 CO 0.75 -0.62 -0.08 -0.31 0.98 0.00 0.00 173.24 173.97 3mlr s TYR 195 N -2.92 0.67 0.07 5.02 1.51 -0.54 -0.05 117.35 121.10 3mlr s TYR 195 Ca 0.12 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 3mlr s TYR 195 Cb 0.01 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.42 3mlr s TYR 195 CO -0.02 -0.04 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.16 3mlr s SER 196 N -0.96 1.27 -0.22 2.29 0.01 -0.40 -1.24 113.70 114.45 3mlr s SER 196 Ca -0.04 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.58 3mlr s SER 196 Cb -0.07 0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.22 3mlr s SER 196 CO 0.00 -0.20 -0.13 0.00 0.41 0.00 0.00 173.24 173.33 3mlr s GLN 198 N 1.24 3.18 -0.14 0.00 0.74 0.32 -1.88 119.66 123.12 3mlr s GLN 198 Ca -0.03 -0.76 -0.06 0.00 0.05 0.00 0.00 55.36 54.56 3mlr s GLN 198 Cb -0.17 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 3mlr s GLN 198 CO -0.08 -0.30 0.07 0.08 -0.55 0.00 0.00 175.29 174.51 3mlr s VAL 199 N 1.44 4.89 -0.20 1.34 1.01 0.14 -0.97 120.40 128.05 3mlr s VAL 199 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3mlr s VAL 199 Cb -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3mlr s VAL 199 CO -0.03 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.63 3mlr s THR 200 N -0.43 2.91 -0.14 3.92 2.01 -0.48 -0.59 115.64 122.84 3mlr s THR 200 Ca 0.10 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 3mlr s THR 200 Cb -0.12 -2.29 0.03 0.00 0.01 0.00 0.00 72.50 70.13 3mlr s THR 200 CO 0.02 0.47 -0.09 -2.28 -0.69 0.00 0.00 174.62 172.05 3mlr s HIS 201 N 1.30 1.76 -1.41 4.92 5.65 0.31 -2.17 115.29 125.66 3mlr s HIS 201 Ca 0.04 -0.97 -0.05 0.00 0.25 0.00 0.00 55.06 54.32 3mlr s HIS 201 Cb -0.14 -1.37 0.03 0.00 -1.18 0.00 0.00 32.58 29.92 3mlr s HIS 201 CO -0.05 -0.59 0.76 0.39 -0.65 0.00 0.00 174.74 174.60 3mlr n GLU 202 N 4.87 -4.84 -0.02 2.88 -0.58 -1.26 -1.58 120.64 120.12 3mlr n GLU 202 Ca -0.14 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3mlr n GLU 202 Cb 0.50 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.18 3mlr n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mlr n GLY 203 N -1.67 2.23 3.72 0.62 0.00 -1.26 -4.99 105.19 103.85 3mlr n GLY 203 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3mlr n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mlr s SER 204 N -3.49 5.60 0.04 1.61 0.01 -0.62 -5.07 113.70 111.78 3mlr s SER 204 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 3mlr s SER 204 Cb 0.00 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 3mlr s SER 204 CO 0.00 0.35 0.15 0.42 0.41 0.00 0.00 173.24 174.57 3mlr s THR 205 N -0.67 5.09 -0.04 1.44 -4.23 -1.26 -0.53 115.64 115.43 3mlr s THR 205 Ca 0.11 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3mlr s THR 205 Cb -0.12 -3.43 0.03 0.00 1.34 0.00 0.00 72.50 70.33 3mlr s THR 205 CO 0.02 0.21 0.02 -0.69 -0.54 0.00 0.00 174.62 173.65 3mlr s VAL 206 N -1.39 0.11 0.10 2.29 1.01 0.25 -4.98 120.40 117.79 3mlr s VAL 206 Ca 0.30 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3mlr s VAL 206 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3mlr s VAL 206 CO 0.22 0.18 -0.12 -1.83 0.00 0.00 0.00 175.10 173.56 3mlr s GLU 207 N 1.69 0.90 0.05 2.72 -1.05 -1.26 -0.69 118.70 121.06 3mlr s GLU 207 Ca -0.01 -1.17 0.04 0.00 -0.15 0.00 0.00 54.97 53.69 3mlr s GLU 207 Cb -0.13 -0.67 -0.02 0.00 -0.44 0.00 0.00 34.13 32.87 3mlr s GLU 207 CO -0.03 0.12 -0.12 0.15 0.95 0.00 0.00 175.26 176.33 3mlr s LYS 208 N -2.67 0.73 0.03 -4.83 -0.14 -0.79 -5.00 119.74 107.07 3mlr s LYS 208 Ca 0.06 -0.78 0.05 0.00 -1.36 0.00 0.00 55.97 53.94 3mlr s LYS 208 Cb -0.04 -0.67 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 3mlr s LYS 208 CO 0.01 0.15 -0.15 0.99 -0.76 0.00 0.00 175.35 175.59 3mlr s THR 209 N -1.09 1.21 0.09 2.17 2.01 -1.26 -1.36 115.64 117.41 3mlr s THR 209 Ca -0.03 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3mlr s THR 209 Cb -0.09 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3mlr s THR 209 CO 0.01 0.11 -0.07 0.68 -0.69 0.00 0.00 174.62 174.67 3mlr s VAL 210 N -0.72 0.68 0.06 3.82 -7.23 -0.38 -4.99 120.40 111.64 3mlr s VAL 210 Ca 0.03 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.32 3mlr s VAL 210 Cb -0.07 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 3mlr s VAL 210 CO 0.01 -0.80 0.15 0.00 -0.31 0.00 0.00 175.10 174.14 3mlr s ALA 211 N -3.30 -0.15 0.23 1.32 0.00 -1.26 -1.47 121.76 117.14 3mlr s ALA 211 Ca 0.09 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 3mlr s ALA 211 Cb 0.03 0.36 -0.14 0.00 0.00 0.00 0.00 23.12 23.37 3mlr s ALA 211 CO -0.04 -0.41 1.33 -2.30 0.00 0.00 0.00 175.76 174.34 3mlr n PRO 212 N 0.33 1.83 0.00 0.00 -0.02 -1.26 -5.06 135.00 130.82 3mlr n PRO 212 Ca -0.17 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 3mlr n PRO 212 Cb 0.60 -2.26 0.34 0.00 -0.02 0.00 0.00 33.50 32.16 3mlr n PRO 212 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89