#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lmn s ALA 6 N 0.00 2.97 0.83 4.61 0.00 -1.26 -4.97 121.76 123.94 3lmn s ALA 6 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 3lmn s ALA 6 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 3lmn s ALA 6 CO 0.00 -0.47 1.16 0.00 0.00 0.00 0.00 175.76 176.44 3lmn s ALA 7 N -1.66 1.81 0.92 0.00 0.00 -1.26 -4.98 121.76 116.59 3lmn s ALA 7 Ca 0.63 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 3lmn s ALA 7 Cb -0.24 -3.43 0.14 0.00 0.00 0.00 0.00 23.12 19.59 3lmn s ALA 7 CO 0.30 -2.32 1.10 -0.40 0.00 0.00 0.00 175.76 174.43 3lmn n ASP 8 N -3.64 0.17 0.02 0.00 5.68 -1.26 -4.72 116.55 112.80 3lmn n ASP 8 Ca 0.12 0.42 -0.03 0.00 -0.50 0.00 0.00 54.79 54.79 3lmn n ASP 8 Cb 0.52 -1.46 0.20 0.00 -1.14 0.00 0.00 41.12 39.24 3lmn n ASP 8 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3lmn h LEU 9 N -1.87 0.48 -0.40 -2.12 3.38 -1.95 -0.96 115.31 111.87 3lmn h LEU 9 Ca -0.43 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 3lmn h LEU 9 Cb 1.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3lmn h LEU 9 CO 0.41 0.73 0.10 -0.78 0.09 0.00 0.00 178.44 178.99 3lmn h ASP 10 N 0.42 0.60 -0.57 -0.43 3.58 -1.91 -0.31 116.42 117.80 3lmn h ASP 10 Ca 0.06 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 3lmn h ASP 10 Cb 0.67 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3lmn h ASP 10 CO 0.05 0.67 0.33 0.74 -2.88 0.00 0.00 179.24 178.15 3lmn h THR 11 N 0.50 1.18 0.02 2.25 2.02 -1.83 -1.13 112.91 115.93 3lmn h THR 11 Ca 0.13 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.88 3lmn h THR 11 Cb 0.30 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3lmn h THR 11 CO 0.00 0.19 -0.08 1.56 0.37 0.00 0.00 175.52 177.56 3lmn h GLN 12 N 0.77 -0.15 -0.20 6.66 4.20 -0.93 0.14 115.11 125.59 3lmn h GLN 12 Ca 0.20 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.94 3lmn h GLN 12 Cb 0.02 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3lmn h GLN 12 CO -0.03 -0.10 0.06 -0.09 -0.67 0.00 0.00 178.83 177.99 3lmn h ARG 13 N -0.16 0.14 -0.21 1.46 2.43 -0.91 -1.97 114.38 115.16 3lmn h ARG 13 Ca 0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3lmn h ARG 13 Cb 0.19 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3lmn h ARG 13 CO -0.07 0.10 -0.19 1.03 -1.51 0.00 0.00 179.97 179.33 3lmn h SER 14 N 0.15 0.53 -0.37 -3.80 0.87 -1.05 0.06 113.55 109.95 3lmn h SER 14 Ca 0.09 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3lmn h SER 14 Cb 0.06 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3lmn h SER 14 CO -0.10 0.89 0.24 0.44 -0.53 0.00 0.00 176.83 177.78 3lmn h ASP 15 N 0.19 0.43 -0.25 6.23 3.32 -0.66 -2.25 116.42 123.41 3lmn h ASP 15 Ca 0.04 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 3lmn h ASP 15 Cb 0.73 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3lmn h ASP 15 CO 0.05 0.31 -0.51 0.40 -1.72 0.00 0.00 179.24 177.77 3lmn h ILE 16 N 0.50 1.29 -0.81 0.35 1.08 -1.31 -1.59 117.51 117.02 3lmn h ILE 16 Ca 0.14 -1.71 0.10 0.00 -0.39 0.00 0.00 64.86 62.99 3lmn h ILE 16 Cb -0.06 1.72 -0.07 0.00 -3.07 0.00 0.00 36.82 35.34 3lmn h ILE 16 CO -0.03 0.55 0.46 0.00 -0.69 0.00 0.00 178.15 178.44 3lmn h ALA 17 N 0.65 1.16 -0.14 1.87 0.00 -0.87 0.51 119.26 122.44 3lmn h ALA 17 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3lmn h ALA 17 Cb 1.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3lmn h ALA 17 CO 0.11 0.08 0.03 1.15 0.00 0.00 0.00 179.25 180.63 3lmn h THR 18 N 0.77 1.20 -0.07 0.00 2.02 -1.27 -3.17 112.91 112.39 3lmn h THR 18 Ca 0.39 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3lmn h THR 18 Cb 0.37 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3lmn h THR 18 CO -0.25 0.19 -0.30 -0.07 0.37 0.00 0.00 175.52 175.46 3lmn h LEU 19 N 0.02 0.13 -2.66 2.58 3.38 -0.62 -0.76 115.31 117.38 3lmn h LEU 19 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lmn h LEU 19 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3lmn h LEU 19 CO 0.00 0.43 0.03 -0.07 0.09 0.00 0.00 178.44 178.92 3lmn h LEU 20 N 0.11 0.00 -1.52 1.67 3.38 -0.89 -2.23 115.31 115.84 3lmn h LEU 20 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3lmn h LEU 20 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3lmn h LEU 20 CO 0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.86 3lmn n LYS 21 N -2.92 2.04 -1.70 1.13 5.02 -0.29 -4.96 118.16 116.47 3lmn n LYS 21 Ca -0.03 -1.51 -0.43 0.00 -2.02 0.00 0.00 58.31 54.32 3lmn n LYS 21 Cb 0.09 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 3lmn n LYS 21 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3lmn n THR 22 N 0.82 1.03 -2.40 -0.18 -1.04 -0.84 -4.97 114.28 106.71 3lmn n THR 22 Ca 0.16 -0.26 -0.38 0.00 -2.04 0.00 0.00 64.05 61.54 3lmn n THR 22 Cb 0.49 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 3lmn n THR 22 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3lmn s SER 23 N 0.35 6.72 0.18 8.00 0.01 -1.26 -5.02 113.70 122.69 3lmn s SER 23 Ca 0.66 2.24 -0.31 0.00 1.31 0.00 0.00 55.95 59.86 3lmn s SER 23 Cb -0.58 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 62.95 3lmn s SER 23 CO 0.50 -0.53 1.45 -0.76 0.41 0.00 0.00 173.24 174.31 3lmn s LEU 24 N -2.35 4.38 -0.03 2.44 1.43 -1.26 -5.02 118.68 118.27 3lmn s LEU 24 Ca 0.55 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 56.20 3lmn s LEU 24 Cb -0.28 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.34 3lmn s LEU 24 CO 0.36 -0.70 -0.07 -0.13 0.23 0.00 0.00 176.35 176.03 3lmn s ARG 25 N 0.46 0.84 0.18 1.70 1.81 -1.26 -5.12 118.95 117.56 3lmn s ARG 25 Ca 0.63 -0.23 -0.33 0.00 -1.72 0.00 0.00 55.73 54.08 3lmn s ARG 25 Cb -0.40 -0.80 -0.14 0.00 -0.45 0.00 0.00 34.95 33.15 3lmn s ARG 25 CO 0.36 0.06 1.44 1.17 -0.68 0.00 0.00 175.30 177.65 3lmn n LYS 26 N 3.43 1.86 0.00 3.54 4.81 -1.26 -1.93 118.16 128.61 3lmn n LYS 26 Ca -0.19 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3lmn n LYS 26 Cb 0.54 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3lmn n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lmn n GLY 27 N 2.69 2.45 3.76 3.14 0.00 0.38 -4.98 105.19 112.65 3lmn n GLY 27 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3lmn n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lmn s ASP 28 N -1.78 4.98 -0.19 1.61 1.01 -0.81 -4.72 116.67 116.78 3lmn s ASP 28 Ca 0.00 2.05 -0.08 0.00 0.71 0.00 0.00 52.55 55.23 3lmn s ASP 28 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3lmn s ASP 28 CO 0.00 -1.72 0.08 -0.89 0.21 0.00 0.00 175.17 172.85 3lmn s THR 29 N -2.28 4.91 0.27 -1.27 2.01 -1.26 -1.18 115.64 116.84 3lmn s THR 29 Ca 0.68 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.77 3lmn s THR 29 Cb -0.22 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 3lmn s THR 29 CO 0.42 0.46 -0.10 0.26 -0.69 0.00 0.00 174.62 174.96 3lmn s TRP 30 N 0.37 2.00 -0.03 4.92 0.52 0.33 -3.09 118.94 123.95 3lmn s TRP 30 Ca 0.04 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.61 3lmn s TRP 30 Cb -0.12 -1.06 -0.01 0.00 -1.15 0.00 0.00 33.47 31.13 3lmn s TRP 30 CO -0.00 0.39 -0.17 0.71 0.02 0.00 0.00 176.95 177.90 3lmn s TYR 31 N -2.89 1.63 0.10 -1.98 2.02 0.11 -0.62 117.35 115.72 3lmn s TYR 31 Ca 0.28 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 3lmn s TYR 31 Cb 0.01 -1.09 -0.06 0.00 -0.40 0.00 0.00 41.96 40.43 3lmn s TYR 31 CO 0.12 -0.13 0.95 -0.51 -1.57 0.00 0.00 175.55 174.41 3lmn s LEU 32 N -0.06 4.49 -0.09 -1.29 1.02 -0.81 -1.49 118.68 120.44 3lmn s LEU 32 Ca -0.01 1.76 0.02 0.00 0.02 0.00 0.00 54.13 55.92 3lmn s LEU 32 Cb -0.10 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.56 3lmn s LEU 32 CO 0.01 -0.08 -0.13 -0.69 0.02 0.00 0.00 176.35 175.49 3lmn s VAL 33 N 0.08 1.27 0.11 -1.59 1.01 0.14 -4.67 120.40 116.75 3lmn s VAL 33 Ca 0.47 -0.52 -0.34 0.00 0.00 0.00 0.00 61.98 61.59 3lmn s VAL 33 Cb -0.23 -1.17 -0.14 0.00 0.00 0.00 0.00 36.38 34.84 3lmn s VAL 33 CO 0.29 0.39 1.63 -0.67 0.00 0.00 0.00 175.10 176.74 3lmn n ASP 34 N 4.14 3.11 -0.29 3.32 2.03 -1.26 -0.18 116.55 127.42 3lmn n ASP 34 Ca -0.20 1.06 0.04 0.00 0.52 0.00 0.00 54.79 56.22 3lmn n ASP 34 Cb 0.51 -1.41 0.18 0.00 -0.72 0.00 0.00 41.12 39.69 3lmn n ASP 34 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 3lmn h SER 35 N 6.50 0.60 -0.25 1.67 0.87 -1.53 -1.75 113.55 119.65 3lmn h SER 35 Ca -0.46 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 3lmn h SER 35 Cb 1.26 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3lmn h SER 35 CO 0.90 0.31 0.07 -0.09 -0.53 0.00 0.00 176.83 177.49 3lmn h ARG 36 N 0.71 0.40 -0.55 2.24 9.65 -1.89 -0.54 114.38 124.39 3lmn h ARG 36 Ca 0.41 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 59.18 3lmn h ARG 36 Cb 0.46 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 3lmn h ARG 36 CO -0.29 0.48 0.27 2.35 2.80 0.00 0.00 179.97 185.58 3lmn h TRP 37 N 0.24 0.80 -0.72 2.20 7.01 -1.72 -2.45 115.95 121.30 3lmn h TRP 37 Ca 0.08 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 3lmn h TRP 37 Cb 0.26 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3lmn h TRP 37 CO 0.01 0.61 0.29 0.35 -2.79 0.00 0.00 178.44 176.91 3lmn h PHE 38 N 0.75 1.09 -0.30 2.65 3.57 -1.12 -0.95 116.94 122.63 3lmn h PHE 38 Ca 0.19 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3lmn h PHE 38 Cb 0.11 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3lmn h PHE 38 CO -0.00 0.84 -0.04 0.87 -2.23 0.00 0.00 178.31 177.74 3lmn h LYS 39 N 1.03 0.47 -0.41 1.11 1.57 -0.99 -0.07 116.57 119.29 3lmn h LYS 39 Ca 0.24 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3lmn h LYS 39 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3lmn h LYS 39 CO -0.02 0.54 -0.01 0.37 -0.57 0.00 0.00 179.45 179.76 3lmn h GLN 40 N 0.45 0.73 -0.84 3.15 5.75 -0.91 -1.98 115.11 121.47 3lmn h GLN 40 Ca 0.09 -0.24 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3lmn h GLN 40 Cb 0.36 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 3lmn h GLN 40 CO 0.02 0.82 0.53 2.35 -2.65 0.00 0.00 178.83 179.89 3lmn h TRP 41 N 0.56 0.99 -0.38 3.99 7.01 -0.83 -2.35 115.95 124.95 3lmn h TRP 41 Ca 0.12 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3lmn h TRP 41 Cb 0.49 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3lmn h TRP 41 CO 0.04 0.56 0.19 0.87 -2.79 0.00 0.00 178.44 177.31 3lmn h LYS 42 N 1.02 0.39 -0.74 2.65 1.57 -0.64 -1.05 116.57 119.77 3lmn h LYS 42 Ca 0.34 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 3lmn h LYS 42 Cb 0.05 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 3lmn h LYS 42 CO -0.13 0.26 0.47 0.87 -0.57 0.00 0.00 179.45 180.34 3lmn h LYS 43 N 0.40 0.88 -0.45 3.15 1.57 -1.15 0.46 116.57 121.44 3lmn h LYS 43 Ca 0.16 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3lmn h LYS 43 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3lmn h LYS 43 CO -0.10 0.59 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.40 3lmn h TYR 44 N 0.91 0.81 -0.02 -1.35 3.20 -0.88 -2.97 116.97 116.67 3lmn h TYR 44 Ca 0.30 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3lmn h TYR 44 Cb 0.02 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3lmn h TYR 44 CO -0.04 0.78 -0.08 1.33 -1.64 0.00 0.00 178.16 178.51 3lmn n VAL 45 N -4.20 0.00 -3.18 1.81 0.24 -0.45 -0.48 118.33 112.07 3lmn n VAL 45 Ca 0.02 -0.34 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 3lmn n VAL 45 Cb 0.32 0.99 0.06 0.00 -1.47 0.00 0.00 33.84 33.74 3lmn n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lmn n GLY 46 N 1.29 -0.07 0.23 7.63 0.00 -0.02 -4.79 105.19 109.46 3lmn n GLY 46 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 3lmn n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3lmn h PHE 47 N -1.71 0.61 -3.04 1.61 3.57 -1.35 -3.42 116.94 113.21 3lmn h PHE 47 Ca -0.39 0.02 -0.64 0.00 3.53 0.00 0.00 57.97 60.50 3lmn h PHE 47 Cb 1.25 -0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 3lmn h PHE 47 CO 0.33 0.32 -0.51 -0.51 -2.23 0.00 0.00 178.31 175.71 3lmn s ASP 48 N -5.59 6.08 0.53 0.41 1.01 -1.26 -4.99 116.67 112.86 3lmn s ASP 48 Ca -0.13 0.28 0.18 0.00 0.71 0.00 0.00 52.55 53.59 3lmn s ASP 48 Cb 0.14 -2.00 1.34 0.00 1.01 0.00 0.00 42.92 43.41 3lmn s ASP 48 CO 0.75 0.28 2.16 0.77 0.21 0.00 0.00 175.17 179.34 3lmn h SER 49 N 5.91 0.00 0.08 0.27 4.64 -2.01 -0.57 113.55 121.87 3lmn h SER 49 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3lmn h SER 49 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3lmn h SER 49 CO 0.66 0.00 -0.07 -2.67 -0.87 0.00 0.00 176.83 173.88 3lmn n TRP 50 N -4.45 0.00 -3.03 4.77 4.27 -1.26 -4.15 117.44 113.58 3lmn n TRP 50 Ca -0.03 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.43 3lmn n TRP 50 Cb 0.09 -0.05 0.01 0.00 -1.36 0.00 0.00 31.31 30.00 3lmn n TRP 50 CO 0.00 0.00 0.00 -3.47 -2.29 0.00 0.00 177.69 171.93 3lmn n ASP 51 N -0.23 0.04 -0.20 -0.67 4.64 -0.26 -4.91 116.55 114.96 3lmn n ASP 51 Ca 0.17 -3.14 0.02 0.00 -1.38 0.00 0.00 54.79 50.46 3lmn n ASP 51 Cb 0.33 0.04 0.05 0.00 -1.04 0.00 0.00 41.12 40.49 3lmn n ASP 51 CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 3lmn n LYS 52 N 0.25 2.50 0.01 -0.67 2.85 -0.99 -4.49 118.16 117.63 3lmn n LYS 52 Ca 0.19 -1.56 0.08 0.00 -1.05 0.00 0.00 58.31 55.97 3lmn n LYS 52 Cb 0.68 -1.09 0.35 0.00 -0.65 0.00 0.00 35.03 34.33 3lmn n LYS 52 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 3lmn n TYR 53 N -0.11 0.07 -0.68 5.58 0.18 -1.26 -1.90 117.16 119.02 3lmn n TYR 53 Ca 0.04 0.02 0.07 0.00 1.88 0.00 0.00 57.90 59.91 3lmn n TYR 53 Cb 0.28 -0.54 0.19 0.00 -0.38 0.00 0.00 39.34 38.89 3lmn n TYR 53 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3lmn n GLN 54 N -1.56 2.73 -1.66 -3.48 6.02 -1.26 -4.99 117.38 113.17 3lmn n GLN 54 Ca 0.04 -2.47 -0.47 0.00 -0.01 0.00 0.00 57.00 54.08 3lmn n GLN 54 Cb 0.19 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 29.84 3lmn n GLN 54 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3lmn n MET 55 N -0.31 2.00 -0.96 -1.09 1.56 -0.80 -1.17 117.12 116.34 3lmn n MET 55 Ca 0.16 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.31 3lmn n MET 55 Cb 0.68 -2.48 0.00 0.00 2.15 0.00 0.00 33.22 33.56 3lmn n MET 55 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3lmn n GLY 56 N 3.42 0.97 3.65 -5.12 0.00 0.37 -4.98 105.19 103.50 3lmn n GLY 56 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3lmn n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lmn s ASP 57 N -2.97 7.00 0.62 1.61 2.15 -0.32 -4.90 116.67 119.86 3lmn s ASP 57 Ca 0.00 1.19 0.39 0.00 0.43 0.00 0.00 52.55 54.56 3lmn s ASP 57 Cb 0.00 -2.54 2.05 0.00 -0.30 0.00 0.00 42.92 42.13 3lmn s ASP 57 CO 0.00 -0.77 2.25 1.56 -0.17 0.00 0.00 175.17 178.04 3lmn h GLN 58 N 7.78 0.00 0.00 4.34 1.08 -1.94 -0.78 115.11 125.60 3lmn h GLN 58 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3lmn h GLN 58 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3lmn h GLN 58 CO 1.00 0.02 0.00 -0.91 -0.95 0.00 0.00 178.83 177.99 3lmn h ASN 59 N 0.00 0.00 -0.11 1.46 2.35 -1.95 -2.48 115.58 114.86 3lmn h ASN 59 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3lmn h ASN 59 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3lmn h ASN 59 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 3lmn n VAL 60 N -2.40 1.27 -1.68 2.81 0.24 -0.31 -5.04 118.33 113.23 3lmn n VAL 60 Ca 0.01 -1.30 -0.45 0.00 -2.04 0.00 0.00 64.34 60.55 3lmn n VAL 60 Cb 0.18 0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 3lmn n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3lmn n TYR 61 N -0.42 2.32 0.61 6.34 9.36 -0.94 -4.46 117.16 129.97 3lmn n TYR 61 Ca 0.07 0.28 0.13 0.00 3.32 0.00 0.00 57.90 61.70 3lmn n TYR 61 Cb 0.42 -2.54 0.40 0.00 -0.63 0.00 0.00 39.34 36.98 3lmn n TYR 61 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3lmn n PRO 62 N 3.16 0.27 -0.25 2.98 -0.04 -1.26 -5.02 135.00 134.84 3lmn n PRO 62 Ca 0.16 0.23 0.03 0.00 -0.04 0.00 0.00 63.50 63.87 3lmn n PRO 62 Cb 0.30 -1.82 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 3lmn n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lmn n GLY 63 N 1.29 -1.91 3.67 0.55 0.00 -1.26 -4.85 105.19 102.68 3lmn n GLY 63 Ca 0.05 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 3lmn n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lmn n PRO 64 N -1.40 1.53 -1.64 1.61 -0.02 -1.25 -4.85 135.00 128.98 3lmn n PRO 64 Ca 0.00 0.56 -0.50 0.00 -2.02 0.00 0.00 63.50 61.54 3lmn n PRO 64 Cb 0.11 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 3lmn n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3lmn n ILE 65 N -0.77 0.09 -3.80 4.25 5.41 -0.22 -4.54 119.36 119.78 3lmn n ILE 65 Ca 0.09 -0.02 -0.29 0.00 1.00 0.00 0.00 62.75 63.54 3lmn n ILE 65 Cb 0.42 -1.24 -0.16 0.00 -0.71 0.00 0.00 39.64 37.95 3lmn n ILE 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3lmn s ASP 66 N 1.31 3.53 -0.15 4.38 -1.08 -1.26 -1.36 116.67 122.03 3lmn s ASP 66 Ca 0.84 -1.18 0.17 0.00 -0.52 0.00 0.00 52.55 51.87 3lmn s ASP 66 Cb -0.83 -0.85 0.76 0.00 -1.46 0.00 0.00 42.92 40.53 3lmn s ASP 66 CO 0.46 -0.32 1.67 0.59 0.52 0.00 0.00 175.17 178.09 3lmn n ASN 67 N 4.87 5.08 -0.32 -0.34 3.02 -1.26 -4.61 115.26 121.71 3lmn n ASN 67 Ca -0.08 -2.61 0.08 0.00 -0.03 0.00 0.00 54.58 51.95 3lmn n ASN 67 Cb 0.45 -0.61 0.19 0.00 -0.61 0.00 0.00 39.78 39.19 3lmn n ASN 67 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3lmn h SER 68 N 4.05 -0.60 -0.05 6.41 0.02 -1.93 0.16 113.55 121.61 3lmn h SER 68 Ca 0.00 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3lmn h SER 68 Cb 1.63 0.49 -0.00 0.00 0.14 0.00 0.00 62.40 64.65 3lmn h SER 68 CO 0.32 -0.29 0.13 1.23 -1.14 0.00 0.00 176.83 177.07 3lmn h GLY 69 N 0.03 0.00 0.29 -3.77 0.00 -2.00 0.14 103.07 97.76 3lmn h GLY 69 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3lmn h GLY 69 CO -0.87 0.00 -0.37 1.04 0.00 0.00 0.00 176.54 176.34 3lmn n LEU 70 N -3.31 0.99 -4.29 3.11 4.77 0.56 -4.94 117.00 113.89 3lmn n LEU 70 Ca -0.02 -0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 3lmn n LEU 70 Cb 0.21 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 3lmn n LEU 70 CO 0.21 0.20 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.16 3lmn s LEU 71 N -2.64 2.17 0.45 2.23 1.43 0.50 -0.45 118.68 122.37 3lmn s LEU 71 Ca 0.20 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 3lmn s LEU 71 Cb 0.19 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.91 3lmn s LEU 71 CO 0.59 0.25 1.01 -1.59 0.23 0.00 0.00 176.35 176.84 3lmn s LYS 72 N -0.19 4.00 0.66 1.70 -2.85 -0.84 -4.79 119.74 117.43 3lmn s LYS 72 Ca -0.03 1.31 -0.09 0.00 -1.00 0.00 0.00 55.97 56.17 3lmn s LYS 72 Cb -0.14 -2.20 0.02 0.00 -2.06 0.00 0.00 37.83 33.45 3lmn s LYS 72 CO 0.03 -0.26 1.01 0.16 0.10 0.00 0.00 175.35 176.40 3lmn s ASP 73 N -1.97 5.46 0.00 0.03 3.84 -1.26 -4.52 116.67 118.24 3lmn s ASP 73 Ca 0.64 0.91 0.00 0.00 -0.00 0.00 0.00 52.55 54.10 3lmn s ASP 73 Cb -0.15 -1.78 0.00 0.00 -1.38 0.00 0.00 42.92 39.61 3lmn s ASP 73 CO 0.19 -1.25 0.00 0.61 -0.00 0.00 0.00 175.17 174.72 3lmn n GLY 74 N -2.83 0.83 0.00 2.12 0.00 -1.26 -5.05 105.19 99.01 3lmn n GLY 74 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3lmn n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lmn n ALA 76 N -0.99 -0.79 -2.56 4.61 0.00 -1.26 -5.00 120.51 114.52 3lmn n ALA 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3lmn n ALA 76 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3lmn n ALA 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3lmn s GLN 77 N 0.00 4.25 -0.01 0.00 0.74 -1.26 -5.01 119.66 118.36 3lmn s GLN 77 Ca 0.00 1.48 0.00 0.00 0.05 0.00 0.00 55.36 56.90 3lmn s GLN 77 Cb 0.00 -3.69 0.01 0.00 1.10 0.00 0.00 33.01 30.44 3lmn s GLN 77 CO 0.00 -0.66 -0.00 0.45 -0.55 0.00 0.00 175.29 174.53 3lmn s SER 78 N 1.51 0.26 0.24 6.67 0.15 -1.26 -5.11 113.70 116.16 3lmn s SER 78 Ca 0.48 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.82 3lmn s SER 78 Cb -0.18 -0.10 -0.09 0.00 -1.71 0.00 0.00 66.02 63.94 3lmn s SER 78 CO 0.10 -0.05 1.17 -0.22 1.20 0.00 0.00 173.24 175.44 3lmn s LEU 79 N 0.54 4.49 0.83 3.45 2.96 -1.26 -1.99 118.68 127.69 3lmn s LEU 79 Ca -0.05 2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 56.05 3lmn s LEU 79 Cb -0.08 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.09 3lmn s LEU 79 CO -0.01 -0.30 1.15 -0.54 -1.32 0.00 0.00 176.35 175.32 3lmn s LYS 80 N -0.91 1.64 0.58 1.98 1.02 0.40 -4.67 119.74 119.78 3lmn s LYS 80 Ca 0.49 1.50 -0.08 0.00 0.02 0.00 0.00 55.97 57.90 3lmn s LYS 80 Cb -0.33 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 3lmn s LYS 80 CO 0.40 -2.16 0.94 -1.21 -0.92 0.00 0.00 175.35 172.40 3lmn s GLU 81 N -4.52 3.37 -1.62 1.68 0.41 -1.26 -4.38 118.70 112.38 3lmn s GLU 81 Ca 0.67 0.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 3lmn s GLU 81 Cb -0.23 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 3lmn s GLU 81 CO 0.54 -0.53 0.00 0.72 -0.49 0.00 0.00 175.26 175.50 3lmn n HIS 82 N -2.59 -0.25 -2.33 1.61 8.25 -1.26 -4.98 115.22 113.66 3lmn n HIS 82 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 3lmn n HIS 82 Cb 0.55 -2.99 -0.03 0.00 1.12 0.00 0.00 29.99 28.65 3lmn n HIS 82 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3lmn s LEU 83 N -4.02 4.33 -0.13 2.41 1.43 -1.26 -5.03 118.68 116.41 3lmn s LEU 83 Ca 0.00 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.48 3lmn s LEU 83 Cb 0.00 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.37 3lmn s LEU 83 CO 0.00 -0.48 -0.20 -0.63 0.23 0.00 0.00 176.35 175.26 3lmn s ILE 84 N -1.31 1.91 0.15 -0.59 1.01 -1.26 -5.03 121.20 116.08 3lmn s ILE 84 Ca 0.52 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3lmn s ILE 84 Cb -0.32 -1.70 -0.17 0.00 0.01 0.00 0.00 42.46 40.28 3lmn s ILE 84 CO 0.41 0.52 0.63 -0.67 0.00 0.00 0.00 174.94 175.83 3lmn n ASP 85 N 4.08 -0.97 0.00 3.58 -0.08 -1.26 -0.62 116.55 121.28 3lmn n ASP 85 Ca -0.20 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 3lmn n ASP 85 Cb 0.51 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 43.04 3lmn n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3lmn n GLU 86 N 1.09 0.00 0.19 -0.67 -0.58 0.21 -4.60 120.64 116.29 3lmn n GLU 86 Ca 0.18 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.80 3lmn n GLU 86 Cb 0.21 -0.07 -0.07 0.00 -0.57 0.00 0.00 31.44 30.94 3lmn n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3lmn h LEU 87 N 0.00 -0.46 0.01 -4.62 4.07 -1.89 -3.39 115.31 109.04 3lmn h LEU 87 Ca 0.00 -0.11 -0.33 0.00 0.08 0.00 0.00 57.88 57.52 3lmn h LEU 87 Cb 0.00 0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 3lmn h LEU 87 CO 0.00 -0.03 -2.03 0.47 -1.08 0.00 0.00 178.44 175.77 3lmn n ASP 88 N -5.16 0.76 -3.82 -0.43 8.00 0.21 -4.83 116.55 111.29 3lmn n ASP 88 Ca -0.09 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 3lmn n ASP 88 Cb 0.28 0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 3lmn n ASP 88 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3lmn s TYR 89 N -2.55 0.09 0.38 1.24 -0.85 -1.23 -1.37 117.35 113.05 3lmn s TYR 89 Ca -0.10 -0.50 0.08 0.00 -0.52 0.00 0.00 57.07 56.03 3lmn s TYR 89 Cb 0.07 0.01 -0.06 0.00 0.38 0.00 0.00 41.96 42.36 3lmn s TYR 89 CO 0.81 -0.59 0.06 0.96 -1.52 0.00 0.00 175.55 175.27 3lmn s ILE 90 N -3.86 2.40 -0.04 -3.49 -5.25 0.75 -0.62 121.20 111.10 3lmn s ILE 90 Ca 0.05 -1.89 0.07 0.00 -0.99 0.00 0.00 60.65 57.89 3lmn s ILE 90 Cb 0.04 -2.90 -0.02 0.00 2.95 0.00 0.00 42.46 42.54 3lmn s ILE 90 CO -0.10 -0.10 -0.25 -0.76 -1.79 0.00 0.00 174.94 171.93 3lmn s LEU 91 N -3.77 2.06 0.03 0.37 1.43 -1.26 -0.68 118.68 116.85 3lmn s LEU 91 Ca 0.37 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3lmn s LEU 91 Cb 0.03 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 3lmn s LEU 91 CO 0.20 0.29 -0.19 -0.76 0.23 0.00 0.00 176.35 176.12 3lmn s LEU 92 N -0.42 2.14 1.02 1.79 1.43 -0.56 -4.91 118.68 119.18 3lmn s LEU 92 Ca 0.04 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3lmn s LEU 92 Cb -0.12 -0.90 0.20 0.00 0.03 0.00 0.00 46.19 45.40 3lmn s LEU 92 CO 0.01 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 3lmn s PRO 93 N -1.01 0.26 0.18 1.29 0.04 -1.26 0.07 135.00 134.57 3lmn s PRO 93 Ca 0.06 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.26 3lmn s PRO 93 Cb -0.08 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.86 3lmn s PRO 93 CO 0.01 -2.80 1.66 1.15 0.04 0.00 0.00 177.00 177.06 3lmn h THR 94 N -1.94 0.53 -0.96 1.26 2.02 -1.92 -0.94 112.91 110.97 3lmn h THR 94 Ca -0.52 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.72 3lmn h THR 94 Cb 1.32 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 3lmn h THR 94 CO 0.54 0.00 0.62 -0.08 0.37 0.00 0.00 175.52 176.97 3lmn h GLU 95 N -0.00 1.11 -0.13 6.66 4.81 -1.92 0.58 114.58 125.69 3lmn h GLU 95 Ca 0.22 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3lmn h GLU 95 Cb 0.34 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3lmn h GLU 95 CO -0.48 0.74 -0.04 0.78 -0.73 0.00 0.00 179.01 179.27 3lmn h GLY 96 N 1.15 0.29 0.66 1.92 0.00 -1.57 -1.78 103.07 103.73 3lmn h GLY 96 Ca 0.41 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3lmn h GLY 96 CO -0.16 0.23 -0.06 -0.25 0.00 0.00 0.00 176.54 176.30 3lmn h TRP 97 N -0.05 -0.14 -0.82 5.60 2.91 -0.95 -1.94 115.95 120.57 3lmn h TRP 97 Ca 0.03 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.11 3lmn h TRP 97 Cb 0.48 0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.16 3lmn h TRP 97 CO 0.06 -0.10 0.51 -0.91 -1.03 0.00 0.00 178.44 176.98 3lmn h ASN 98 N -0.04 0.84 0.06 2.65 2.35 -0.87 -0.74 115.58 119.83 3lmn h ASN 98 Ca 0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3lmn h ASN 98 Cb 0.15 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3lmn h ASN 98 CO -0.17 0.56 -0.03 0.11 -1.65 0.00 0.00 177.43 176.26 3lmn h LYS 99 N 0.98 -0.07 -1.00 0.81 1.57 -1.13 -1.36 116.57 116.37 3lmn h LYS 99 Ca 0.34 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3lmn h LYS 99 Cb 0.06 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3lmn h LYS 99 CO -0.13 -0.04 0.66 -0.07 -0.57 0.00 0.00 179.45 179.30 3lmn h LEU 100 N -0.08 1.13 -0.47 2.94 3.38 -0.90 -0.62 115.31 120.70 3lmn h LEU 100 Ca -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3lmn h LEU 100 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3lmn h LEU 100 CO 0.01 0.80 0.06 0.58 0.09 0.00 0.00 178.44 179.99 3lmn h VAL 101 N 1.33 1.25 -0.13 1.22 2.07 -1.02 -0.00 116.25 120.97 3lmn h VAL 101 Ca 0.38 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 3lmn h VAL 101 Cb -0.10 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3lmn h VAL 101 CO -0.10 0.33 -0.35 0.77 0.02 0.00 0.00 177.57 178.25 3lmn h SER 102 N 0.64 0.27 0.19 0.57 4.64 -0.87 0.82 113.55 119.81 3lmn h SER 102 Ca 0.14 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.11 3lmn h SER 102 Cb 0.41 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3lmn h SER 102 CO 0.01 0.60 -1.02 -0.50 -0.87 0.00 0.00 176.83 175.06 3lmn h TRP 103 N 0.23 0.82 0.00 4.77 6.55 -0.87 -3.40 115.95 124.04 3lmn h TRP 103 Ca 0.03 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.41 3lmn h TRP 103 Cb 0.72 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.93 3lmn h TRP 103 CO 0.01 1.29 -1.01 0.66 -1.05 0.00 0.00 178.44 178.34 3lmn n TYR 104 N -3.79 0.00 -0.68 0.49 4.01 -0.04 -4.65 117.16 112.50 3lmn n TYR 104 Ca -0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.73 3lmn n TYR 104 Cb 0.87 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.80 3lmn n TYR 104 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3lmn n THR 105 N -1.53 -0.40 -3.51 -0.72 -2.24 0.28 -3.88 114.28 102.29 3lmn n THR 105 Ca -0.00 0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 61.83 3lmn n THR 105 Cb 0.07 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 3lmn n THR 105 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3lmn s LEU 106 N -5.61 4.34 0.13 3.22 2.96 -1.26 -1.05 118.68 121.40 3lmn s LEU 106 Ca 0.00 0.72 -0.35 0.00 -0.22 0.00 0.00 54.13 54.28 3lmn s LEU 106 Cb 0.00 -2.49 -0.16 0.00 0.50 0.00 0.00 46.19 44.04 3lmn s LEU 106 CO 0.00 0.18 1.22 0.80 -1.32 0.00 0.00 176.35 177.23 3lmn n MET 107 N 2.89 1.06 -1.70 1.98 0.00 -0.47 -4.83 117.12 116.06 3lmn n MET 107 Ca -0.12 0.38 -0.43 0.00 -0.00 0.00 0.00 57.70 57.53 3lmn n MET 107 Cb 0.52 -1.93 -0.01 0.00 0.00 0.00 0.00 33.22 31.80 3lmn n MET 107 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3lmn n GLU 108 N 2.04 2.19 -0.77 2.12 2.13 -1.26 -2.11 120.64 124.98 3lmn n GLU 108 Ca 0.17 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.76 3lmn n GLU 108 Cb 0.21 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.53 3lmn n GLU 108 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3lmn n GLY 109 N 1.12 0.77 3.51 8.31 0.00 -1.26 -5.05 105.19 112.59 3lmn n GLY 109 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3lmn n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lmn s GLN 110 N -0.23 1.84 0.21 1.61 -0.21 -0.90 -5.03 119.66 116.95 3lmn s GLN 110 Ca 0.00 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 54.14 3lmn s GLN 110 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 3lmn s GLN 110 CO 0.00 0.43 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.21 3lmn s GLU 111 N -2.70 1.76 0.54 2.91 8.01 -1.26 -4.88 118.70 123.08 3lmn s GLU 111 Ca 0.23 -1.47 -0.21 0.00 0.01 0.00 0.00 54.97 53.53 3lmn s GLU 111 Cb -0.09 -1.95 -0.06 0.00 -4.31 0.00 0.00 34.13 27.72 3lmn s GLU 111 CO 0.13 0.40 1.13 -2.30 0.01 0.00 0.00 175.26 174.62 3lmn n PRO 112 N -0.00 1.30 -3.47 0.39 -0.02 -1.26 -4.95 135.00 126.98 3lmn n PRO 112 Ca -0.10 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3lmn n PRO 112 Cb 0.57 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 3lmn n PRO 112 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3lmn s ILE 113 N -1.38 5.04 -0.15 4.25 1.01 -1.26 -5.05 121.20 123.66 3lmn s ILE 113 Ca 0.72 -2.98 -0.16 0.00 0.00 0.00 0.00 60.65 58.22 3lmn s ILE 113 Cb -0.44 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 3lmn s ILE 113 CO 0.50 -1.03 0.40 0.00 0.00 0.00 0.00 174.94 174.81 3lmn s ALA 114 N -0.39 3.53 0.11 9.38 0.00 -1.26 -1.92 121.76 131.21 3lmn s ALA 114 Ca 0.21 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3lmn s ALA 114 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3lmn s ALA 114 CO -0.08 -0.01 -0.08 1.03 0.00 0.00 0.00 175.76 176.62 3lmn s ARG 115 N 0.67 0.89 0.01 0.00 1.81 0.21 -4.99 118.95 117.55 3lmn s ARG 115 Ca 0.22 -1.34 0.01 0.00 -1.72 0.00 0.00 55.73 52.90 3lmn s ARG 115 Cb -0.14 -0.35 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 3lmn s ARG 115 CO 0.08 0.02 0.06 0.15 -0.68 0.00 0.00 175.30 174.93 3lmn s LYS 116 N -3.66 2.97 -0.14 3.54 -0.14 -1.26 -0.51 119.74 120.54 3lmn s LYS 116 Ca 0.12 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 3lmn s LYS 116 Cb 0.03 -2.79 -0.02 0.00 -1.68 0.00 0.00 37.83 33.37 3lmn s LYS 116 CO -0.03 0.63 1.27 0.08 -0.76 0.00 0.00 175.35 176.54 3lmn s VAL 117 N -1.20 4.24 0.28 3.17 1.01 -0.33 -4.95 120.40 122.62 3lmn s VAL 117 Ca 0.23 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.82 3lmn s VAL 117 Cb -0.12 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3lmn s VAL 117 CO 0.14 -0.11 -0.06 0.68 0.00 0.00 0.00 175.10 175.75 3lmn s VAL 118 N 3.33 3.06 -0.20 2.92 -7.23 -1.26 -0.47 120.40 120.54 3lmn s VAL 118 Ca 0.56 -2.07 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 3lmn s VAL 118 Cb -0.23 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3lmn s VAL 118 CO 0.16 -0.36 0.58 -1.61 -0.31 0.00 0.00 175.10 173.56 3lmn s GLU 119 N -3.63 4.20 -0.06 4.82 2.02 -1.26 -4.93 118.70 119.86 3lmn s GLU 119 Ca 0.31 0.52 0.04 0.00 0.02 0.00 0.00 54.97 55.87 3lmn s GLU 119 Cb -0.05 -3.58 -0.00 0.00 0.10 0.00 0.00 34.13 30.60 3lmn s GLU 119 CO 0.18 -0.21 -0.18 -1.14 0.02 0.00 0.00 175.26 173.93 3lmn s GLN 120 N 1.83 2.02 0.23 1.61 0.74 -1.26 -5.12 119.66 119.70 3lmn s GLN 120 Ca 0.26 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.73 3lmn s GLN 120 Cb -0.16 -1.69 -0.09 0.00 1.10 0.00 0.00 33.01 32.18 3lmn s GLN 120 CO 0.10 0.21 1.02 0.20 -0.55 0.00 0.00 175.29 176.27 3lmn s GLY 121 N 0.16 3.04 -0.11 2.59 0.00 -1.26 -5.06 107.32 106.69 3lmn s GLY 121 Ca -0.08 0.73 -0.10 0.00 0.00 0.00 0.00 44.72 45.28 3lmn s GLY 121 CO 0.03 1.40 0.29 -3.16 0.00 0.00 0.00 173.10 171.66 3lmn s MET 122 N -0.98 0.33 -0.13 2.90 0.23 -1.26 -5.14 119.30 115.26 3lmn s MET 122 Ca 0.44 0.39 -0.22 0.00 -1.03 0.00 0.00 55.69 55.28 3lmn s MET 122 Cb -0.28 0.16 -0.03 0.00 -1.53 0.00 0.00 34.83 33.15 3lmn s MET 122 CO 0.35 -0.04 0.64 0.12 -2.03 0.00 0.00 175.02 174.06 3lmn s PHE 123 N 0.15 3.49 0.18 3.16 5.36 -1.26 -5.06 117.98 123.99 3lmn s PHE 123 Ca -0.00 1.07 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 3lmn s PHE 123 Cb -0.02 -2.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.85 3lmn s PHE 123 CO 0.00 -0.00 -0.02 0.14 -1.46 0.00 0.00 175.22 173.88 3lmn s VAL 124 N 1.21 0.86 -0.23 3.12 -7.23 -1.26 -5.15 120.40 111.72 3lmn s VAL 124 Ca 0.32 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 3lmn s VAL 124 Cb -0.16 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.69 3lmn s VAL 124 CO 0.14 -0.52 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.82 3lmn s LYS 125 N -3.86 3.17 -0.05 4.82 -0.14 -1.26 -5.11 119.74 117.31 3lmn s LYS 125 Ca 0.23 -0.76 0.04 0.00 -1.36 0.00 0.00 55.97 54.12 3lmn s LYS 125 Cb 0.05 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 3lmn s LYS 125 CO 0.04 -0.28 -0.17 -1.01 -0.76 0.00 0.00 175.35 173.16 3lmn s HIS 126 N 1.43 2.62 0.28 3.18 3.76 -1.26 -5.11 115.29 120.19 3lmn s HIS 126 Ca 0.04 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 3lmn s HIS 126 Cb -0.15 -1.61 -0.10 0.00 1.11 0.00 0.00 32.58 31.84 3lmn s HIS 126 CO -0.04 0.12 1.23 0.00 -0.85 0.00 0.00 174.74 175.20 3lmn s LYS 128 N -1.28 0.46 -0.09 0.00 -2.85 -1.26 -5.11 119.74 109.61 3lmn s LYS 128 Ca 0.49 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.75 3lmn s LYS 128 Cb -0.36 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 3lmn s LYS 128 CO 0.45 -0.11 1.25 0.08 0.10 0.00 0.00 175.35 177.13 3lmn s VAL 129 N -1.36 4.19 -0.96 1.79 1.01 -1.26 -4.96 120.40 118.85 3lmn s VAL 129 Ca -0.15 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 3lmn s VAL 129 Cb -0.08 -3.97 0.09 0.00 0.00 0.00 0.00 36.38 32.42 3lmn s VAL 129 CO 0.01 -0.05 1.28 -0.70 0.00 0.00 0.00 175.10 175.64 3lmn s GLU 130 N 2.68 3.56 0.05 2.72 2.12 -1.26 -4.82 118.70 123.75 3lmn s GLU 130 Ca 0.57 -1.38 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 3lmn s GLU 130 Cb -0.25 -5.08 -0.25 0.00 0.26 0.00 0.00 34.13 28.82 3lmn s GLU 130 CO 0.20 -1.99 1.14 0.28 -0.54 0.00 0.00 175.26 174.35 3lmn h VAL 131 N 6.30 1.32 -3.37 3.70 2.07 -2.07 -3.42 116.25 120.77 3lmn h VAL 131 Ca 0.15 -2.27 -0.66 0.00 0.82 0.00 0.00 66.70 64.74 3lmn h VAL 131 Cb 1.02 2.52 -0.27 0.00 -1.52 0.00 0.00 31.29 33.04 3lmn h VAL 131 CO 1.27 0.69 -0.73 -0.31 0.02 0.00 0.00 177.57 178.51 3lmn s TYR 132 N -3.19 2.94 0.00 1.57 2.02 -1.26 -5.35 117.35 114.07 3lmn s TYR 132 Ca -0.11 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 3lmn s TYR 132 Cb 0.06 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 3lmn s TYR 132 CO 0.90 -0.46 0.00 1.28 -1.57 0.00 0.00 175.55 175.70