#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlm n TRP 2 N 0.00 0.00 -0.40 4.41 4.27 -1.25 -4.40 117.44 120.06 1vlm n TRP 2 Ca 0.00 0.00 0.32 0.00 -3.89 0.00 0.00 57.50 53.93 1vlm n TRP 2 Cb 0.00 -0.02 0.61 0.00 -1.36 0.00 0.00 31.31 30.54 1vlm n TRP 2 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1vlm h HIS 3 N 0.00 0.56 -0.84 -2.67 3.86 -2.00 -1.70 115.15 112.35 1vlm h HIS 3 Ca 0.00 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1vlm h HIS 3 Cb 0.00 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.26 1vlm h HIS 3 CO 0.00 -0.12 0.55 0.97 0.86 0.00 0.00 177.93 180.18 1vlm h ILE 4 N 0.18 0.93 -0.05 2.45 6.09 -1.98 -1.71 117.51 123.42 1vlm h ILE 4 Ca 0.75 -0.26 -0.10 0.00 -1.37 0.00 0.00 64.86 63.87 1vlm h ILE 4 Cb 2.24 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 1vlm h ILE 4 CO -0.38 0.14 -0.44 -0.26 -3.07 0.00 0.00 178.15 174.15 1vlm h PHE 5 N 0.77 0.13 -0.61 2.19 0.04 -1.67 -2.02 116.94 115.77 1vlm h PHE 5 Ca 0.40 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 61.07 1vlm h PHE 5 Cb 0.50 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1vlm h PHE 5 CO -0.00 0.53 0.13 0.93 -0.60 0.00 0.00 178.31 179.31 1vlm h GLU 6 N 0.09 0.98 0.00 1.51 4.39 -1.42 -2.88 114.58 117.26 1vlm h GLU 6 Ca 0.01 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1vlm h GLU 6 Cb 0.81 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1vlm h GLU 6 CO 0.06 0.91 -0.12 0.00 -1.16 0.00 0.00 179.01 178.70 1vlm h ARG 7 N 0.89 0.00 -0.59 2.33 3.08 -1.05 -3.31 114.38 115.73 1vlm h ARG 7 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.90 1vlm h ARG 7 Cb 0.38 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.02 1vlm h ARG 7 CO 0.01 0.12 -1.04 1.19 -1.07 0.00 0.00 179.97 179.17 1vlm n PHE 8 N -3.15 1.67 -0.18 3.04 3.01 -0.80 -4.92 117.46 116.12 1vlm n PHE 8 Ca 0.03 -2.25 -0.07 0.00 1.01 0.00 0.00 57.45 56.17 1vlm n PHE 8 Cb 0.52 -0.26 0.02 0.00 -0.01 0.00 0.00 39.48 39.75 1vlm n PHE 8 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1vlm h VAL 9 N 4.48 1.13 -0.79 -4.37 3.04 -1.60 -0.73 116.25 117.40 1vlm h VAL 9 Ca -0.00 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 65.42 1vlm h VAL 9 Cb 1.31 0.36 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 1vlm h VAL 9 CO 0.37 0.13 0.40 0.78 -1.01 0.00 0.00 177.57 178.23 1vlm h ASN 10 N 0.71 1.02 -0.71 3.17 2.35 -1.91 -1.38 115.58 118.83 1vlm h ASN 10 Ca 0.19 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1vlm h ASN 10 Cb -0.08 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 1vlm h ASN 10 CO -0.04 0.85 0.24 -0.08 -1.65 0.00 0.00 177.43 176.74 1vlm h GLU 11 N 1.12 1.11 -0.37 0.81 4.57 -1.83 -0.86 114.58 119.13 1vlm h GLU 11 Ca 0.28 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1vlm h GLU 11 Cb 0.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1vlm h GLU 11 CO -0.04 0.94 0.23 -0.92 -1.18 0.00 0.00 179.01 178.04 1vlm h TYR 12 N 1.07 0.48 -0.36 0.92 3.20 -0.85 -2.98 116.97 118.44 1vlm h TYR 12 Ca 0.24 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 1vlm h TYR 12 Cb 0.28 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1vlm h TYR 12 CO 0.02 0.33 -0.42 0.93 -1.64 0.00 0.00 178.16 177.39 1vlm h GLU 13 N 0.49 0.92 -0.85 1.82 4.39 -0.99 -3.04 114.58 117.32 1vlm h GLU 13 Ca 0.13 -0.50 0.20 0.00 0.34 0.00 0.00 59.36 59.53 1vlm h GLU 13 Cb -0.02 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.54 1vlm h GLU 13 CO -0.03 1.15 0.33 -0.09 -1.16 0.00 0.00 179.01 179.22 1vlm h ARG 14 N 0.74 0.36 -1.00 2.33 9.65 -1.05 -0.56 114.38 124.86 1vlm h ARG 14 Ca 0.05 -0.02 0.24 0.00 -1.10 0.00 0.00 59.98 59.15 1vlm h ARG 14 Cb 1.01 -0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 29.42 1vlm h ARG 14 CO 0.10 0.24 0.64 2.35 2.80 0.00 0.00 179.97 186.10 1vlm h TRP 15 N 0.37 0.70 0.00 2.20 7.01 -1.40 0.23 115.95 125.07 1vlm h TRP 15 Ca 0.52 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.47 1vlm h TRP 15 Cb 0.94 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.79 1vlm h TRP 15 CO -0.17 0.11 -0.32 0.74 -2.79 0.00 0.00 178.44 176.01 1vlm h PHE 16 N 0.46 0.00 0.18 2.65 0.04 -1.23 0.24 116.94 119.29 1vlm h PHE 16 Ca 0.56 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.98 1vlm h PHE 16 Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.47 1vlm h PHE 16 CO -0.00 0.32 -1.75 -0.07 -0.60 0.00 0.00 178.31 176.21 1vlm h LEU 17 N 0.00 0.61 -0.38 1.54 4.07 -1.10 -3.15 115.31 116.90 1vlm h LEU 17 Ca -0.00 -0.94 -0.19 0.00 0.08 0.00 0.00 57.88 56.83 1vlm h LEU 17 Cb 1.11 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 1vlm h LEU 17 CO 0.04 1.79 -0.69 0.58 -1.08 0.00 0.00 178.44 179.09 1vlm h VAL 18 N 0.09 1.34 -1.74 1.22 2.07 -0.96 -3.33 116.25 114.94 1vlm h VAL 18 Ca -0.35 -2.00 -0.61 0.00 0.82 0.00 0.00 66.70 64.56 1vlm h VAL 18 Cb 2.09 1.98 -0.40 0.00 -1.52 0.00 0.00 31.29 33.43 1vlm h VAL 18 CO 0.17 0.61 -0.49 1.41 0.02 0.00 0.00 177.57 179.30 1vlm n HIS 19 N -3.90 3.49 -0.21 1.57 8.25 0.07 -4.88 115.22 119.62 1vlm n HIS 19 Ca -0.05 -3.21 -0.06 0.00 -0.26 0.00 0.00 57.72 54.15 1vlm n HIS 19 Cb 0.69 -0.30 0.04 0.00 1.12 0.00 0.00 29.99 31.53 1vlm n HIS 19 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1vlm h ARG 20 N 2.75 0.78 -0.35 -0.41 2.43 -1.66 -1.26 114.38 116.67 1vlm h ARG 20 Ca 0.30 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1vlm h ARG 20 Cb 0.73 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1vlm h ARG 20 CO 0.91 0.52 -0.15 0.74 -1.51 0.00 0.00 179.97 180.48 1vlm h PHE 21 N 0.81 0.68 -0.42 2.20 0.04 -1.89 -0.11 116.94 118.25 1vlm h PHE 21 Ca 0.22 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1vlm h PHE 21 Cb -0.09 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 1vlm h PHE 21 CO -0.03 0.73 0.01 0.00 -0.60 0.00 0.00 178.31 178.42 1vlm h ALA 22 N 1.28 0.56 -0.35 2.45 0.00 -1.81 -1.26 119.26 120.14 1vlm h ALA 22 Ca 0.10 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1vlm h ALA 22 Cb 0.58 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1vlm h ALA 22 CO 0.04 0.34 0.10 -0.92 0.00 0.00 0.00 179.25 178.81 1vlm h TYR 23 N 0.57 0.17 -0.04 0.00 3.20 -0.86 -1.51 116.97 118.52 1vlm h TYR 23 Ca 0.12 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1vlm h TYR 23 Cb 0.47 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1vlm h TYR 23 CO 0.04 0.06 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.33 1vlm h LEU 24 N 0.23 0.06 -0.03 2.82 3.38 -0.93 -1.35 115.31 119.49 1vlm h LEU 24 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1vlm h LEU 24 Cb 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1vlm h LEU 24 CO -0.19 0.28 0.00 0.28 0.09 0.00 0.00 178.44 178.90 1vlm h SER 25 N 0.06 0.06 -0.33 -0.43 0.02 -0.80 -1.76 113.55 110.37 1vlm h SER 25 Ca 0.01 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1vlm h SER 25 Cb 0.41 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1vlm h SER 25 CO 0.03 0.35 0.21 -0.33 -1.14 0.00 0.00 176.83 175.95 1vlm h GLU 26 N -0.23 0.42 -0.61 3.45 5.08 -1.00 -1.19 114.58 120.50 1vlm h GLU 26 Ca 0.01 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1vlm h GLU 26 Cb 0.32 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1vlm h GLU 26 CO 0.00 0.28 0.29 -0.07 -1.00 0.00 0.00 179.01 178.50 1vlm h LEU 27 N 0.43 0.37 -0.97 1.33 3.38 -1.18 -1.65 115.31 117.02 1vlm h LEU 27 Ca 0.12 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vlm h LEU 27 Cb -0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1vlm h LEU 27 CO -0.03 0.23 0.59 -0.61 0.09 0.00 0.00 178.44 178.71 1vlm h GLN 28 N 0.52 1.30 -0.42 1.13 4.15 -1.05 0.14 115.11 120.88 1vlm h GLN 28 Ca 0.29 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 1vlm h GLN 28 Cb 0.28 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1vlm h GLN 28 CO -0.24 0.90 -0.25 0.00 -1.93 0.00 0.00 178.83 177.31 1vlm h ALA 29 N 1.33 0.77 -0.28 3.38 0.00 -0.56 -2.16 119.26 121.74 1vlm h ALA 29 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1vlm h ALA 29 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1vlm h ALA 29 CO -0.07 0.66 -0.03 0.28 0.00 0.00 0.00 179.25 180.09 1vlm h VAL 30 N 0.75 1.27 -0.86 0.00 2.07 -1.07 -3.04 116.25 115.37 1vlm h VAL 30 Ca 0.09 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.73 1vlm h VAL 30 Cb 0.80 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 1vlm h VAL 30 CO 0.07 0.32 0.56 0.50 0.02 0.00 0.00 177.57 179.03 1vlm h LYS 31 N 0.28 0.75 -0.85 1.57 3.64 -0.61 -1.38 116.57 119.96 1vlm h LYS 31 Ca 0.07 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 1vlm h LYS 31 Cb 0.48 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 1vlm h LYS 31 CO 0.02 0.50 0.56 0.00 -2.27 0.00 0.00 179.45 178.25 1vlm n LEU 33 N -4.52 2.53 -4.69 0.00 4.77 -0.58 -4.99 117.00 109.52 1vlm n LEU 33 Ca 0.17 -1.48 -0.42 0.00 -0.03 0.00 0.00 56.01 54.25 1vlm n LEU 33 Cb 0.56 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1vlm n LEU 33 CO 0.31 0.56 0.78 -0.22 -1.33 0.00 0.00 177.39 177.49 1vlm s LEU 34 N -1.03 4.28 0.71 2.23 2.96 -0.87 -4.99 118.68 121.98 1vlm s LEU 34 Ca 0.20 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.73 1vlm s LEU 34 Cb 0.12 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.38 1vlm s LEU 34 CO 0.17 -0.41 0.98 -2.16 -1.32 0.00 0.00 176.35 173.60 1vlm s PRO 35 N 1.74 1.71 0.83 0.98 0.04 -1.26 -5.01 135.00 134.03 1vlm s PRO 35 Ca 0.50 -1.22 -0.12 0.00 0.04 0.00 0.00 61.00 60.21 1vlm s PRO 35 Cb -0.20 -2.37 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1vlm s PRO 35 CO 0.21 -1.41 1.11 -1.21 0.04 0.00 0.00 177.00 175.74 1vlm s GLU 36 N -5.10 1.78 0.00 4.56 8.01 -1.26 -4.97 118.70 121.72 1vlm s GLU 36 Ca 0.66 0.55 0.00 0.00 0.01 0.00 0.00 54.97 56.19 1vlm s GLU 36 Cb -0.05 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.88 1vlm s GLU 36 CO 0.44 -1.81 0.00 0.41 0.01 0.00 0.00 175.26 174.30 1vlm n GLY 37 N -2.09 -1.46 3.62 -1.39 0.00 -1.26 -4.78 105.19 97.83 1vlm n GLY 37 Ca 0.07 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1vlm n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vlm s ARG 38 N 0.00 4.09 0.29 1.61 3.52 -1.26 -4.92 118.95 122.28 1vlm s ARG 38 Ca 0.00 0.29 0.10 0.00 -0.13 0.00 0.00 55.73 55.99 1vlm s ARG 38 Cb 0.00 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1vlm s ARG 38 CO 0.00 -0.29 -0.04 0.20 -0.81 0.00 0.00 175.30 174.35 1vlm s GLY 39 N 1.47 1.81 -0.02 8.12 0.00 -1.25 -0.45 107.32 117.00 1vlm s GLY 39 Ca 0.21 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1vlm s GLY 39 CO 0.09 -1.82 -0.08 0.54 0.00 0.00 0.00 173.10 171.83 1vlm s VAL 40 N -2.41 0.70 -0.27 1.40 0.11 -0.71 -4.17 120.40 115.05 1vlm s VAL 40 Ca 0.32 -0.31 -0.14 0.00 -2.93 0.00 0.00 61.98 58.92 1vlm s VAL 40 Cb -0.05 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1vlm s VAL 40 CO 0.19 0.22 0.32 -0.70 -3.33 0.00 0.00 175.10 171.80 1vlm s GLU 41 N 0.22 4.01 -0.29 1.54 2.12 -0.50 -0.88 118.70 124.91 1vlm s GLU 41 Ca -0.03 -0.05 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 1vlm s GLU 41 Cb -0.08 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1vlm s GLU 41 CO 0.00 -0.23 0.70 0.42 -0.54 0.00 0.00 175.26 175.61 1vlm s ILE 42 N 1.91 4.89 0.00 -3.70 1.01 0.04 -1.29 121.20 124.06 1vlm s ILE 42 Ca 0.13 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1vlm s ILE 42 Cb -0.16 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1vlm s ILE 42 CO 0.10 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1vlm n GLY 43 N 4.26 0.46 0.14 6.18 0.00 0.07 -4.50 105.19 111.81 1vlm n GLY 43 Ca 0.01 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1vlm n GLY 43 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1vlm h VAL 44 N 0.00 0.00 0.00 1.61 3.04 -1.50 -3.46 116.25 115.94 1vlm h VAL 44 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1vlm h VAL 44 Cb 0.94 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1vlm h VAL 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 1vlm n GLY 45 N -0.12 3.45 0.86 3.17 0.00 -1.26 -1.20 105.19 110.10 1vlm n GLY 45 Ca 0.02 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1vlm n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vlm n THR 46 N 0.00 0.74 -0.60 2.61 -2.24 -1.26 -4.00 114.28 109.53 1vlm n THR 46 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1vlm n THR 46 Cb 0.00 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1vlm n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vlm n GLY 47 N 1.00 0.65 0.28 3.38 0.00 -0.34 -3.63 105.19 106.53 1vlm n GLY 47 Ca 0.14 -0.46 0.16 0.00 0.00 0.00 0.00 46.02 45.86 1vlm n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vlm h ARG 48 N 0.67 0.00 0.00 1.61 2.47 -1.91 -1.41 114.38 115.81 1vlm h ARG 48 Ca 0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 1vlm h ARG 48 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 1vlm h ARG 48 CO 0.00 0.07 -2.26 1.19 0.56 0.00 0.00 179.97 179.53 1vlm n PHE 49 N -3.34 0.00 -0.18 3.04 3.72 -1.26 -4.61 117.46 114.83 1vlm n PHE 49 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1vlm n PHE 49 Cb 0.25 -0.81 0.08 0.00 -0.94 0.00 0.00 39.48 38.05 1vlm n PHE 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vlm h ALA 50 N -0.68 0.67 0.63 4.37 0.00 -1.86 -1.76 119.26 120.63 1vlm h ALA 50 Ca -0.56 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1vlm h ALA 50 Cb 1.54 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1vlm h ALA 50 CO -0.30 -0.21 -0.30 0.28 0.00 0.00 0.00 179.25 178.72 1vlm h VAL 51 N 0.37 0.35 0.00 0.00 2.07 -1.50 0.95 116.25 118.49 1vlm h VAL 51 Ca 0.26 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1vlm h VAL 51 Cb 0.29 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1vlm h VAL 51 CO -0.27 0.02 -0.25 1.55 0.02 0.00 0.00 177.57 178.65 1vlm h PRO 52 N -0.93 0.00 -0.01 1.57 0.13 -1.77 -2.65 132.00 128.34 1vlm h PRO 52 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1vlm h PRO 52 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1vlm h PRO 52 CO 0.14 0.25 -0.07 1.28 -0.23 0.00 0.00 178.00 179.37 1vlm n LEU 53 N -4.09 0.66 -2.74 1.56 4.77 -0.66 -4.93 117.00 111.57 1vlm n LEU 53 Ca -0.02 -0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 1vlm n LEU 53 Cb 0.31 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1vlm n LEU 53 CO 0.36 0.12 0.04 0.29 -1.33 0.00 0.00 177.39 176.87 1vlm n LYS 54 N -0.66 -4.77 -3.03 3.23 5.02 0.23 -4.97 118.16 113.21 1vlm n LYS 54 Ca 0.17 0.78 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 1vlm n LYS 54 Cb 0.27 -5.41 -0.05 0.00 -0.02 0.00 0.00 35.03 29.82 1vlm n LYS 54 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vlm s ILE 55 N -3.13 4.96 -0.09 -0.18 1.01 -0.62 -4.97 121.20 118.19 1vlm s ILE 55 Ca 0.31 1.36 0.15 0.00 0.00 0.00 0.00 60.65 62.47 1vlm s ILE 55 Cb -0.14 -4.02 -0.17 0.00 0.01 0.00 0.00 42.46 38.15 1vlm s ILE 55 CO 0.38 0.07 0.80 0.11 0.00 0.00 0.00 174.94 176.30 1vlm h LYS 56 N 7.44 0.00 -6.10 2.79 1.79 -1.87 -3.42 116.57 117.21 1vlm h LYS 56 Ca -0.30 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.48 1vlm h LYS 56 Cb 1.14 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.59 1vlm h LYS 56 CO 0.80 0.39 -0.70 0.42 -1.08 0.00 0.00 179.45 179.28 1vlm s ILE 57 N -2.79 3.63 0.05 1.86 -1.09 -1.26 -0.75 121.20 120.84 1vlm s ILE 57 Ca -0.03 -0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1vlm s ILE 57 Cb 0.08 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 1vlm s ILE 57 CO 0.81 0.59 0.03 -0.83 -1.23 0.00 0.00 174.94 174.32 1vlm s GLY 58 N -0.71 0.32 -0.04 6.18 0.00 -0.48 -1.42 107.32 111.18 1vlm s GLY 58 Ca 0.11 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.97 1vlm s GLY 58 CO 0.01 -1.03 -0.21 0.14 0.00 0.00 0.00 173.10 172.01 1vlm s VAL 59 N -3.36 1.68 -0.26 1.40 1.01 -0.41 -0.73 120.40 119.72 1vlm s VAL 59 Ca 0.02 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1vlm s VAL 59 Cb 0.04 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 35.08 1vlm s VAL 59 CO -0.08 0.47 0.65 -0.70 0.00 0.00 0.00 175.10 175.44 1vlm s GLU 60 N -0.22 0.66 0.40 2.72 2.56 -0.89 -0.75 118.70 123.19 1vlm s GLU 60 Ca 0.01 1.16 0.21 0.00 0.00 0.00 0.00 54.97 56.35 1vlm s GLU 60 Cb -0.11 0.12 0.31 0.00 2.00 0.00 0.00 34.13 36.45 1vlm s GLU 60 CO 0.01 -0.15 1.58 -1.00 -0.56 0.00 0.00 175.26 175.15 1vlm h PRO 61 N 6.99 0.00 -5.63 4.30 0.13 -1.62 -2.77 132.00 133.40 1vlm h PRO 61 Ca -0.31 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 1vlm h PRO 61 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1vlm h PRO 61 CO 0.18 0.13 0.29 0.45 -0.23 0.00 0.00 178.00 178.82 1vlm s SER 62 N -6.26 6.68 0.26 1.44 0.15 -1.26 -4.82 113.70 109.90 1vlm s SER 62 Ca 0.06 0.84 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 1vlm s SER 62 Cb 0.06 -2.38 0.32 0.00 -1.71 0.00 0.00 66.02 62.31 1vlm s SER 62 CO 0.68 -0.44 1.91 1.05 1.20 0.00 0.00 173.24 177.65 1vlm h GLU 63 N 7.81 1.17 -0.13 5.44 9.09 -2.02 -0.76 114.58 135.20 1vlm h GLU 63 Ca -0.25 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1vlm h GLU 63 Cb 1.11 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 1vlm h GLU 63 CO 0.82 0.83 0.00 -2.13 0.05 0.00 0.00 179.01 178.57 1vlm n ARG 64 N -4.36 0.20 0.00 1.06 0.63 -1.26 -1.42 116.66 111.51 1vlm n ARG 64 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1vlm n ARG 64 Cb 0.07 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 31.91 1vlm n ARG 64 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vlm n ALA 66 N 0.06 0.00 -0.30 5.13 0.00 -0.29 -3.09 120.51 122.01 1vlm n ALA 66 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1vlm n ALA 66 Cb 0.03 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.59 1vlm n ALA 66 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vlm h GLU 67 N 0.00 1.19 -0.13 0.00 4.11 -1.50 0.82 114.58 119.09 1vlm h GLU 67 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1vlm h GLU 67 Cb 0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1vlm h GLU 67 CO 0.00 0.89 0.05 0.82 0.07 0.00 0.00 179.01 180.83 1vlm h ILE 68 N 1.20 1.16 -0.83 -1.06 2.04 -1.82 -1.97 117.51 116.23 1vlm h ILE 68 Ca 0.30 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1vlm h ILE 68 Cb 0.05 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1vlm h ILE 68 CO -0.05 0.15 0.54 0.00 0.00 0.00 0.00 178.15 178.80 1vlm h ALA 69 N 0.87 1.58 -0.45 1.87 0.00 -1.48 -2.29 119.26 119.36 1vlm h ALA 69 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1vlm h ALA 69 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1vlm h ALA 69 CO -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 1vlm h ARG 70 N 0.93 0.82 -0.14 0.00 3.08 -0.73 -1.59 114.38 116.75 1vlm h ARG 70 Ca 0.36 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1vlm h ARG 70 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1vlm h ARG 70 CO -0.13 0.90 0.02 0.87 -1.07 0.00 0.00 179.97 180.56 1vlm h LYS 71 N 0.66 0.19 -0.07 0.04 1.57 -1.01 -1.40 116.57 116.55 1vlm h LYS 71 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1vlm h LYS 71 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1vlm h LYS 71 CO 0.03 0.19 0.00 0.54 -0.57 0.00 0.00 179.45 179.64 1vlm n ARG 72 N -4.44 1.42 0.00 3.15 1.74 -0.89 -4.91 116.66 112.72 1vlm n ARG 72 Ca -0.01 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.44 1vlm n ARG 72 Cb 0.14 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1vlm n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vlm n GLY 73 N 1.03 0.61 3.76 -0.13 0.00 -0.53 -4.96 105.19 104.97 1vlm n GLY 73 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1vlm n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vlm s VAL 74 N -2.00 4.13 -0.33 1.61 1.01 -0.64 -4.99 120.40 119.19 1vlm s VAL 74 Ca 0.00 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.77 1vlm s VAL 74 Cb 0.00 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1vlm s VAL 74 CO 0.00 0.44 0.62 0.12 0.00 0.00 0.00 175.10 176.29 1vlm s PHE 75 N -1.25 3.18 -0.15 5.22 5.36 0.07 -3.94 117.98 126.47 1vlm s PHE 75 Ca 0.42 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 1vlm s PHE 75 Cb -0.24 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1vlm s PHE 75 CO 0.30 -0.56 -0.16 0.08 -1.46 0.00 0.00 175.22 173.42 1vlm s VAL 76 N 2.65 2.58 -0.15 3.12 1.01 -1.26 -1.38 120.40 126.96 1vlm s VAL 76 Ca 0.24 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1vlm s VAL 76 Cb -0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1vlm s VAL 76 CO 0.13 0.52 0.29 -0.76 0.00 0.00 0.00 175.10 175.29 1vlm s LEU 77 N 0.84 4.26 0.06 3.92 1.43 0.09 -4.99 118.68 124.30 1vlm s LEU 77 Ca -0.05 0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 53.28 1vlm s LEU 77 Cb -0.15 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1vlm s LEU 77 CO -0.01 0.12 1.28 -0.75 0.23 0.00 0.00 176.35 177.22 1vlm s LYS 78 N 0.32 4.38 0.00 1.70 2.20 -1.26 -2.09 119.74 124.98 1vlm s LYS 78 Ca 0.17 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 1vlm s LYS 78 Cb -0.13 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1vlm s LYS 78 CO 0.04 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1vlm n GLY 79 N 3.36 1.12 3.83 5.54 0.00 -1.05 -4.82 105.19 113.18 1vlm n GLY 79 Ca 0.10 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1vlm n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vlm s THR 80 N -2.00 3.19 0.44 2.61 -4.23 -1.25 -1.63 115.64 112.77 1vlm s THR 80 Ca 0.00 -1.44 0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1vlm s THR 80 Cb 0.00 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 70.98 1vlm s THR 80 CO 0.00 -0.13 2.05 0.00 -0.54 0.00 0.00 174.62 176.00 1vlm h ALA 81 N 1.26 1.75 0.00 3.99 0.00 -1.97 -2.47 119.26 121.83 1vlm h ALA 81 Ca -0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1vlm h ALA 81 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vlm h ALA 81 CO 0.59 0.20 -0.22 0.93 0.00 0.00 0.00 179.25 180.76 1vlm h GLU 82 N 0.27 0.00 -2.66 0.00 3.07 -1.90 -3.38 114.58 109.99 1vlm h GLU 82 Ca 0.07 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.33 1vlm h GLU 82 Cb 0.08 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 27.60 1vlm h GLU 82 CO -0.01 0.22 -0.83 -0.80 -1.40 0.00 0.00 179.01 176.19 1vlm s ASN 83 N -6.25 2.74 -0.10 1.42 0.01 -0.93 -4.87 114.94 106.95 1vlm s ASN 83 Ca 0.04 -2.99 -0.30 0.00 -0.71 0.00 0.00 52.86 48.91 1vlm s ASN 83 Cb 0.07 -0.77 -0.02 0.00 0.41 0.00 0.00 41.25 40.94 1vlm s ASN 83 CO 0.68 -0.19 1.17 -0.76 -1.51 0.00 0.00 177.10 176.49 1vlm s LEU 84 N -0.01 4.24 -1.49 0.60 1.43 -1.21 -3.88 118.68 118.35 1vlm s LEU 84 Ca 0.26 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.98 1vlm s LEU 84 Cb -0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1vlm s LEU 84 CO -0.12 -0.61 2.67 -0.81 0.23 0.00 0.00 176.35 177.71 1vlm n PRO 85 N 5.58 3.97 -3.96 1.29 -0.04 -1.26 -4.82 135.00 135.76 1vlm n PRO 85 Ca 0.11 -2.73 -0.09 0.00 -0.04 0.00 0.00 63.50 60.75 1vlm n PRO 85 Cb 0.46 -2.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 1vlm n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vlm s LEU 86 N -0.53 2.13 0.55 1.53 1.43 -1.26 -5.08 118.68 117.45 1vlm s LEU 86 Ca 0.62 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1vlm s LEU 86 Cb 0.18 0.21 -0.06 0.00 0.03 0.00 0.00 46.19 46.55 1vlm s LEU 86 CO -0.07 -0.32 1.04 -0.54 0.23 0.00 0.00 176.35 176.68 1vlm s LYS 87 N -1.54 3.55 0.37 1.70 -0.14 -1.26 -4.96 119.74 117.47 1vlm s LYS 87 Ca -0.15 1.20 -0.26 0.00 -1.36 0.00 0.00 55.97 55.40 1vlm s LYS 87 Cb -0.09 -2.07 -0.12 0.00 -1.68 0.00 0.00 37.83 33.87 1vlm s LYS 87 CO -0.01 -0.62 1.04 -0.25 -0.76 0.00 0.00 175.35 174.75 1vlm n ASP 88 N -1.68 1.44 -4.08 2.83 9.92 -1.26 -3.69 116.55 120.02 1vlm n ASP 88 Ca 0.08 1.10 -0.34 0.00 -0.53 0.00 0.00 54.79 55.11 1vlm n ASP 88 Cb 0.53 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 1vlm n ASP 88 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1vlm n GLU 89 N 0.40 -1.42 0.00 -1.24 1.02 -0.73 -4.86 120.64 113.81 1vlm n GLU 89 Ca 0.09 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1vlm n GLU 89 Cb 0.36 -3.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.16 1vlm n GLU 89 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1vlm n SER 90 N -2.70 0.85 -4.22 1.62 3.41 0.08 -4.51 113.62 108.15 1vlm n SER 90 Ca -0.24 -0.93 -0.20 0.00 -0.26 0.00 0.00 58.87 57.23 1vlm n SER 90 Cb 0.65 0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.60 1vlm n SER 90 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1vlm s PHE 91 N -0.13 1.45 -0.00 7.33 0.08 -0.84 -4.96 117.98 120.91 1vlm s PHE 91 Ca 0.00 -0.45 0.11 0.00 0.12 0.00 0.00 56.93 56.71 1vlm s PHE 91 Cb 0.00 -0.80 -0.22 0.00 -0.57 0.00 0.00 43.02 41.43 1vlm s PHE 91 CO 0.00 0.12 0.84 -0.44 -0.10 0.00 0.00 175.22 175.64 1vlm h ASP 92 N 4.16 0.00 -5.08 1.36 3.32 -1.09 0.01 116.42 119.10 1vlm h ASP 92 Ca -0.43 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 1vlm h ASP 92 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 1vlm h ASP 92 CO 0.41 0.99 -0.16 0.72 -1.72 0.00 0.00 179.24 179.47 1vlm s PHE 93 N -2.64 -0.14 0.02 4.55 -0.71 -0.93 -1.53 117.98 116.59 1vlm s PHE 93 Ca -0.03 -0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.81 1vlm s PHE 93 Cb 0.09 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 1vlm s PHE 93 CO 0.82 -0.61 -0.13 0.00 -1.34 0.00 0.00 175.22 173.96 1vlm s ALA 94 N -3.28 1.10 0.24 1.99 0.00 -0.13 -1.73 121.76 119.95 1vlm s ALA 94 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1vlm s ALA 94 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1vlm s ALA 94 CO -0.08 0.23 0.03 -0.11 0.00 0.00 0.00 175.76 175.83 1vlm n LEU 95 N 2.29 0.00 0.00 0.00 7.94 -0.06 -0.71 117.00 126.46 1vlm n LEU 95 Ca -0.16 -1.65 0.00 0.00 -1.11 0.00 0.00 56.01 53.09 1vlm n LEU 95 Cb 0.55 0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.83 1vlm n LEU 95 CO 0.24 -0.24 0.00 0.52 -1.11 0.00 0.00 177.39 176.79 1vlm n VAL 97 N -0.59 0.00 -3.99 1.96 0.31 -1.26 -0.78 118.33 113.98 1vlm n VAL 97 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 1vlm n VAL 97 Cb 0.33 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.25 1vlm n VAL 97 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1vlm n THR 98 N 0.00 -3.28 0.00 2.52 -2.24 -0.40 -4.88 114.28 106.00 1vlm n THR 98 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1vlm n THR 98 Cb 0.00 -2.66 0.00 0.00 -2.10 0.00 0.00 70.33 65.57 1vlm n THR 98 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1vlm n THR 99 N -4.60 0.00 0.20 4.28 -1.04 -1.26 -4.79 114.28 107.07 1vlm n THR 99 Ca -0.20 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1vlm n THR 99 Cb 0.62 -1.22 0.68 0.00 -1.82 0.00 0.00 70.33 68.59 1vlm n THR 99 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1vlm h ILE 100 N 0.00 0.88 0.00 12.58 6.09 -1.91 0.13 117.51 135.28 1vlm h ILE 100 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1vlm h ILE 100 Cb 0.94 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1vlm h ILE 100 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1vlm n PHE 102 N -2.58 0.00 -1.60 0.00 3.72 0.41 -0.84 117.46 116.56 1vlm n PHE 102 Ca -0.01 -0.08 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 1vlm n PHE 102 Cb 0.14 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1vlm n PHE 102 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1vlm s VAL 103 N -0.17 4.04 0.20 -4.37 -7.23 -0.94 -3.84 120.40 108.10 1vlm s VAL 103 Ca 0.00 0.68 0.07 0.00 -1.81 0.00 0.00 61.98 60.91 1vlm s VAL 103 Cb 0.00 -3.42 -0.11 0.00 0.56 0.00 0.00 36.38 33.42 1vlm s VAL 103 CO 0.00 -0.86 1.46 0.44 -0.31 0.00 0.00 175.10 175.84 1vlm h ASP 104 N -0.66 0.09 -2.59 4.85 3.32 -1.94 -3.42 116.42 116.07 1vlm h ASP 104 Ca -0.44 -0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.00 1vlm h ASP 104 Cb 1.21 -0.03 -0.39 0.00 0.22 0.00 0.00 39.33 40.35 1vlm h ASP 104 CO 0.57 0.83 -0.80 -0.62 -1.72 0.00 0.00 179.24 177.50 1vlm s ASP 105 N -6.84 2.99 0.41 6.45 -1.08 -1.26 -5.02 116.67 112.31 1vlm s ASP 105 Ca -0.01 -1.76 0.09 0.00 -0.52 0.00 0.00 52.55 50.35 1vlm s ASP 105 Cb 0.11 -0.27 0.89 0.00 -1.46 0.00 0.00 42.92 42.19 1vlm s ASP 105 CO 0.80 -0.36 2.00 -0.65 0.52 0.00 0.00 175.17 177.48 1vlm h PRO 106 N 7.58 0.54 -0.07 4.34 0.11 -1.85 -1.02 132.00 141.64 1vlm h PRO 106 Ca -0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1vlm h PRO 106 Cb 0.99 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1vlm h PRO 106 CO 0.32 0.36 -0.02 0.93 -0.21 0.00 0.00 178.00 179.38 1vlm h GLU 107 N 0.56 0.13 -0.75 1.05 3.07 -1.97 -1.67 114.58 115.01 1vlm h GLU 107 Ca 0.24 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 59.12 1vlm h GLU 107 Cb 0.25 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 1vlm h GLU 107 CO -0.07 0.47 0.43 -0.09 -1.40 0.00 0.00 179.01 178.36 1vlm h ARG 108 N -0.22 0.76 -0.31 2.33 9.65 -1.93 -1.52 114.38 123.15 1vlm h ARG 108 Ca 0.02 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 1vlm h ARG 108 Cb 0.43 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 1vlm h ARG 108 CO 0.01 0.50 -0.05 0.00 2.80 0.00 0.00 179.97 183.23 1vlm h ALA 109 N 1.38 1.35 -0.02 2.80 0.00 -0.96 -0.20 119.26 123.61 1vlm h ALA 109 Ca 0.34 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1vlm h ALA 109 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1vlm h ALA 109 CO -0.19 0.45 -0.87 -0.07 0.00 0.00 0.00 179.25 178.56 1vlm h LEU 110 N 0.46 0.47 -0.96 0.00 3.38 -0.99 -2.47 115.31 115.20 1vlm h LEU 110 Ca 0.10 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1vlm h LEU 110 Cb 0.38 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1vlm h LEU 110 CO 0.02 1.14 0.22 0.11 0.09 0.00 0.00 178.44 180.02 1vlm h LYS 111 N 0.22 0.98 -0.60 1.13 1.57 -0.90 -1.25 116.57 117.72 1vlm h LYS 111 Ca -0.06 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1vlm h LYS 111 Cb 1.49 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1vlm h LYS 111 CO 0.15 0.82 0.01 0.93 -0.57 0.00 0.00 179.45 180.79 1vlm h GLU 112 N 0.95 1.04 -0.62 3.15 4.39 -1.01 -1.81 114.58 120.66 1vlm h GLU 112 Ca 0.22 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1vlm h GLU 112 Cb 0.24 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1vlm h GLU 112 CO -0.01 1.01 0.22 0.00 -1.16 0.00 0.00 179.01 179.06 1vlm h ALA 113 N 1.05 0.81 -0.88 3.43 0.00 -1.23 -2.44 119.26 119.99 1vlm h ALA 113 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1vlm h ALA 113 Cb 0.54 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1vlm h ALA 113 CO 0.03 0.46 0.56 -0.92 0.00 0.00 0.00 179.25 179.38 1vlm h TYR 114 N 0.89 1.05 -0.38 0.00 5.03 -0.96 -2.93 116.97 119.66 1vlm h TYR 114 Ca 0.20 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1vlm h TYR 114 Cb 0.26 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1vlm h TYR 114 CO 0.02 0.57 0.17 -0.09 -1.32 0.00 0.00 178.16 177.51 1vlm h ARG 115 N 1.06 0.56 0.00 1.82 2.43 -0.88 -2.99 114.38 116.37 1vlm h ARG 115 Ca 0.37 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1vlm h ARG 115 Cb 0.09 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1vlm h ARG 115 CO -0.15 0.51 -0.01 0.44 -1.51 0.00 0.00 179.97 179.26 1vlm n ILE 116 N -4.69 0.07 -3.15 1.20 -6.64 -0.98 -1.77 119.36 103.41 1vlm n ILE 116 Ca -0.00 -0.03 -0.36 0.00 -1.77 0.00 0.00 62.75 60.58 1vlm n ILE 116 Cb 0.12 -0.49 -0.06 0.00 -1.44 0.00 0.00 39.64 37.77 1vlm n ILE 116 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 1vlm s LEU 117 N -3.18 4.36 0.70 7.28 1.43 -1.12 -0.74 118.68 127.41 1vlm s LEU 117 Ca 0.14 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 54.47 1vlm s LEU 117 Cb 0.18 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.93 1vlm s LEU 117 CO 0.54 0.06 1.09 -0.54 0.23 0.00 0.00 176.35 177.73 1vlm s LYS 118 N -1.91 2.65 0.16 1.70 1.02 -0.01 -3.94 119.74 119.42 1vlm s LYS 118 Ca 0.41 1.24 -0.33 0.00 0.02 0.00 0.00 55.97 57.31 1vlm s LYS 118 Cb -0.17 -1.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1vlm s LYS 118 CO 0.21 -1.35 1.68 1.63 -0.92 0.00 0.00 175.35 176.60 1vlm n LYS 119 N -2.90 2.48 -0.43 1.68 4.01 -1.26 -0.61 118.16 121.13 1vlm n LYS 119 Ca 0.09 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.79 1vlm n LYS 119 Cb 0.53 -2.72 0.00 0.00 -0.51 0.00 0.00 35.03 32.33 1vlm n LYS 119 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vlm n GLY 120 N 3.79 0.89 3.80 0.72 0.00 0.29 -5.02 105.19 109.66 1vlm n GLY 120 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1vlm n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vlm s GLY 121 N -1.60 1.58 0.03 -0.02 0.00 0.22 -4.73 107.32 102.80 1vlm s GLY 121 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.28 1vlm s GLY 121 CO 0.00 0.04 -0.18 -0.19 0.00 0.00 0.00 173.10 172.77 1vlm s TYR 122 N -3.29 1.57 -0.19 1.90 2.02 -0.58 -0.68 117.35 118.09 1vlm s TYR 122 Ca 0.63 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1vlm s TYR 122 Cb -0.14 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1vlm s TYR 122 CO 0.53 0.05 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.33 1vlm s LEU 123 N -0.97 2.93 -0.23 -1.29 2.96 -0.47 -0.96 118.68 120.66 1vlm s LEU 123 Ca 0.06 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1vlm s LEU 123 Cb -0.08 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1vlm s LEU 123 CO 0.01 0.05 0.02 -0.63 -1.32 0.00 0.00 176.35 174.49 1vlm s ILE 124 N 1.05 3.97 -0.14 6.68 1.09 0.11 -0.87 121.20 133.10 1vlm s ILE 124 Ca 0.01 -0.29 0.02 0.00 -1.10 0.00 0.00 60.65 59.29 1vlm s ILE 124 Cb -0.15 -2.83 0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1vlm s ILE 124 CO -0.00 0.38 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.31 1vlm s VAL 125 N 1.46 2.12 -0.15 2.92 1.01 0.16 -4.23 120.40 123.69 1vlm s VAL 125 Ca 0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1vlm s VAL 125 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1vlm s VAL 125 CO 0.01 0.55 -0.03 -0.83 0.00 0.00 0.00 175.10 174.80 1vlm s GLY 126 N 0.78 1.74 0.04 4.51 0.00 -1.26 -1.23 107.32 111.90 1vlm s GLY 126 Ca -0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 1vlm s GLY 126 CO -0.01 -0.11 -0.03 -0.26 0.00 0.00 0.00 173.10 172.68 1vlm s ILE 127 N 0.25 0.22 -0.27 0.90 -4.36 -0.36 -1.28 121.20 116.30 1vlm s ILE 127 Ca -0.02 -1.41 -0.29 0.00 -0.26 0.00 0.00 60.65 58.67 1vlm s ILE 127 Cb -0.14 -0.97 0.01 0.00 1.25 0.00 0.00 42.46 42.62 1vlm s ILE 127 CO 0.03 -0.76 1.04 -0.69 0.24 0.00 0.00 174.94 174.80 1vlm s VAL 128 N -2.76 4.61 -0.13 8.37 1.01 -1.26 -0.44 120.40 129.81 1vlm s VAL 128 Ca -0.03 1.86 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 1vlm s VAL 128 Cb -0.00 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1vlm s VAL 128 CO -0.05 -0.31 1.75 -0.62 0.00 0.00 0.00 175.10 175.86 1vlm s ASP 129 N 1.42 6.38 0.33 3.32 -1.08 -0.10 -4.57 116.67 122.37 1vlm s ASP 129 Ca 0.44 2.01 0.12 0.00 -0.52 0.00 0.00 52.55 54.60 1vlm s ASP 129 Cb -0.14 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 39.81 1vlm s ASP 129 CO 0.10 -1.19 1.65 -0.09 0.52 0.00 0.00 175.17 176.16 1vlm h ARG 130 N 10.79 0.28 -2.44 4.34 2.43 -1.28 -1.96 114.38 126.52 1vlm h ARG 130 Ca -0.39 -0.02 -0.71 0.00 -0.81 0.00 0.00 59.98 58.06 1vlm h ARG 130 Cb 1.18 -0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.52 1vlm h ARG 130 CO 0.97 0.18 1.85 0.39 -1.51 0.00 0.00 179.97 181.85 1vlm n GLU 131 N -5.10 4.27 -4.18 0.20 -0.58 -1.26 -2.57 120.64 111.41 1vlm n GLU 131 Ca 0.30 -3.41 -0.11 0.00 -0.42 0.00 0.00 57.16 53.51 1vlm n GLU 131 Cb 0.93 -2.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.18 1vlm n GLU 131 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1vlm s SER 132 N 0.12 0.75 0.27 1.62 1.04 -0.74 -4.92 113.70 111.84 1vlm s SER 132 Ca 0.53 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 1vlm s SER 132 Cb 0.23 0.20 0.57 0.00 0.10 0.00 0.00 66.02 67.12 1vlm s SER 132 CO -0.13 -0.64 1.74 2.19 0.98 0.00 0.00 173.24 177.38 1vlm h PHE 133 N 2.82 0.68 0.17 5.02 -0.00 -1.90 0.10 116.94 123.84 1vlm h PHE 133 Ca -0.36 0.04 -0.31 0.00 -0.00 0.00 0.00 57.97 57.34 1vlm h PHE 133 Cb 1.19 -0.17 0.03 0.00 -0.00 0.00 0.00 35.95 37.00 1vlm h PHE 133 CO 0.49 0.09 -1.33 1.25 -0.00 0.00 0.00 178.31 178.81 1vlm h LEU 134 N 0.52 0.79 -0.30 2.10 5.85 -1.93 -2.85 115.31 119.49 1vlm h LEU 134 Ca 0.48 -0.78 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1vlm h LEU 134 Cb 0.76 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1vlm h LEU 134 CO -0.42 1.60 0.12 1.23 -0.34 0.00 0.00 178.44 180.63 1vlm h GLY 135 N 0.48 0.39 0.59 3.75 0.00 -1.54 -1.51 103.07 105.22 1vlm h GLY 135 Ca -0.20 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.14 1vlm h GLY 135 CO 0.25 0.05 0.59 3.21 0.00 0.00 0.00 176.54 180.64 1vlm h ARG 136 N 0.26 0.98 -0.18 4.80 3.08 -0.54 0.72 114.38 123.51 1vlm h ARG 136 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1vlm h ARG 136 Cb 0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1vlm h ARG 136 CO -0.12 0.65 0.04 1.49 -1.07 0.00 0.00 179.97 180.96 1vlm h GLU 137 N 1.01 0.29 -0.71 0.04 4.81 -1.23 0.14 114.58 118.94 1vlm h GLU 137 Ca 0.44 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1vlm h GLU 137 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1vlm h GLU 137 CO -0.22 0.43 0.19 1.88 -0.73 0.00 0.00 179.01 180.55 1vlm h TYR 138 N 0.10 1.16 -0.09 0.92 0.05 -0.91 -1.35 116.97 116.86 1vlm h TYR 138 Ca 0.06 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1vlm h TYR 138 Cb 0.27 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1vlm h TYR 138 CO 0.01 0.94 -0.16 1.49 -1.05 0.00 0.00 178.16 179.38 1vlm h GLU 139 N 1.06 0.27 -0.91 4.88 4.81 -0.72 -1.91 114.58 122.06 1vlm h GLU 139 Ca 0.22 -0.17 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1vlm h GLU 139 Cb 0.35 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 1vlm h GLU 139 CO -0.00 0.75 0.59 0.87 -0.73 0.00 0.00 179.01 180.49 1vlm h LYS 140 N -0.19 0.96 -0.64 1.92 1.57 -0.64 -2.26 116.57 117.29 1vlm h LYS 140 Ca 0.00 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1vlm h LYS 140 Cb 0.74 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1vlm h LYS 140 CO 0.04 0.64 0.10 0.09 -0.57 0.00 0.00 179.45 179.74 1vlm n ASN 141 N -4.51 5.45 0.06 0.86 3.02 -0.52 -4.64 115.26 114.98 1vlm n ASN 141 Ca 0.15 -3.04 -0.13 0.00 -0.03 0.00 0.00 54.58 51.53 1vlm n ASN 141 Cb 0.24 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 1vlm n ASN 141 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1vlm h LYS 142 N 3.54 -0.08 0.00 3.52 2.10 -0.72 0.03 116.57 124.96 1vlm h LYS 142 Ca 0.10 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1vlm h LYS 142 Cb 2.12 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1vlm h LYS 142 CO 0.59 0.05 0.41 0.93 -2.00 0.00 0.00 179.45 179.43 1vlm h GLU 143 N -0.20 0.00 -0.85 0.07 5.08 -1.83 -3.18 114.58 113.68 1vlm h GLU 143 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1vlm h GLU 143 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1vlm h GLU 143 CO 0.01 0.00 0.04 1.63 -1.00 0.00 0.00 179.01 179.69 1vlm n LYS 144 N -2.65 2.50 -0.02 2.33 5.02 -0.01 -4.96 118.16 120.38 1vlm n LYS 144 Ca -0.02 -1.32 -0.06 0.00 -2.02 0.00 0.00 58.31 54.90 1vlm n LYS 144 Cb 0.44 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1vlm n LYS 144 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vlm n VAL 146 N 0.20 1.02 0.17 -0.18 0.31 -1.26 -5.05 118.33 113.55 1vlm n VAL 146 Ca 0.13 0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.64 1vlm n VAL 146 Cb 0.69 -1.76 0.31 0.00 -0.91 0.00 0.00 33.84 32.17 1vlm n VAL 146 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1vlm h PHE 147 N -0.33 0.00 0.00 3.52 0.04 -1.96 -3.35 116.94 114.86 1vlm h PHE 147 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1vlm h PHE 147 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1vlm h PHE 147 CO -0.10 0.45 -0.90 0.66 -0.60 0.00 0.00 178.31 177.82 1vlm n TYR 148 N -3.78 0.00 -0.34 -0.55 4.01 -1.26 -4.17 117.16 111.07 1vlm n TYR 148 Ca -0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.90 1vlm n TYR 148 Cb 0.50 -0.01 0.37 0.00 -0.31 0.00 0.00 39.34 39.89 1vlm n TYR 148 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1vlm h LYS 149 N 0.00 0.53 -0.12 -0.72 6.56 -1.69 -2.14 116.57 118.99 1vlm h LYS 149 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1vlm h LYS 149 Cb 0.45 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1vlm h LYS 149 CO 0.00 0.35 0.00 0.09 -2.06 0.00 0.00 179.45 177.83 1vlm n ASN 150 N -4.92 2.11 -4.73 0.86 3.02 -1.26 -4.80 115.26 105.55 1vlm n ASN 150 Ca 0.26 -1.65 -0.35 0.00 -0.03 0.00 0.00 54.58 52.80 1vlm n ASN 150 Cb 0.73 -0.08 0.08 0.00 -0.61 0.00 0.00 39.78 39.90 1vlm n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vlm s ALA 151 N -0.80 2.21 -0.18 5.41 0.00 -0.81 -4.98 121.76 122.61 1vlm s ALA 151 Ca 0.12 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 1vlm s ALA 151 Cb 0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1vlm s ALA 151 CO 0.10 -1.76 0.01 0.50 0.00 0.00 0.00 175.76 174.61 1vlm s ARG 152 N -3.71 3.73 -0.04 0.00 3.52 -0.02 -5.04 118.95 117.39 1vlm s ARG 152 Ca 0.77 -0.47 -0.10 0.00 -0.13 0.00 0.00 55.73 55.80 1vlm s ARG 152 Cb -0.32 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1vlm s ARG 152 CO 0.43 0.16 0.28 -0.06 -0.81 0.00 0.00 175.30 175.30 1vlm s PHE 153 N 0.62 3.64 0.00 5.12 0.40 -1.26 -4.39 117.98 122.11 1vlm s PHE 153 Ca -0.00 0.73 0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1vlm s PHE 153 Cb -0.14 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1vlm s PHE 153 CO 0.02 0.67 -0.22 -0.06 0.70 0.00 0.00 175.22 176.33 1vlm s PHE 154 N -1.12 2.45 0.66 0.36 0.08 -1.26 -4.93 117.98 114.21 1vlm s PHE 154 Ca 0.22 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1vlm s PHE 154 Cb -0.14 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1vlm s PHE 154 CO 0.11 0.10 1.05 -1.54 -0.10 0.00 0.00 175.22 174.84 1vlm s SER 155 N -0.94 5.88 0.16 1.36 1.04 -1.26 -0.77 113.70 119.17 1vlm s SER 155 Ca 0.12 1.35 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 1vlm s SER 155 Cb -0.10 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.77 1vlm s SER 155 CO 0.01 -1.09 1.79 0.74 0.98 0.00 0.00 173.24 175.67 1vlm h THR 156 N -0.48 1.01 -0.34 2.02 2.02 -1.95 -1.72 112.91 113.48 1vlm h THR 156 Ca -0.44 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 1vlm h THR 156 Cb 1.21 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1vlm h THR 156 CO 0.62 0.08 -0.30 -0.33 0.37 0.00 0.00 175.52 175.96 1vlm h GLU 157 N 0.45 0.72 -0.30 6.66 5.08 -2.04 -2.74 114.58 122.41 1vlm h GLU 157 Ca 0.17 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1vlm h GLU 157 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1vlm h GLU 157 CO -0.10 0.93 0.17 1.49 -1.00 0.00 0.00 179.01 180.51 1vlm h GLU 158 N 0.61 0.42 -1.38 2.33 4.81 -1.93 -1.35 114.58 118.09 1vlm h GLU 158 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1vlm h GLU 158 Cb 0.81 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1vlm h GLU 158 CO 0.07 0.34 0.00 -0.11 -0.73 0.00 0.00 179.01 178.58 1vlm n LEU 159 N -4.82 0.38 0.00 1.64 7.94 -0.66 -2.04 117.00 119.44 1vlm n LEU 159 Ca -0.02 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 1vlm n LEU 159 Cb 0.07 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1vlm n LEU 159 CO 0.35 0.07 0.00 -0.67 -1.11 0.00 0.00 177.39 176.03 1vlm n ASP 161 N 0.79 0.00 -0.69 1.96 -0.08 -0.51 -4.62 116.55 113.39 1vlm n ASP 161 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1vlm n ASP 161 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1vlm n ASP 161 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1vlm n LEU 162 N 0.00 0.41 0.00 -2.67 4.77 -0.87 -1.23 117.00 117.41 1vlm n LEU 162 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1vlm n LEU 162 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1vlm n LEU 162 CO 0.00 0.08 0.00 -1.14 -1.33 0.00 0.00 177.39 175.00 1vlm n ARG 164 N 0.58 0.00 0.26 3.23 0.63 -1.26 -1.13 116.66 118.97 1vlm n ARG 164 Ca 0.00 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.08 1vlm n ARG 164 Cb 0.08 0.00 0.69 0.00 0.45 0.00 0.00 32.46 33.68 1vlm n ARG 164 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1vlm h LYS 165 N 0.00 0.00 -0.00 -0.14 1.57 -1.48 -1.64 116.57 114.88 1vlm h LYS 165 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vlm h LYS 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1vlm h LYS 165 CO 0.00 0.09 -0.10 0.00 -0.57 0.00 0.00 179.45 178.87 1vlm n ALA 166 N -2.17 2.68 0.00 3.86 0.00 -0.28 -4.93 120.51 119.67 1vlm n ALA 166 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1vlm n ALA 166 Cb 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1vlm n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vlm n GLY 167 N 1.35 0.96 3.87 0.00 0.00 -0.62 -4.81 105.19 105.94 1vlm n GLY 167 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1vlm n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vlm s PHE 168 N -2.00 3.47 0.29 1.61 0.08 -1.25 -4.63 117.98 115.55 1vlm s PHE 168 Ca 0.00 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.22 1vlm s PHE 168 Cb 0.00 -2.54 -0.00 0.00 -0.57 0.00 0.00 43.02 39.91 1vlm s PHE 168 CO 0.00 -0.19 0.37 0.39 -0.10 0.00 0.00 175.22 175.69 1vlm n GLU 169 N -1.41 0.53 -3.80 0.44 1.02 -0.29 -4.13 120.64 113.00 1vlm n GLU 169 Ca 0.04 -2.49 -0.32 0.00 -0.02 0.00 0.00 57.16 54.36 1vlm n GLU 169 Cb 0.54 2.29 0.03 0.00 -0.02 0.00 0.00 31.44 34.28 1vlm n GLU 169 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1vlm n GLU 170 N -0.50 -1.58 -2.37 3.49 1.02 -1.26 0.16 120.64 119.61 1vlm n GLU 170 Ca 0.02 0.39 -0.38 0.00 -0.02 0.00 0.00 57.16 57.18 1vlm n GLU 170 Cb 0.50 -4.00 -0.02 0.00 -0.02 0.00 0.00 31.44 27.90 1vlm n GLU 170 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1vlm s PHE 171 N -3.59 3.11 -0.04 -0.32 0.08 -1.26 -4.37 117.98 111.58 1vlm s PHE 171 Ca 0.37 1.58 0.03 0.00 0.12 0.00 0.00 56.93 59.02 1vlm s PHE 171 Cb -0.14 -3.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.00 1vlm s PHE 171 CO 0.88 -1.13 -0.11 0.15 -0.10 0.00 0.00 175.22 174.92 1vlm s LYS 172 N -2.40 1.27 -0.02 0.44 1.02 -0.73 -4.98 119.74 114.35 1vlm s LYS 172 Ca 0.58 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 56.25 1vlm s LYS 172 Cb -0.28 -1.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1vlm s LYS 172 CO 0.35 0.10 -0.15 0.08 -0.92 0.00 0.00 175.35 174.80 1vlm s VAL 173 N 0.35 1.23 0.23 3.17 1.01 -1.26 -0.68 120.40 124.45 1vlm s VAL 173 Ca -0.07 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1vlm s VAL 173 Cb -0.11 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1vlm s VAL 173 CO 0.02 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 176.06 1vlm s VAL 174 N -0.29 1.53 0.05 2.92 -7.23 -0.29 -1.07 120.40 116.03 1vlm s VAL 174 Ca 0.04 -2.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 1vlm s VAL 174 Cb -0.07 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1vlm s VAL 174 CO -0.00 -0.46 0.06 0.00 -0.31 0.00 0.00 175.10 174.39 1vlm s GLN 175 N -3.72 0.62 0.16 4.82 -2.07 0.56 -1.26 119.66 118.77 1vlm s GLN 175 Ca 0.25 -0.93 -0.05 0.00 -1.82 0.00 0.00 55.36 52.81 1vlm s GLN 175 Cb 0.02 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.20 1vlm s GLN 175 CO 0.08 -0.15 0.31 -2.37 -1.32 0.00 0.00 175.29 171.85 1vlm n THR 176 N 0.48 0.00 -2.92 3.63 5.66 -0.37 -1.19 114.28 119.58 1vlm n THR 176 Ca -0.17 -0.47 -0.04 0.00 -3.05 0.00 0.00 64.05 60.32 1vlm n THR 176 Cb 0.60 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 1vlm n THR 176 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1vlm n LEU 177 N 0.00 -7.18 0.03 1.09 4.77 -1.26 -1.60 117.00 112.84 1vlm n LEU 177 Ca -0.03 0.20 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1vlm n LEU 177 Cb 0.25 -3.29 -0.08 0.00 -2.33 0.00 0.00 43.42 37.96 1vlm n LEU 177 CO 0.12 -1.65 -0.32 0.49 -1.33 0.00 0.00 177.39 174.70 1vlm n PHE 178 N -1.09 0.91 -3.75 -1.77 3.72 -1.26 -1.30 117.46 112.92 1vlm n PHE 178 Ca 0.05 0.30 -0.20 0.00 -0.05 0.00 0.00 57.45 57.55 1vlm n PHE 178 Cb 0.48 -1.06 -0.02 0.00 -0.94 0.00 0.00 39.48 37.94 1vlm n PHE 178 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1vlm s LYS 179 N -2.96 3.02 0.29 -1.08 1.02 -1.26 -4.96 119.74 113.81 1vlm s LYS 179 Ca -0.03 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.60 1vlm s LYS 179 Cb 0.09 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 1vlm s LYS 179 CO 0.81 0.18 1.21 -1.58 -0.92 0.00 0.00 175.35 175.06 1vlm s HIS 180 N -2.18 3.31 0.43 3.18 5.65 -1.26 -4.92 115.29 119.50 1vlm s HIS 180 Ca 0.40 1.52 0.15 0.00 0.25 0.00 0.00 55.06 57.38 1vlm s HIS 180 Cb -0.08 -3.49 1.04 0.00 -1.18 0.00 0.00 32.58 28.87 1vlm s HIS 180 CO 0.28 -1.27 1.94 -1.35 -0.65 0.00 0.00 174.74 173.70 1vlm h PRO 181 N 3.85 0.40 0.00 2.88 0.11 -1.98 -1.41 132.00 135.85 1vlm h PRO 181 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vlm h PRO 181 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vlm h PRO 181 CO 0.68 0.27 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 1vlm h SER 182 N 0.42 0.00 -0.22 -2.05 4.64 -1.95 -3.05 113.55 111.33 1vlm h SER 182 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1vlm h SER 182 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1vlm h SER 182 CO -0.10 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.02 1vlm n GLU 183 N -2.34 2.66 -2.98 4.77 0.28 -0.53 -4.99 120.64 117.50 1vlm n GLU 183 Ca 0.01 -2.53 -0.40 0.00 -0.16 0.00 0.00 57.16 54.08 1vlm n GLU 183 Cb 0.18 -1.60 -0.04 0.00 1.43 0.00 0.00 31.44 31.40 1vlm n GLU 183 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1vlm s LEU 184 N -2.30 4.28 0.00 -1.84 1.43 -1.15 -4.91 118.68 114.19 1vlm s LEU 184 Ca 0.33 1.21 0.09 0.00 -1.03 0.00 0.00 54.13 54.74 1vlm s LEU 184 Cb 0.26 -3.16 0.20 0.00 0.03 0.00 0.00 46.19 43.52 1vlm s LEU 184 CO 0.09 -0.21 1.08 -1.54 0.23 0.00 0.00 176.35 176.00 1vlm n SER 185 N 4.21 2.46 -3.64 2.29 3.41 -1.26 -4.83 113.62 116.26 1vlm n SER 185 Ca 0.01 -1.80 -0.09 0.00 -0.26 0.00 0.00 58.87 56.73 1vlm n SER 185 Cb 0.51 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1vlm n SER 185 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1vlm s GLU 186 N -0.93 1.43 0.41 4.33 -1.05 -1.26 -5.09 118.70 116.53 1vlm s GLU 186 Ca 0.17 -0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 54.04 1vlm s GLU 186 Cb 0.10 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.25 1vlm s GLU 186 CO 0.13 -0.64 1.46 0.96 0.95 0.00 0.00 175.26 178.12 1vlm s ILE 187 N -3.71 2.06 0.25 1.83 -4.36 -1.26 -4.85 121.20 111.17 1vlm s ILE 187 Ca 0.07 0.05 -0.19 0.00 -0.26 0.00 0.00 60.65 60.32 1vlm s ILE 187 Cb -0.03 -3.03 -0.09 0.00 1.25 0.00 0.00 42.46 40.56 1vlm s ILE 187 CO -0.03 0.01 0.75 -1.61 0.24 0.00 0.00 174.94 174.30 1vlm s GLU 188 N -2.24 4.23 0.75 0.37 0.41 -1.26 -5.05 118.70 115.91 1vlm s GLU 188 Ca 0.56 0.88 -0.12 0.00 -0.41 0.00 0.00 54.97 55.88 1vlm s GLU 188 Cb -0.45 -2.77 0.04 0.00 -1.78 0.00 0.00 34.13 29.17 1vlm s GLU 188 CO 0.60 0.33 1.10 -1.25 -0.49 0.00 0.00 175.26 175.55 1vlm s PRO 189 N -2.20 2.37 -0.12 0.39 0.04 -1.26 -4.80 135.00 129.42 1vlm s PRO 189 Ca 0.46 1.24 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1vlm s PRO 189 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1vlm s PRO 189 CO 0.20 -1.57 0.13 0.08 0.04 0.00 0.00 177.00 175.88 1vlm s VAL 190 N -2.75 5.39 0.15 -0.36 1.01 -1.26 -4.49 120.40 118.09 1vlm s VAL 190 Ca 0.63 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.82 1vlm s VAL 190 Cb -0.18 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1vlm s VAL 190 CO 0.52 0.61 -0.11 -0.54 0.00 0.00 0.00 175.10 175.59 1vlm s LYS 191 N -0.99 1.07 0.63 2.72 1.02 -0.33 -4.97 119.74 118.90 1vlm s LYS 191 Ca 0.15 -1.42 -0.17 0.00 0.02 0.00 0.00 55.97 54.55 1vlm s LYS 191 Cb -0.12 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 36.45 1vlm s LYS 191 CO 0.04 0.10 1.15 -1.83 -0.92 0.00 0.00 175.35 173.89 1vlm s GLU 192 N -3.50 2.86 0.71 1.68 -1.05 -1.26 -0.33 118.70 117.82 1vlm s GLU 192 Ca 0.15 1.58 0.00 0.00 -0.15 0.00 0.00 54.97 56.55 1vlm s GLU 192 Cb 0.01 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.75 1vlm s GLU 192 CO 0.02 -1.24 0.00 0.41 0.95 0.00 0.00 175.26 175.40 1vlm n GLY 193 N -0.04 -1.77 3.75 -3.83 0.00 -0.23 -4.66 105.19 98.41 1vlm n GLY 193 Ca 0.12 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 1vlm n GLY 193 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vlm s TYR 194 N 0.00 -0.04 0.00 1.61 1.13 -1.26 -3.29 117.35 115.49 1vlm s TYR 194 Ca 0.00 -0.37 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1vlm s TYR 194 Cb 0.00 0.54 0.00 0.00 -1.10 0.00 0.00 41.96 41.40 1vlm s TYR 194 CO 0.00 -1.13 0.00 0.41 -2.51 0.00 0.00 175.55 172.32 1vlm n GLY 195 N -0.43 2.82 0.43 5.49 0.00 -1.26 -4.92 105.19 107.32 1vlm n GLY 195 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1vlm n GLY 195 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vlm n GLU 196 N -0.95 0.23 -3.52 1.61 2.13 -1.26 -4.99 120.64 113.89 1vlm n GLU 196 Ca 0.00 0.08 -0.31 0.00 0.66 0.00 0.00 57.16 57.59 1vlm n GLU 196 Cb 0.00 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 30.67 1vlm n GLU 196 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1vlm s GLY 197 N -5.09 2.15 0.26 8.31 0.00 -1.26 -4.78 107.32 106.90 1vlm s GLY 197 Ca -0.14 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.14 1vlm s GLY 197 CO 0.20 -0.38 1.62 0.00 0.00 0.00 0.00 173.10 174.54 1vlm h ALA 198 N 2.46 0.95 -3.06 3.20 0.00 -0.37 -3.43 119.26 119.01 1vlm h ALA 198 Ca -0.47 -0.48 -0.63 0.00 0.00 0.00 0.00 54.91 53.33 1vlm h ALA 198 Cb 1.17 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 1vlm h ALA 198 CO 0.70 0.66 -0.56 0.12 0.00 0.00 0.00 179.25 180.17 1vlm s PHE 199 N -3.98 3.21 -0.02 0.00 5.36 -0.63 -0.92 117.98 121.00 1vlm s PHE 199 Ca -0.05 -0.03 0.07 0.00 -0.96 0.00 0.00 56.93 55.96 1vlm s PHE 199 Cb 0.13 -2.23 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1vlm s PHE 199 CO 0.79 -0.09 -0.23 0.08 -1.46 0.00 0.00 175.22 174.31 1vlm s VAL 200 N 1.19 1.84 -0.09 3.12 1.01 0.42 -1.23 120.40 126.67 1vlm s VAL 200 Ca 0.06 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1vlm s VAL 200 Cb -0.14 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1vlm s VAL 200 CO 0.05 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 1vlm s VAL 201 N -0.55 1.63 -0.09 2.92 1.01 -0.39 -1.22 120.40 123.71 1vlm s VAL 201 Ca 0.09 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1vlm s VAL 201 Cb -0.09 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1vlm s VAL 201 CO -0.01 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 1vlm s ILE 202 N 0.57 1.65 -0.15 2.22 1.01 -0.36 -1.13 121.20 125.01 1vlm s ILE 202 Ca -0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1vlm s ILE 202 Cb -0.17 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1vlm s ILE 202 CO 0.05 0.47 -0.07 -0.60 0.00 0.00 0.00 174.94 174.79 1vlm s ARG 203 N 0.55 3.58 0.17 2.79 3.52 0.14 -0.67 118.95 129.04 1vlm s ARG 203 Ca -0.16 -0.57 0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1vlm s ARG 203 Cb -0.17 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1vlm s ARG 203 CO 0.05 0.23 -0.21 0.20 -0.81 0.00 0.00 175.30 174.77 1vlm s GLY 204 N 0.35 1.69 -0.16 8.12 0.00 -0.05 -1.77 107.32 115.51 1vlm s GLY 204 Ca -0.06 -1.56 -0.05 0.00 0.00 0.00 0.00 44.72 43.05 1vlm s GLY 204 CO 0.04 -1.57 0.00 -1.59 0.00 0.00 0.00 173.10 169.98 1vlm s THR 205 N -1.54 4.26 -0.64 0.90 2.01 0.12 -1.37 115.64 119.39 1vlm s THR 205 Ca 0.20 -0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 1vlm s THR 205 Cb -0.09 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.59 1vlm s THR 205 CO 0.10 0.49 1.07 -0.75 -0.69 0.00 0.00 174.62 174.85 1vlm s LYS 206 N 0.24 3.25 0.00 4.92 2.20 0.14 -1.14 119.74 129.36 1vlm s LYS 206 Ca -0.00 -0.36 0.32 0.00 -0.36 0.00 0.00 55.97 55.57 1vlm s LYS 206 Cb -0.13 -4.13 1.84 0.00 -1.51 0.00 0.00 37.83 33.90 1vlm s LYS 206 CO 0.02 -1.79 2.19 1.63 -0.36 0.00 0.00 175.35 177.04