#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy n MET 2 N 0.00 0.35 0.00 -1.46 0.00 -1.26 -4.07 117.12 110.68 2avy n MET 2 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.48 2avy n MET 2 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.72 2avy n MET 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2avy n GLN 3 N -1.13 0.56 -3.72 0.03 7.27 -1.26 -4.94 117.38 114.18 2avy n GLN 3 Ca 0.08 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.87 2avy n GLN 3 Cb 0.35 -0.80 -0.12 0.00 2.41 0.00 0.00 30.24 32.08 2avy n GLN 3 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2avy s ASP 4 N -3.27 3.62 0.41 1.69 -1.08 -1.26 -4.95 116.67 111.83 2avy s ASP 4 Ca 0.00 -3.46 0.18 0.00 -0.52 0.00 0.00 52.55 48.75 2avy s ASP 4 Cb 0.00 -1.20 0.91 0.00 -1.46 0.00 0.00 42.92 41.17 2avy s ASP 4 CO 0.00 -0.13 1.87 1.55 0.52 0.00 0.00 175.17 178.98 2avy h PRO 5 N 5.64 0.00 0.20 4.34 0.13 -1.93 -2.67 132.00 137.72 2avy h PRO 5 Ca 0.16 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.02 2avy h PRO 5 Cb 0.82 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.98 2avy h PRO 5 CO 0.58 0.30 -1.18 0.82 -0.23 0.00 0.00 178.00 178.30 2avy h ILE 6 N 0.00 1.38 -0.13 -3.56 1.08 -1.93 -3.16 117.51 111.18 2avy h ILE 6 Ca -0.00 -2.62 -0.03 0.00 -0.39 0.00 0.00 64.86 61.82 2avy h ILE 6 Cb 0.62 3.11 -0.01 0.00 -3.07 0.00 0.00 36.82 37.48 2avy h ILE 6 CO 0.04 0.77 -0.04 0.00 -0.69 0.00 0.00 178.15 178.22 2avy h ALA 7 N 0.11 1.69 -0.55 1.87 0.00 -1.97 -2.19 119.26 118.22 2avy h ALA 7 Ca -0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2avy h ALA 7 Cb 1.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2avy h ALA 7 CO 0.21 0.24 -0.01 0.22 0.00 0.00 0.00 179.25 179.91 2avy h ASP 8 N 0.19 0.97 -0.32 0.00 3.58 -1.54 -2.83 116.42 116.47 2avy h ASP 8 Ca 0.04 -0.31 0.07 0.00 0.42 0.00 0.00 57.03 57.25 2avy h ASP 8 Cb 0.21 -0.26 -0.08 0.00 1.72 0.00 0.00 39.33 40.92 2avy h ASP 8 CO 0.01 1.05 -0.21 -0.03 -2.88 0.00 0.00 179.24 177.17 2avy h MET 9 N 0.86 -0.17 -0.04 0.28 4.05 -1.36 0.14 114.93 118.69 2avy h MET 9 Ca 0.16 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2avy h MET 9 Cb 0.56 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 2avy h MET 9 CO 0.03 -0.11 -0.03 -0.07 0.23 0.00 0.00 176.91 176.96 2avy h LEU 10 N -0.18 -0.10 -0.33 3.39 3.38 -1.53 -1.72 115.31 118.22 2avy h LEU 10 Ca 0.16 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2avy h LEU 10 Cb 0.43 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2avy h LEU 10 CO -0.42 -0.04 0.05 0.74 0.09 0.00 0.00 178.44 178.86 2avy h THR 11 N -0.03 0.83 -0.35 0.22 2.02 -1.15 0.14 112.91 114.59 2avy h THR 11 Ca 0.03 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2avy h THR 11 Cb 0.08 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2avy h THR 11 CO -0.07 0.03 0.21 0.03 0.37 0.00 0.00 175.52 176.10 2avy h ARG 12 N 0.17 0.47 -0.05 6.66 3.08 -0.54 0.48 114.38 124.64 2avy h ARG 12 Ca 0.15 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2avy h ARG 12 Cb 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2avy h ARG 12 CO -0.21 0.33 -0.23 0.82 -1.07 0.00 0.00 179.97 179.60 2avy h ILE 13 N 0.48 1.45 -0.21 2.04 2.04 -0.31 -2.36 117.51 120.64 2avy h ILE 13 Ca 0.13 -1.68 -0.15 0.00 1.00 0.00 0.00 64.86 64.16 2avy h ILE 13 Cb -0.02 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2avy h ILE 13 CO -0.02 0.47 -0.49 0.08 0.00 0.00 0.00 178.15 178.19 2avy h ARG 14 N -0.28 0.56 -0.38 2.37 0.11 -0.35 -2.20 114.38 114.21 2avy h ARG 14 Ca -0.01 -0.33 -0.09 0.00 0.10 0.00 0.00 59.98 59.65 2avy h ARG 14 Cb 0.89 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 2avy h ARG 14 CO 0.05 0.93 -0.14 -0.91 0.10 0.00 0.00 179.97 179.99 2avy h ASN 15 N 0.45 0.68 -0.14 0.08 2.35 -0.13 -2.65 115.58 116.22 2avy h ASN 15 Ca 0.02 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2avy h ASN 15 Cb 1.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2avy h ASN 15 CO 0.09 0.84 0.02 1.23 -1.65 0.00 0.00 177.43 177.96 2avy h GLY 16 N 0.97 0.25 -0.03 2.83 0.00 -1.27 -2.97 103.07 102.85 2avy h GLY 16 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2avy h GLY 16 CO 0.04 0.15 -0.46 1.46 0.00 0.00 0.00 176.54 177.73 2avy h GLN 17 N -0.00 -0.51 -0.71 4.80 1.08 -1.23 -0.72 115.11 117.82 2avy h GLN 17 Ca 0.04 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.43 2avy h GLN 17 Cb 0.31 0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.74 2avy h GLN 17 CO 0.00 -0.34 0.04 0.00 -0.95 0.00 0.00 178.83 177.59 2avy h ALA 18 N -0.02 0.77 0.00 3.87 0.00 -1.49 0.90 119.26 123.28 2avy h ALA 18 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2avy h ALA 18 Cb 0.65 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2avy h ALA 18 CO -0.41 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.44 2avy n ALA 19 N -2.83 2.29 -2.22 0.00 0.00 -0.78 -4.82 120.51 112.15 2avy n ALA 19 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 2avy n ALA 19 Cb 0.44 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2avy n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2avy n ASN 20 N -0.42 -3.97 -4.41 0.00 4.13 0.31 -4.92 115.26 105.97 2avy n ASN 20 Ca 0.00 0.21 -0.28 0.00 1.68 0.00 0.00 54.58 56.18 2avy n ASN 20 Cb 0.03 -3.43 0.27 0.00 -1.54 0.00 0.00 39.78 35.10 2avy n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2avy n LYS 21 N -2.63 -2.73 -0.11 3.52 4.76 -0.35 -5.01 118.16 115.63 2avy n LYS 21 Ca -0.15 -0.77 -0.17 0.00 -2.87 0.00 0.00 58.31 54.35 2avy n LYS 21 Cb 0.58 -2.12 -0.06 0.00 -1.84 0.00 0.00 35.03 31.59 2avy n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2avy n ALA 22 N -5.08 0.95 -2.79 7.82 0.00 -1.26 -4.77 120.51 115.39 2avy n ALA 22 Ca 0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.45 2avy n ALA 22 Cb 0.55 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 2avy n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy s ALA 23 N -2.73 0.43 -0.05 0.00 0.00 -1.26 -0.10 121.76 118.04 2avy s ALA 23 Ca -0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 2avy s ALA 23 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2avy s ALA 23 CO 0.44 0.07 0.04 0.54 0.00 0.00 0.00 175.76 176.86 2avy s VAL 24 N -0.35 4.55 0.05 0.00 0.11 -0.43 -4.94 120.40 119.38 2avy s VAL 24 Ca -0.00 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 2avy s VAL 24 Cb -0.03 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2avy s VAL 24 CO -0.00 0.50 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.24 2avy s THR 25 N -1.02 1.11 -0.08 5.04 2.01 -1.26 -1.30 115.64 120.14 2avy s THR 25 Ca 0.17 -1.07 -0.32 0.00 0.31 0.00 0.00 61.69 60.79 2avy s THR 25 Cb -0.12 -1.02 0.13 0.00 0.01 0.00 0.00 72.50 71.50 2avy s THR 25 CO 0.07 -0.05 1.24 0.00 -0.69 0.00 0.00 174.62 175.20 2avy s MET 26 N -1.27 0.39 0.30 4.92 0.23 -1.13 -5.01 119.30 117.73 2avy s MET 26 Ca 0.01 -0.19 -0.30 0.00 -1.03 0.00 0.00 55.69 54.18 2avy s MET 26 Cb -0.08 0.15 -0.12 0.00 -1.53 0.00 0.00 34.83 33.24 2avy s MET 26 CO 0.01 -0.18 1.41 -0.35 -2.03 0.00 0.00 175.02 173.89 2avy n PRO 27 N -0.34 2.26 -1.73 3.16 -0.04 -1.26 0.60 135.00 137.66 2avy n PRO 27 Ca -0.05 0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 63.92 2avy n PRO 27 Cb 0.61 -2.46 0.21 0.00 -0.04 0.00 0.00 33.50 31.81 2avy n PRO 27 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2avy n SER 28 N 1.53 -0.24 0.00 3.54 7.64 -1.17 -4.54 113.62 120.38 2avy n SER 28 Ca 0.08 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.54 2avy n SER 28 Cb 0.35 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2avy n SER 28 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2avy n SER 29 N -3.99 0.00 -0.23 6.43 2.88 -1.26 -4.96 113.62 112.49 2avy n SER 29 Ca 0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.64 2avy n SER 29 Cb 0.57 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2avy n SER 29 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2avy h LYS 30 N 0.00 -0.15 -0.59 -1.46 1.79 -1.99 -0.15 116.57 114.02 2avy h LYS 30 Ca 0.00 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 2avy h LYS 30 Cb 0.00 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2avy h LYS 30 CO 0.00 -0.10 0.04 1.25 -1.08 0.00 0.00 179.45 179.56 2avy h LEU 31 N -0.16 0.98 0.34 2.94 5.85 -1.98 -1.90 115.31 121.38 2avy h LEU 31 Ca 0.23 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2avy h LEU 31 Cb 0.56 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2avy h LEU 31 CO -0.72 1.02 -0.30 0.11 -0.34 0.00 0.00 178.44 178.21 2avy h LYS 32 N 0.90 -0.61 -0.92 1.25 1.57 -1.47 0.20 116.57 117.49 2avy h LYS 32 Ca 0.17 0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.10 2avy h LYS 32 Cb 0.50 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 2avy h LYS 32 CO 0.02 -0.40 0.55 0.28 -0.57 0.00 0.00 179.45 179.33 2avy h VAL 33 N -0.63 0.90 -0.62 0.50 2.07 -1.17 0.33 116.25 117.63 2avy h VAL 33 Ca -0.04 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.27 2avy h VAL 33 Cb 0.54 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 2avy h VAL 33 CO -0.02 0.16 0.24 0.00 0.02 0.00 0.00 177.57 177.98 2avy h ALA 34 N 1.51 0.81 -0.21 1.67 0.00 -0.91 0.41 119.26 122.54 2avy h ALA 34 Ca 0.45 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.39 2avy h ALA 34 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2avy h ALA 34 CO -0.26 -0.18 -0.10 0.82 0.00 0.00 0.00 179.25 179.52 2avy h ILE 35 N 0.43 1.31 -0.12 0.00 2.04 0.15 -2.82 117.51 118.50 2avy h ILE 35 Ca 0.32 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2avy h ILE 35 Cb 0.39 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2avy h ILE 35 CO -0.31 0.36 0.11 0.00 0.00 0.00 0.00 178.15 178.31 2avy h ALA 36 N 0.70 1.81 -0.31 1.87 0.00 0.78 -1.34 119.26 122.78 2avy h ALA 36 Ca 0.05 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2avy h ALA 36 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2avy h ALA 36 CO 0.03 -0.17 -0.44 -0.97 0.00 0.00 0.00 179.25 177.71 2avy h ASN 37 N 0.00 0.86 0.61 0.00 -0.00 0.02 -3.08 115.58 113.99 2avy h ASN 37 Ca 0.05 -0.41 -0.03 0.00 -0.00 0.00 0.00 56.30 55.92 2avy h ASN 37 Cb 0.28 -0.24 0.01 0.00 -0.00 0.00 0.00 38.32 38.36 2avy h ASN 37 CO -0.00 1.17 -0.29 0.58 -0.00 0.00 0.00 177.43 178.89 2avy h VAL 38 N 0.64 0.33 -0.24 2.57 2.07 -1.20 -2.68 116.25 117.73 2avy h VAL 38 Ca 0.04 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2avy h VAL 38 Cb 1.00 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2avy h VAL 38 CO 0.10 0.03 0.40 -0.07 0.02 0.00 0.00 177.57 178.05 2avy h LEU 39 N -0.97 0.00 0.44 2.57 4.07 -1.61 -1.49 115.31 118.32 2avy h LEU 39 Ca -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2avy h LEU 39 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2avy h LEU 39 CO 0.14 0.00 -0.21 0.50 -1.08 0.00 0.00 178.44 177.79 2avy h LYS 40 N 0.00 -0.57 -0.69 1.13 3.64 -1.38 0.25 116.57 118.94 2avy h LYS 40 Ca 0.12 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 2avy h LYS 40 Cb 0.92 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 2avy h LYS 40 CO -0.00 -0.38 0.47 1.49 -2.27 0.00 0.00 179.45 178.76 2avy h GLU 41 N -0.73 0.33 0.00 1.90 4.57 -1.36 0.30 114.58 119.59 2avy h GLU 41 Ca -0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2avy h GLU 41 Cb 0.45 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2avy h GLU 41 CO 0.10 0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.54 2avy n GLU 42 N -4.46 0.67 -0.96 1.92 -0.58 -0.62 -4.85 120.64 111.76 2avy n GLU 42 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2avy n GLU 42 Cb 0.53 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 2avy n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2avy n GLY 43 N 0.31 0.27 0.18 0.62 0.00 0.10 -4.86 105.19 101.81 2avy n GLY 43 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 2avy n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2avy h PHE 44 N 0.00 0.00 -4.02 1.61 0.04 -1.12 -3.45 116.94 110.00 2avy h PHE 44 Ca 0.00 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.39 2avy h PHE 44 Cb 0.45 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.33 2avy h PHE 44 CO 0.29 0.37 -0.77 0.96 -0.60 0.00 0.00 178.31 178.55 2avy s ILE 45 N -3.31 0.71 0.00 -0.55 -4.36 -1.12 -4.40 121.20 108.17 2avy s ILE 45 Ca 0.02 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 2avy s ILE 45 Cb 0.09 -0.61 0.00 0.00 1.25 0.00 0.00 42.46 43.19 2avy s ILE 45 CO 0.70 0.13 0.73 -0.62 0.24 0.00 0.00 174.94 176.11 2avy n GLU 46 N 2.67 0.00 -1.61 0.37 -0.58 -1.01 -4.60 120.64 115.88 2avy n GLU 46 Ca -0.14 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2avy n GLU 46 Cb 0.57 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 2avy n GLU 46 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2avy n ASP 47 N -1.44 0.00 -3.64 1.62 2.03 -1.26 -5.01 116.55 108.85 2avy n ASP 47 Ca 0.00 -0.98 -0.07 0.00 0.52 0.00 0.00 54.79 54.26 2avy n ASP 47 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2avy n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2avy s PHE 48 N -4.46 -0.36 0.27 -0.67 -0.71 -1.26 -2.82 117.98 107.96 2avy s PHE 48 Ca 0.00 0.88 0.01 0.00 -1.04 0.00 0.00 56.93 56.78 2avy s PHE 48 Cb 0.00 0.39 -0.00 0.00 -1.21 0.00 0.00 43.02 42.20 2avy s PHE 48 CO 0.00 -0.17 0.33 1.17 -1.34 0.00 0.00 175.22 175.21 2avy n LYS 49 N 2.05 0.48 -3.97 1.99 3.00 0.25 -4.98 118.16 116.97 2avy n LYS 49 Ca -0.12 -2.29 -0.09 0.00 -0.00 0.00 0.00 58.31 55.81 2avy n LYS 49 Cb 0.56 2.10 -0.08 0.00 0.00 0.00 0.00 35.03 37.61 2avy n LYS 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2avy s VAL 50 N -2.82 0.11 -0.00 3.15 0.11 -1.26 0.36 120.40 120.05 2avy s VAL 50 Ca 0.25 -1.45 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 2avy s VAL 50 Cb -0.00 -1.68 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2avy s VAL 50 CO 0.18 -0.51 -0.04 -0.70 -3.33 0.00 0.00 175.10 170.70 2avy s GLU 51 N -3.94 0.31 0.00 1.54 2.12 -1.12 -4.93 118.70 112.68 2avy s GLU 51 Ca 0.13 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.33 2avy s GLU 51 Cb 0.05 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2avy s GLU 51 CO -0.04 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2avy n GLY 52 N 3.02 1.79 0.19 -1.50 0.00 -1.26 -1.02 105.19 106.40 2avy n GLY 52 Ca -0.13 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.92 2avy n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2avy n ASP 53 N 0.00 0.79 0.00 1.61 5.75 -1.26 -3.55 116.55 119.89 2avy n ASP 53 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 2avy n ASP 53 Cb 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2avy n ASP 53 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2avy n THR 54 N -0.81 0.00 -3.48 2.12 5.66 -1.26 -4.92 114.28 111.59 2avy n THR 54 Ca 0.13 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.86 2avy n THR 54 Cb 0.32 -0.14 -0.09 0.00 -1.55 0.00 0.00 70.33 68.88 2avy n THR 54 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2avy n LYS 55 N -0.84 2.22 -2.02 1.09 4.76 -1.26 -5.10 118.16 117.02 2avy n LYS 55 Ca 0.00 -4.50 -0.41 0.00 -2.87 0.00 0.00 58.31 50.53 2avy n LYS 55 Cb 0.07 -2.16 -0.02 0.00 -1.84 0.00 0.00 35.03 31.08 2avy n LYS 55 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2avy s PRO 56 N -2.16 4.28 -0.18 1.97 0.04 -1.23 -4.15 135.00 133.56 2avy s PRO 56 Ca 0.37 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.68 2avy s PRO 56 Cb 0.12 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.66 2avy s PRO 56 CO -0.05 -0.34 0.09 -2.00 0.04 0.00 0.00 177.00 174.74 2avy s GLU 57 N -1.32 0.13 0.63 4.56 2.12 -0.19 -3.04 118.70 121.57 2avy s GLU 57 Ca 0.54 -0.15 -0.18 0.00 0.36 0.00 0.00 54.97 55.53 2avy s GLU 57 Cb -0.42 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 2avy s GLU 57 CO 0.51 -0.69 1.17 1.28 -0.54 0.00 0.00 175.26 176.99 2avy n LEU 58 N 5.25 5.13 -3.57 2.70 4.77 0.20 -2.79 117.00 128.69 2avy n LEU 58 Ca -0.07 0.83 -0.26 0.00 -0.03 0.00 0.00 56.01 56.47 2avy n LEU 58 Cb 0.48 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 39.92 2avy n LEU 58 CO 0.10 -1.31 -0.32 -1.61 -1.33 0.00 0.00 177.39 172.93 2avy s GLU 59 N -3.11 0.12 0.17 3.23 2.02 0.16 -2.86 118.70 118.43 2avy s GLU 59 Ca 0.80 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 55.63 2avy s GLU 59 Cb -0.40 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 2avy s GLU 59 CO 0.43 -0.81 -0.00 -0.51 0.02 0.00 0.00 175.26 174.39 2avy s LEU 60 N 2.14 3.32 -0.25 1.80 1.02 -0.42 -0.59 118.68 125.71 2avy s LEU 60 Ca 0.05 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.83 2avy s LEU 60 Cb -0.16 -1.98 0.05 0.00 0.02 0.00 0.00 46.19 44.11 2avy s LEU 60 CO -0.20 0.10 -0.09 0.42 0.02 0.00 0.00 176.35 176.59 2avy s THR 61 N -1.70 2.43 1.13 5.49 -4.23 -1.13 -1.32 115.64 116.32 2avy s THR 61 Ca 0.27 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.25 2avy s THR 61 Cb -0.09 -2.33 0.18 0.00 1.34 0.00 0.00 72.50 71.60 2avy s THR 61 CO 0.19 0.08 0.47 0.18 -0.54 0.00 0.00 174.62 175.00 2avy n LEU 62 N 4.54 -1.74 -3.85 4.79 4.32 0.86 -2.41 117.00 123.50 2avy n LEU 62 Ca -0.15 -0.11 -0.11 0.00 -0.02 0.00 0.00 56.01 55.62 2avy n LEU 62 Cb 0.44 -1.11 -0.09 0.00 -1.62 0.00 0.00 43.42 41.04 2avy n LEU 62 CO 0.24 -3.19 -0.13 -0.75 -1.22 0.00 0.00 177.39 172.34 2avy s LYS 63 N -3.88 0.56 -0.26 3.23 2.20 -1.26 -4.37 119.74 115.97 2avy s LYS 63 Ca 0.62 -0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.63 2avy s LYS 63 Cb -0.18 0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.44 2avy s LYS 63 CO 0.66 -0.14 0.65 1.52 -0.36 0.00 0.00 175.35 177.68 2avy s TYR 64 N -1.64 -0.91 0.00 4.03 -0.85 -1.26 -1.56 117.35 115.16 2avy s TYR 64 Ca -0.12 1.93 0.00 0.00 -0.52 0.00 0.00 57.07 58.36 2avy s TYR 64 Cb -0.06 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.75 2avy s TYR 64 CO 0.01 -0.45 0.13 0.34 -1.52 0.00 0.00 175.55 174.06 2avy n PHE 65 N 3.77 0.00 0.00 -3.49 7.35 -1.23 -4.84 117.46 119.02 2avy n PHE 65 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2avy n PHE 65 Cb 0.57 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.10 2avy n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2avy n GLN 66 N -1.40 1.07 -0.26 -4.13 6.02 -1.26 -4.97 117.38 112.46 2avy n GLN 66 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 2avy n GLN 66 Cb 0.00 0.00 0.28 0.00 1.02 0.00 0.00 30.24 31.54 2avy n GLN 66 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2avy h GLY 67 N 0.00 1.18 -1.75 1.08 0.00 -2.05 -3.42 103.07 98.09 2avy h GLY 67 Ca 0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 47.33 46.51 2avy h GLY 67 CO 0.00 0.28 -0.01 1.25 0.00 0.00 0.00 176.54 178.06 2avy s LYS 68 N -5.82 2.45 0.77 4.80 2.47 -1.26 -5.11 119.74 118.04 2avy s LYS 68 Ca -0.11 -0.79 -0.05 0.00 -1.56 0.00 0.00 55.97 53.47 2avy s LYS 68 Cb 0.20 -2.46 0.14 0.00 -1.46 0.00 0.00 37.83 34.25 2avy s LYS 68 CO 0.79 -0.81 1.07 0.00 0.16 0.00 0.00 175.35 176.56 2avy s ALA 69 N -2.82 3.33 -0.01 3.13 0.00 -1.26 -3.52 121.76 120.61 2avy s ALA 69 Ca 0.58 -1.55 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 2avy s ALA 69 Cb -0.10 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 2avy s ALA 69 CO 0.39 -1.66 -0.01 0.28 0.00 0.00 0.00 175.76 174.76 2avy h VAL 70 N -0.78 0.00 -0.42 0.00 2.07 -1.61 -3.42 116.25 112.10 2avy h VAL 70 Ca -0.39 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 2avy h VAL 70 Cb 1.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2avy h VAL 70 CO 0.41 0.00 0.66 -0.69 0.02 0.00 0.00 177.57 177.97 2avy s VAL 71 N -1.06 3.35 -0.46 2.57 1.01 -1.26 -4.68 120.40 119.87 2avy s VAL 71 Ca -0.00 -0.52 0.13 0.00 0.00 0.00 0.00 61.98 61.59 2avy s VAL 71 Cb 0.00 -4.18 0.73 0.00 0.00 0.00 0.00 36.38 32.93 2avy s VAL 71 CO 0.01 -0.66 1.61 -0.62 0.00 0.00 0.00 175.10 175.43 2avy n GLU 72 N 8.42 4.35 -3.35 2.72 -0.58 -1.23 -4.81 120.64 126.15 2avy n GLU 72 Ca 0.43 -2.79 0.02 0.00 -0.42 0.00 0.00 57.16 54.40 2avy n GLU 72 Cb 0.46 -2.14 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 2avy n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2avy s SER 73 N -0.72 -0.61 -0.28 1.62 0.01 -1.20 -4.98 113.70 107.54 2avy s SER 73 Ca 0.49 0.73 0.01 0.00 1.31 0.00 0.00 55.95 58.48 2avy s SER 73 Cb 0.36 1.65 0.17 0.00 0.21 0.00 0.00 66.02 68.42 2avy s SER 73 CO 0.16 -0.12 0.51 -0.51 0.41 0.00 0.00 173.24 173.69 2avy s ILE 74 N 2.56 -0.83 0.16 1.44 2.07 -1.26 -0.28 121.20 125.06 2avy s ILE 74 Ca -0.01 -0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2avy s ILE 74 Cb -0.07 -0.95 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 2avy s ILE 74 CO -0.17 -0.09 -0.06 -1.10 -1.91 0.00 0.00 174.94 171.61 2avy s GLN 75 N 2.72 1.09 0.53 3.50 -1.52 -0.73 -4.87 119.66 120.37 2avy s GLN 75 Ca 0.14 -1.49 0.06 0.00 -1.95 0.00 0.00 55.36 52.12 2avy s GLN 75 Cb -0.13 -0.52 0.05 0.00 -0.22 0.00 0.00 33.01 32.19 2avy s GLN 75 CO -0.23 0.00 0.73 0.50 -0.25 0.00 0.00 175.29 176.04 2avy s ARG 76 N -3.80 2.48 0.35 2.91 3.00 -1.26 -0.74 118.95 121.89 2avy s ARG 76 Ca 0.19 -1.24 0.00 0.00 -1.00 0.00 0.00 55.73 53.68 2avy s ARG 76 Cb 0.04 -2.62 0.00 0.00 0.00 0.00 0.00 34.95 32.37 2avy s ARG 76 CO 0.02 -0.67 0.00 0.28 0.00 0.00 0.00 175.30 174.93 2avy n VAL 77 N -2.18 0.00 -2.05 7.11 0.31 -1.24 -4.80 118.33 115.47 2avy n VAL 77 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 2avy n VAL 77 Cb 0.60 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2avy n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2avy n SER 78 N -3.45 4.36 -4.96 4.52 2.88 -1.26 -4.73 113.62 110.98 2avy n SER 78 Ca 0.00 -2.91 -0.22 0.00 -1.33 0.00 0.00 58.87 54.41 2avy n SER 78 Cb 0.00 -1.63 0.02 0.00 -0.75 0.00 0.00 64.21 61.85 2avy n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2avy s ARG 79 N 2.72 2.79 0.60 -1.46 1.70 -1.18 -4.66 118.95 119.45 2avy s ARG 79 Ca 0.46 -0.66 -0.19 0.00 -0.47 0.00 0.00 55.73 54.87 2avy s ARG 79 Cb 0.11 -2.53 -0.03 0.00 -0.57 0.00 0.00 34.95 31.93 2avy s ARG 79 CO -0.04 -0.50 1.27 -1.25 -1.08 0.00 0.00 175.30 173.70 2avy s PRO 80 N -4.65 2.90 0.00 3.89 0.04 -1.26 -1.44 135.00 134.48 2avy s PRO 80 Ca 0.53 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2avy s PRO 80 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2avy s PRO 80 CO 0.38 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2avy n GLY 81 N 0.69 1.50 2.71 0.56 0.00 -1.26 -4.69 105.19 104.70 2avy n GLY 81 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2avy n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2avy n LEU 82 N 0.00 -2.04 -4.82 0.99 -0.00 -0.90 -5.15 117.00 105.08 2avy n LEU 82 Ca 0.00 -3.22 -0.32 0.00 -0.00 0.00 0.00 56.01 52.47 2avy n LEU 82 Cb 0.00 0.92 0.02 0.00 -0.00 0.00 0.00 43.42 44.36 2avy n LEU 82 CO 0.00 1.94 0.71 -0.60 -0.00 0.00 0.00 177.39 179.44 2avy s ARG 83 N 0.21 3.34 -0.07 1.96 6.06 -0.52 -3.09 118.95 126.84 2avy s ARG 83 Ca 0.21 1.02 0.01 0.00 -2.50 0.00 0.00 55.73 54.48 2avy s ARG 83 Cb 0.29 -2.04 0.02 0.00 0.06 0.00 0.00 34.95 33.28 2avy s ARG 83 CO -0.09 -0.78 -0.09 0.42 -2.50 0.00 0.00 175.30 172.26 2avy s ILE 84 N -2.77 0.96 -0.20 4.11 1.09 -1.26 -4.91 121.20 118.22 2avy s ILE 84 Ca 0.60 -0.34 -0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2avy s ILE 84 Cb -0.14 -0.92 0.05 0.00 -1.06 0.00 0.00 42.46 40.40 2avy s ILE 84 CO 0.44 0.33 -0.03 -0.31 -0.10 0.00 0.00 174.94 175.26 2avy s TYR 85 N 0.96 1.84 0.34 3.97 1.51 -1.26 -2.38 117.35 122.32 2avy s TYR 85 Ca -0.10 -1.31 0.07 0.00 -1.01 0.00 0.00 57.07 54.73 2avy s TYR 85 Cb -0.15 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 2avy s TYR 85 CO 0.00 -0.68 0.32 0.15 -1.11 0.00 0.00 175.55 174.23 2avy s LYS 86 N 1.58 2.77 0.17 -0.62 -0.14 -1.19 -5.00 119.74 117.32 2avy s LYS 86 Ca -0.02 -1.26 0.01 0.00 -1.36 0.00 0.00 55.97 53.34 2avy s LYS 86 Cb -0.17 -2.52 0.03 0.00 -1.68 0.00 0.00 37.83 33.49 2avy s LYS 86 CO -0.07 0.08 0.23 0.54 -0.76 0.00 0.00 175.35 175.37 2avy n ARG 87 N -1.41 0.71 0.00 1.68 1.74 -1.26 -3.07 116.66 115.04 2avy n ARG 87 Ca -0.01 -0.78 0.11 0.00 -0.77 0.00 0.00 57.85 56.40 2avy n ARG 87 Cb 0.60 -0.11 0.58 0.00 -1.02 0.00 0.00 32.46 32.51 2avy n ARG 87 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2avy n LYS 88 N -1.39 0.31 -0.74 5.56 2.85 -1.26 -2.96 118.16 120.52 2avy n LYS 88 Ca 0.04 0.07 0.06 0.00 -1.05 0.00 0.00 58.31 57.43 2avy n LYS 88 Cb 0.16 -1.50 0.13 0.00 -0.65 0.00 0.00 35.03 33.17 2avy n LYS 88 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2avy n ASP 89 N -1.30 1.48 0.00 -5.58 5.68 -1.26 -4.67 116.55 110.90 2avy n ASP 89 Ca 0.11 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 2avy n ASP 89 Cb 0.19 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 2avy n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2avy n GLU 90 N -0.65 4.43 -1.49 0.11 1.02 -1.16 -5.10 120.64 117.81 2avy n GLU 90 Ca 0.14 0.00 -0.53 0.00 -0.02 0.00 0.00 57.16 56.74 2avy n GLU 90 Cb 0.80 -0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.73 2avy n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2avy n LEU 91 N -0.13 -0.07 -4.80 -4.62 4.77 -1.16 -4.87 117.00 106.12 2avy n LEU 91 Ca 0.00 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.83 2avy n LEU 91 Cb 0.00 -0.99 0.09 0.00 -2.33 0.00 0.00 43.42 40.19 2avy n LEU 91 CO 0.00 -2.12 0.71 -2.16 -1.33 0.00 0.00 177.39 172.49 2avy s PRO 92 N -0.38 2.00 -0.45 3.23 0.04 -1.26 -5.05 135.00 133.13 2avy s PRO 92 Ca 0.79 0.64 0.02 0.00 0.04 0.00 0.00 61.00 62.50 2avy s PRO 92 Cb -1.07 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 31.70 2avy s PRO 92 CO 0.56 -1.68 0.28 -1.59 0.04 0.00 0.00 177.00 174.60 2avy s LYS 93 N -5.14 1.25 0.25 4.56 0.00 -1.26 -4.79 119.74 114.61 2avy s LYS 93 Ca 0.61 -2.06 -0.31 0.00 0.00 0.00 0.00 55.97 54.21 2avy s LYS 93 Cb -0.15 -2.17 -0.13 0.00 0.00 0.00 0.00 37.83 35.38 2avy s LYS 93 CO 0.54 -1.21 1.35 0.28 0.00 0.00 0.00 175.35 176.31 2avy n VAL 94 N 3.35 1.16 -4.04 1.79 0.31 -1.26 -2.86 118.33 116.79 2avy n VAL 94 Ca 0.13 -0.29 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 2avy n VAL 94 Cb 0.37 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 2avy n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2avy n MET 95 N 1.71 -1.74 -0.95 5.55 0.00 -1.26 -0.09 117.12 120.35 2avy n MET 95 Ca 0.11 0.26 -0.04 0.00 -0.00 0.00 0.00 57.70 58.03 2avy n MET 95 Cb 0.32 -3.82 -0.02 0.00 0.00 0.00 0.00 33.22 29.70 2avy n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2avy n ALA 96 N -4.55 -0.06 0.00 -5.12 0.00 -1.13 -1.65 120.51 108.00 2avy n ALA 96 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2avy n ALA 96 Cb 0.65 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2avy n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avy n GLY 97 N 0.52 0.92 0.52 0.00 0.00 0.87 -5.00 105.19 103.02 2avy n GLY 97 Ca -0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2avy n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2avy h LEU 98 N 0.00 -1.22-10.19 0.99 4.07 -1.21 -3.43 115.31 104.32 2avy h LEU 98 Ca 0.00 0.06 -0.51 0.00 0.08 0.00 0.00 57.88 57.51 2avy h LEU 98 Cb 0.00 0.35 0.11 0.00 1.08 0.00 0.00 40.66 42.19 2avy h LEU 98 CO 0.00 -0.77 0.38 -0.83 -1.08 0.00 0.00 178.44 176.14 2avy s GLY 99 N -2.04 2.19 0.37 0.83 0.00 -1.01 -5.00 107.32 102.66 2avy s GLY 99 Ca -0.19 0.59 0.07 0.00 0.00 0.00 0.00 44.72 45.19 2avy s GLY 99 CO 0.60 0.94 0.48 -0.26 0.00 0.00 0.00 173.10 174.87 2avy s ILE 100 N -2.28 3.53 -0.20 0.90 -4.36 0.12 -4.00 121.20 114.91 2avy s ILE 100 Ca 0.68 -1.06 -0.05 0.00 -0.26 0.00 0.00 60.65 59.96 2avy s ILE 100 Cb -0.21 -3.21 0.07 0.00 1.25 0.00 0.00 42.46 40.36 2avy s ILE 100 CO 0.41 -0.09 0.11 0.00 0.24 0.00 0.00 174.94 175.61 2avy s ALA 101 N -2.27 0.37 0.17 2.27 0.00 -1.26 -0.37 121.76 120.67 2avy s ALA 101 Ca 0.48 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 2avy s ALA 101 Cb -0.09 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 2avy s ALA 101 CO 0.31 -1.26 1.35 0.08 0.00 0.00 0.00 175.76 176.24 2avy s VAL 102 N 2.16 3.21 -0.12 0.00 1.01 -0.73 -0.58 120.40 125.35 2avy s VAL 102 Ca 0.04 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 2avy s VAL 102 Cb -0.16 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2avy s VAL 102 CO -0.14 0.11 0.25 0.68 0.00 0.00 0.00 175.10 176.00 2avy s VAL 103 N 0.51 -0.21 -0.12 2.92 -7.23 0.76 -0.14 120.40 116.89 2avy s VAL 103 Ca 0.60 0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 2avy s VAL 103 Cb -0.37 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 2avy s VAL 103 CO 0.35 0.09 1.11 -0.55 -0.31 0.00 0.00 175.10 175.79 2avy s SER 104 N 1.79 7.11 0.45 4.85 0.15 -0.93 -0.99 113.70 126.13 2avy s SER 104 Ca -0.04 1.61 0.06 0.00 0.70 0.00 0.00 55.95 58.28 2avy s SER 104 Cb -0.11 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2avy s SER 104 CO -0.08 -0.58 0.22 0.42 1.20 0.00 0.00 173.24 174.41 2avy s THR 105 N 2.55 2.04 -1.41 6.45 -4.23 0.21 -2.03 115.64 119.22 2avy s THR 105 Ca 0.51 -1.66 0.13 0.00 -1.18 0.00 0.00 61.69 59.49 2avy s THR 105 Cb -0.20 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.16 2avy s THR 105 CO 0.16 0.00 1.35 -0.24 -0.54 0.00 0.00 174.62 175.35 2avy n SER 106 N -1.38 0.00 -0.05 3.99 2.88 -1.26 -0.98 113.62 116.82 2avy n SER 106 Ca -0.03 0.11 0.01 0.00 -1.33 0.00 0.00 58.87 57.63 2avy n SER 106 Cb 0.65 -0.29 -0.16 0.00 -0.75 0.00 0.00 64.21 63.65 2avy n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2avy n LYS 107 N -1.29 0.70 -0.45 -1.46 4.01 -1.26 -5.10 118.16 113.31 2avy n LYS 107 Ca 0.06 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 2avy n LYS 107 Cb 0.11 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 2avy n LYS 107 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2avy n GLY 108 N 1.52 0.75 3.73 0.72 0.00 -0.15 -5.09 105.19 106.68 2avy n GLY 108 Ca -0.18 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2avy n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2avy s VAL 109 N -2.28 3.86 0.00 1.61 1.01 -1.26 0.67 120.40 124.01 2avy s VAL 109 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2avy s VAL 109 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2avy s VAL 109 CO 0.00 0.24 0.00 0.23 0.00 0.00 0.00 175.10 175.57 2avy n MET 110 N 2.66 0.00 -4.54 2.72 2.00 -0.17 -4.91 117.12 114.88 2avy n MET 110 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.48 2avy n MET 110 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.58 2avy n MET 110 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2avy s THR 111 N -2.23 2.21 0.28 2.03 -1.32 -1.26 -0.17 115.64 115.17 2avy s THR 111 Ca 0.00 -2.13 0.00 0.00 -1.21 0.00 0.00 61.69 58.35 2avy s THR 111 Cb 0.00 -2.75 0.31 0.00 -1.51 0.00 0.00 72.50 68.55 2avy s THR 111 CO 0.00 -0.15 1.64 -2.24 -2.21 0.00 0.00 174.62 171.66 2avy h ASP 112 N 1.94 -0.09 -0.00 8.08 2.03 -1.15 -1.08 116.42 126.14 2avy h ASP 112 Ca -0.43 0.20 -0.02 0.00 -0.73 0.00 0.00 57.03 56.06 2avy h ASP 112 Cb 1.25 0.29 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 2avy h ASP 112 CO 0.73 -0.17 -0.06 -0.09 -1.03 0.00 0.00 179.24 178.62 2avy h ARG 113 N 0.18 0.05 -0.19 4.15 1.12 -1.90 -3.06 114.38 114.73 2avy h ARG 113 Ca 0.53 -0.05 0.02 0.00 -1.11 0.00 0.00 59.98 59.37 2avy h ARG 113 Cb 1.04 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.98 2avy h ARG 113 CO -0.67 0.81 -0.17 0.00 -3.11 0.00 0.00 179.97 176.83 2avy h ALA 114 N 0.24 -0.35 -0.88 2.80 0.00 -1.64 0.44 119.26 119.87 2avy h ALA 114 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2avy h ALA 114 Cb 0.83 0.94 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2avy h ALA 114 CO 0.01 -0.45 0.54 0.00 0.00 0.00 0.00 179.25 179.35 2avy h ALA 115 N -0.78 1.26 0.12 0.00 0.00 -1.41 -2.32 119.26 116.13 2avy h ALA 115 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2avy h ALA 115 Cb 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2avy h ALA 115 CO -0.22 0.21 -0.07 -0.09 0.00 0.00 0.00 179.25 179.07 2avy h ARG 116 N 0.92 -0.19 -0.57 0.00 2.43 -1.17 0.69 114.38 116.49 2avy h ARG 116 Ca 0.41 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.76 2avy h ARG 116 Cb 0.31 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2avy h ARG 116 CO -0.22 -0.12 0.48 0.37 -1.51 0.00 0.00 179.97 178.97 2avy h GLN 117 N -0.19 0.00 0.23 0.20 4.15 0.36 0.14 115.11 120.00 2avy h GLN 117 Ca -0.01 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 2avy h GLN 117 Cb 0.16 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.88 2avy h GLN 117 CO 0.01 0.00 -1.46 0.00 -1.93 0.00 0.00 178.83 175.45 2avy h ALA 118 N 1.57 -0.10 0.00 3.38 0.00 -0.72 -3.49 119.26 119.90 2avy h ALA 118 Ca 0.27 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2avy h ALA 118 Cb 1.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2avy h ALA 118 CO -0.00 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2avy n GLY 119 N 1.69 1.52 3.30 0.00 0.00 0.47 -5.11 105.19 107.06 2avy n GLY 119 Ca -0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 2avy n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2avy s LEU 120 N 0.00 2.01 0.47 0.99 0.05 -1.12 -4.88 118.68 116.20 2avy s LEU 120 Ca 0.00 -1.25 0.03 0.00 0.05 0.00 0.00 54.13 52.96 2avy s LEU 120 Cb 0.00 -0.11 -0.04 0.00 -2.05 0.00 0.00 46.19 43.99 2avy s LEU 120 CO 0.00 -0.59 0.01 -0.83 -0.55 0.00 0.00 176.35 174.39 2avy s GLY 121 N -3.26 2.81 0.10 -3.48 0.00 -1.26 -4.38 107.32 97.85 2avy s GLY 121 Ca 0.29 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2avy s GLY 121 CO 0.08 -2.14 1.14 -0.32 0.00 0.00 0.00 173.10 171.87 2avy s GLY 122 N -3.80 -0.02 -0.26 0.20 0.00 -1.18 -4.36 107.32 97.91 2avy s GLY 122 Ca 0.17 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 2avy s GLY 122 CO 0.09 3.26 1.39 1.85 0.00 0.00 0.00 173.10 179.68 2avy s GLU 123 N -2.19 3.93 0.61 2.90 2.12 -0.86 -3.14 118.70 122.07 2avy s GLU 123 Ca 0.23 1.43 -0.18 0.00 0.36 0.00 0.00 54.97 56.82 2avy s GLU 123 Cb -0.01 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2avy s GLU 123 CO 0.02 -1.11 0.82 -0.89 -0.54 0.00 0.00 175.26 173.57 2avy n ILE 124 N 6.13 3.28 -0.01 -3.70 5.41 -1.00 -2.19 119.36 127.27 2avy n ILE 124 Ca 0.16 -0.49 -0.05 0.00 1.00 0.00 0.00 62.75 63.37 2avy n ILE 124 Cb 0.46 -1.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.37 2avy n ILE 124 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2avy n ILE 125 N -1.83 0.64 -3.62 1.39 5.41 0.81 -4.30 119.36 117.85 2avy n ILE 125 Ca 0.13 0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.91 2avy n ILE 125 Cb 0.48 -1.63 -0.01 0.00 -0.71 0.00 0.00 39.64 37.76 2avy n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2avy s TYR 127 N -2.84 3.05 -0.23 0.00 2.02 0.08 -1.76 117.35 117.67 2avy s TYR 127 Ca 0.10 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2avy s TYR 127 Cb 0.00 -2.06 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 2avy s TYR 127 CO -0.04 -0.17 -0.11 0.08 -1.57 0.00 0.00 175.55 173.75 2avy s VAL 128 N 0.82 1.92 0.00 0.71 1.01 0.51 -1.77 120.40 123.60 2avy s VAL 128 Ca 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.66 2avy s VAL 128 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2avy s VAL 128 CO 0.02 0.08 0.45 0.00 0.00 0.00 0.00 175.10 175.65