#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy n ARG 3 N 0.00 0.86 -1.59 -0.14 0.00 -1.26 -5.00 116.66 109.54 2avy n ARG 3 Ca 0.00 -0.05 -0.46 0.00 -0.00 0.00 0.00 57.85 57.34 2avy n ARG 3 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.05 2avy n ARG 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2avy n ARG 4 N -1.63 1.31 -3.43 -0.14 3.00 -1.26 -4.98 116.66 109.52 2avy n ARG 4 Ca 0.02 0.46 -0.20 0.00 -0.00 0.00 0.00 57.85 58.13 2avy n ARG 4 Cb 0.34 -1.89 -0.11 0.00 0.00 0.00 0.00 32.46 30.81 2avy n ARG 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2avy s VAL 5 N -0.69 -0.32 0.00 5.15 -7.23 -1.26 -5.12 120.40 110.94 2avy s VAL 5 Ca 0.64 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2avy s VAL 5 Cb -0.75 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.21 2avy s VAL 5 CO 0.56 -0.54 0.00 2.30 -0.31 0.00 0.00 175.10 177.11 2avy n ILE 6 N 5.24 0.00 -4.32 -0.62 -5.35 -1.26 -5.18 119.36 107.87 2avy n ILE 6 Ca -0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.31 2avy n ILE 6 Cb 0.45 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.32 2avy n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avy n GLY 7 N 3.99 3.82 3.91 3.28 0.00 -1.26 -5.15 105.19 113.78 2avy n GLY 7 Ca 0.00 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 2avy n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2avy s GLN 8 N -2.83 3.05 -0.57 1.61 0.74 -1.26 -5.02 119.66 115.38 2avy s GLN 8 Ca 0.04 0.05 -0.24 0.00 0.05 0.00 0.00 55.36 55.26 2avy s GLN 8 Cb 0.00 -2.29 0.05 0.00 1.10 0.00 0.00 33.01 31.87 2avy s GLN 8 CO 0.03 -0.60 0.93 0.50 -0.55 0.00 0.00 175.29 175.59 2avy s ARG 9 N -4.95 3.27 -0.18 1.67 3.52 -1.26 -4.98 118.95 116.04 2avy s ARG 9 Ca 0.53 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 2avy s ARG 9 Cb -0.10 -4.09 -0.07 0.00 -1.56 0.00 0.00 34.95 29.12 2avy s ARG 9 CO 0.45 -1.54 2.15 1.17 -0.81 0.00 0.00 175.30 176.72 2avy n LYS 10 N 7.45 1.99 -3.26 5.12 3.00 -1.26 -4.95 118.16 126.26 2avy n LYS 10 Ca 0.00 0.61 -0.30 0.00 -0.00 0.00 0.00 58.31 58.61 2avy n LYS 10 Cb 0.47 -3.02 -0.04 0.00 0.00 0.00 0.00 35.03 32.44 2avy n LYS 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2avy s ILE 11 N 7.11 4.93 -0.03 3.15 1.09 -1.26 -5.06 121.20 131.13 2avy s ILE 11 Ca 1.00 0.36 -0.30 0.00 -1.10 0.00 0.00 60.65 60.61 2avy s ILE 11 Cb -0.47 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 2avy s ILE 11 CO 0.40 -0.27 1.00 -0.76 -0.10 0.00 0.00 174.94 175.22 2avy s LEU 12 N -3.33 4.33 1.05 2.97 2.01 -1.26 -4.83 118.68 119.63 2avy s LEU 12 Ca 0.47 1.64 -0.13 0.00 0.01 0.00 0.00 54.13 56.13 2avy s LEU 12 Cb -0.11 -3.57 0.18 0.00 0.01 0.00 0.00 46.19 42.70 2avy s LEU 12 CO 0.26 -0.33 0.82 -0.81 1.01 0.00 0.00 176.35 177.31 2avy n PRO 13 N 4.24 -1.34 -1.26 1.29 -0.04 -1.26 -4.63 135.00 132.01 2avy n PRO 13 Ca 0.07 -0.35 -0.37 0.00 -0.04 0.00 0.00 63.50 62.81 2avy n PRO 13 Cb 0.50 -2.13 0.04 0.00 -0.04 0.00 0.00 33.50 31.87 2avy n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2avy n ASP 14 N -3.70 -2.58 0.00 3.54 -0.08 -1.22 -4.65 116.55 107.85 2avy n ASP 14 Ca 0.06 0.59 0.04 0.00 -1.51 0.00 0.00 54.79 53.97 2avy n ASP 14 Cb 0.54 -1.03 0.25 0.00 2.34 0.00 0.00 41.12 43.22 2avy n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2avy n PRO 15 N 0.53 0.34 0.00 -0.67 -0.04 -1.26 -3.00 135.00 130.90 2avy n PRO 15 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2avy n PRO 15 Cb 0.49 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2avy n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2avy n LYS 16 N -0.89 0.00 0.23 0.54 0.00 -1.26 -4.89 118.16 111.89 2avy n LYS 16 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 58.31 58.52 2avy n LYS 16 Cb 0.03 0.00 0.79 0.00 0.00 0.00 0.00 35.03 35.85 2avy n LYS 16 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2avy h PHE 17 N 0.00 0.00 -5.71 5.64 -1.00 -1.97 -3.47 116.94 110.44 2avy h PHE 17 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 2avy h PHE 17 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2avy h PHE 17 CO 0.00 0.00 -0.87 0.41 -1.61 0.00 0.00 178.31 176.24 2avy n GLY 18 N -1.22 -1.55 3.13 -1.45 0.00 -1.16 -4.89 105.19 98.05 2avy n GLY 18 Ca -0.02 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.75 2avy n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2avy s SER 19 N -1.85 -0.04 0.32 1.61 1.04 -1.26 -4.70 113.70 108.81 2avy s SER 19 Ca 0.18 0.73 0.06 0.00 0.48 0.00 0.00 55.95 57.39 2avy s SER 19 Cb -0.03 1.21 0.72 0.00 0.10 0.00 0.00 66.02 68.02 2avy s SER 19 CO 0.68 -0.25 1.83 -0.33 0.98 0.00 0.00 173.24 176.15 2avy h GLU 20 N 8.19 0.78 -0.70 4.02 5.08 -1.88 0.83 114.58 130.90 2avy h GLU 20 Ca -0.17 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2avy h GLU 20 Cb 1.12 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 2avy h GLU 20 CO 0.17 0.51 0.46 1.37 -1.00 0.00 0.00 179.01 180.52 2avy h LEU 21 N 0.80 0.59 0.00 1.33 -0.00 -1.97 -0.05 115.31 116.01 2avy h LEU 21 Ca 0.50 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 58.32 2avy h LEU 21 Cb 0.72 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2avy h LEU 21 CO -0.27 0.37 -1.20 -0.11 -0.00 0.00 0.00 178.44 177.23 2avy n LEU 22 N -4.48 0.84 0.00 0.17 -0.00 0.53 -3.88 117.00 110.17 2avy n LEU 22 Ca 0.11 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 2avy n LEU 22 Cb 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2avy n LEU 22 CO 0.33 -0.04 0.41 0.00 -0.00 0.00 0.00 177.39 178.09 2avy n ALA 23 N -2.27 -0.31 0.20 1.96 0.00 0.26 -2.00 120.51 118.34 2avy n ALA 23 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.50 2avy n ALA 23 Cb 0.67 0.02 0.55 0.00 0.00 0.00 0.00 19.45 20.69 2avy n ALA 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2avy h LYS 24 N 0.00 0.00 0.13 0.00 3.64 -1.64 0.35 116.57 119.05 2avy h LYS 24 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2avy h LYS 24 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2avy h LYS 24 CO 0.00 0.00 -0.06 0.35 -2.27 0.00 0.00 179.45 177.47 2avy h PHE 25 N 0.00 -0.16 -0.28 1.91 3.57 -1.57 0.26 116.94 120.67 2avy h PHE 25 Ca 0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2avy h PHE 25 Cb 0.35 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2avy h PHE 25 CO 0.00 0.16 -0.04 -0.39 -2.23 0.00 0.00 178.31 175.81 2avy h VAL 26 N -0.48 1.19 -0.15 1.41 -1.51 -0.30 -1.81 116.25 114.60 2avy h VAL 26 Ca -0.02 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.65 2avy h VAL 26 Cb 0.39 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2avy h VAL 26 CO 0.03 0.26 -0.06 0.78 -1.23 0.00 0.00 177.57 177.35 2avy h ASN 27 N 0.42 0.30 0.00 4.19 2.35 -1.33 1.18 115.58 122.69 2avy h ASN 27 Ca 0.09 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2avy h ASN 27 Cb 0.34 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2avy h ASN 27 CO 0.01 0.63 -0.00 0.40 -1.65 0.00 0.00 177.43 176.82 2avy h ILE 28 N -0.03 0.90 0.00 2.81 2.04 -0.69 -0.90 117.51 121.64 2avy h ILE 28 Ca 0.03 -0.01 -0.25 0.00 1.00 0.00 0.00 64.86 65.63 2avy h ILE 28 Cb 0.51 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2avy h ILE 28 CO 0.02 0.00 -1.45 0.25 0.00 0.00 0.00 178.15 176.97 2avy h LEU 29 N 0.00 0.00 -9.78 1.44 5.85 -0.94 -3.48 115.31 108.40 2avy h LEU 29 Ca -0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 2avy h LEU 29 Cb 0.00 0.00 0.20 0.00 0.37 0.00 0.00 40.66 41.24 2avy h LEU 29 CO 0.00 0.95 -0.41 0.80 -0.34 0.00 0.00 178.44 179.44 2avy n MET 30 N -3.12 -0.00 -3.72 1.25 1.56 0.40 -4.94 117.12 108.55 2avy n MET 30 Ca -0.11 0.05 -0.14 0.00 -0.27 0.00 0.00 57.70 57.23 2avy n MET 30 Cb 0.99 -1.91 -0.09 0.00 2.15 0.00 0.00 33.22 34.37 2avy n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2avy s VAL 31 N -2.17 0.02 -1.07 1.12 0.11 -1.26 -4.90 120.40 112.24 2avy s VAL 31 Ca 0.62 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 2avy s VAL 31 Cb -0.27 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2avy s VAL 31 CO 0.62 -0.08 0.08 0.47 -3.33 0.00 0.00 175.10 172.86 2avy n ASP 32 N 2.19 -3.87 0.00 3.54 10.43 -1.26 -0.65 116.55 126.92 2avy n ASP 32 Ca -0.16 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.31 2avy n ASP 32 Cb 0.57 -3.28 0.00 0.00 1.84 0.00 0.00 41.12 40.25 2avy n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2avy n GLY 33 N -0.87 0.00 1.91 0.44 0.00 -1.26 -4.78 105.19 100.63 2avy n GLY 33 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2avy n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2avy n LYS 34 N 0.91 1.73 -0.41 1.61 5.02 0.18 -4.67 118.16 122.53 2avy n LYS 34 Ca 0.00 -1.03 0.35 0.00 -2.02 0.00 0.00 58.31 55.61 2avy n LYS 34 Cb 0.46 -1.65 0.58 0.00 -0.02 0.00 0.00 35.03 34.40 2avy n LYS 34 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2avy n LYS 35 N 1.54 -0.03 0.08 1.97 4.81 -1.26 -0.44 118.16 124.83 2avy n LYS 35 Ca 0.29 1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 58.66 2avy n LYS 35 Cb 0.67 -2.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.52 2avy n LYS 35 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2avy h SER 36 N 0.00 -1.31 -0.59 3.14 0.87 -1.96 -2.00 113.55 111.70 2avy h SER 36 Ca 0.76 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 61.57 2avy h SER 36 Cb 2.44 0.50 -0.08 0.00 -0.44 0.00 0.00 62.40 64.83 2avy h SER 36 CO -0.40 -0.48 0.18 0.74 -0.53 0.00 0.00 176.83 176.34 2avy h THR 37 N -0.62 0.73 -0.54 2.23 2.02 -1.16 -1.41 112.91 114.16 2avy h THR 37 Ca 0.03 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.21 2avy h THR 37 Cb 0.67 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 67.33 2avy h THR 37 CO -0.30 0.06 -0.16 0.00 0.37 0.00 0.00 175.52 175.49 2avy h ALA 38 N 1.43 0.31 0.99 6.16 0.00 -1.36 0.63 119.26 127.41 2avy h ALA 38 Ca 0.30 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 2avy h ALA 38 Cb 0.40 0.46 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2avy h ALA 38 CO -0.34 -0.46 -0.48 0.93 0.00 0.00 0.00 179.25 178.90 2avy h GLU 39 N -0.03 -1.28 0.00 0.00 4.39 -0.67 0.74 114.58 117.73 2avy h GLU 39 Ca 0.26 0.09 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2avy h GLU 39 Cb 0.42 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2avy h GLU 39 CO -0.57 -0.85 0.00 0.43 -1.16 0.00 0.00 179.01 176.85 2avy n SER 40 N -5.66 0.00 -0.08 1.42 7.64 -0.62 0.85 113.62 117.18 2avy n SER 40 Ca -0.17 0.11 -0.10 0.00 1.01 0.00 0.00 58.87 59.73 2avy n SER 40 Cb 0.53 -0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.45 2avy n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2avy n ILE 41 N -1.18 0.94 -0.11 0.44 0.13 0.21 -4.48 119.36 115.30 2avy n ILE 41 Ca 0.02 -0.45 -0.20 0.00 -1.10 0.00 0.00 62.75 61.02 2avy n ILE 41 Cb 0.02 -0.91 -0.12 0.00 -0.84 0.00 0.00 39.64 37.79 2avy n ILE 41 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 2avy n VAL 42 N -2.78 1.54 0.22 9.51 0.31 0.20 -3.81 118.33 123.51 2avy n VAL 42 Ca -0.26 -0.54 0.17 0.00 -0.01 0.00 0.00 64.34 63.70 2avy n VAL 42 Cb 0.86 -1.55 0.85 0.00 -0.91 0.00 0.00 33.84 33.09 2avy n VAL 42 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2avy h TYR 43 N -0.17 0.00 0.01 3.52 5.03 0.29 0.46 116.97 126.10 2avy h TYR 43 Ca -0.57 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 60.74 2avy h TYR 43 Cb 1.86 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.14 2avy h TYR 43 CO 0.02 0.00 -0.00 0.66 -1.32 0.00 0.00 178.16 177.52 2avy h SER 44 N 0.00 -0.01 -0.57 -2.11 4.64 -1.75 -3.20 113.55 110.56 2avy h SER 44 Ca 0.08 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.56 2avy h SER 44 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2avy h SER 44 CO -0.00 0.32 0.48 0.00 -0.87 0.00 0.00 176.83 176.76 2avy h ALA 45 N -1.35 2.40 -0.18 5.18 0.00 -1.57 0.91 119.26 124.65 2avy h ALA 45 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2avy h ALA 45 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2avy h ALA 45 CO 0.00 -0.77 -0.29 1.25 0.00 0.00 0.00 179.25 179.44 2avy h LEU 46 N 0.00 0.34 0.00 0.00 7.12 -0.20 -3.11 115.31 119.46 2avy h LEU 46 Ca 0.27 -0.12 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 2avy h LEU 46 Cb 1.23 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 2avy h LEU 46 CO -0.00 0.62 -2.02 -0.62 -0.13 0.00 0.00 178.44 176.29 2avy n GLU 47 N -4.12 0.66 0.00 1.25 -0.58 0.18 -4.16 120.64 113.87 2avy n GLU 47 Ca -0.01 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2avy n GLU 47 Cb 0.40 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 2avy n GLU 47 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2avy n THR 48 N -2.33 1.44 0.32 2.62 -2.24 0.26 -1.46 114.28 112.88 2avy n THR 48 Ca -0.07 0.36 0.21 0.00 -2.27 0.00 0.00 64.05 62.28 2avy n THR 48 Cb 0.64 -1.35 1.07 0.00 -2.10 0.00 0.00 70.33 68.60 2avy n THR 48 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2avy h LEU 49 N 0.00 0.00 0.00 3.22 3.38 -1.72 -2.49 115.31 117.71 2avy h LEU 49 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2avy h LEU 49 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2avy h LEU 49 CO 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.30 2avy h ALA 50 N 2.01 -0.30 0.00 1.53 0.00 -1.59 1.17 119.26 122.07 2avy h ALA 50 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2avy h ALA 50 Cb 0.09 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2avy h ALA 50 CO 0.00 -0.73 -0.03 0.37 0.00 0.00 0.00 179.25 178.86 2avy h GLN 51 N -0.36 0.00 0.00 0.00 5.75 -1.70 0.46 115.11 119.26 2avy h GLN 51 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2avy h GLN 51 Cb 0.44 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.99 2avy h GLN 51 CO -0.21 0.03 -0.41 0.54 -2.65 0.00 0.00 178.83 176.14 2avy n ARG 52 N -4.05 0.06 0.00 1.69 3.00 0.71 -4.86 116.66 113.21 2avy n ARG 52 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 2avy n ARG 52 Cb 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.03 2avy n ARG 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2avy n SER 53 N -1.63 0.00 0.00 0.55 3.41 0.37 -5.05 113.62 111.26 2avy n SER 53 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2avy n SER 53 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2avy n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2avy n GLY 54 N 0.13 0.23 0.00 5.00 0.00 -0.27 -4.97 105.19 105.32 2avy n GLY 54 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2avy n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2avy n LYS 55 N 0.00 0.00 -1.31 1.61 0.00 -1.26 -5.04 118.16 112.15 2avy n LYS 55 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2avy n LYS 55 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 2avy n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2avy n SER 56 N -0.18 2.76 -4.56 -5.58 7.64 -1.26 -4.86 113.62 107.59 2avy n SER 56 Ca 0.00 -2.70 -0.23 0.00 1.01 0.00 0.00 58.87 56.95 2avy n SER 56 Cb 0.00 -1.23 -0.05 0.00 -1.01 0.00 0.00 64.21 61.91 2avy n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2avy n GLU 57 N 7.02 0.76 0.04 1.43 -0.58 -1.26 -4.37 120.64 123.68 2avy n GLU 57 Ca 0.50 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2avy n GLU 57 Cb 0.41 -3.60 0.00 0.00 -0.57 0.00 0.00 31.44 27.68 2avy n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2avy n LEU 58 N 17.62 -0.03 0.19 -4.62 7.94 -1.26 -4.85 117.00 131.99 2avy n LEU 58 Ca 0.43 0.12 0.13 0.00 -1.11 0.00 0.00 56.01 55.58 2avy n LEU 58 Cb 0.48 0.10 0.34 0.00 0.53 0.00 0.00 43.42 44.87 2avy n LEU 58 CO 0.61 -0.55 0.86 -0.33 -1.11 0.00 0.00 177.39 176.87 2avy h GLU 59 N 0.00 0.00 -1.00 1.96 3.07 -2.02 -3.24 114.58 113.34 2avy h GLU 59 Ca 0.00 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.08 2avy h GLU 59 Cb 0.04 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.84 2avy h GLU 59 CO 0.00 0.00 0.61 0.00 -1.40 0.00 0.00 179.01 178.22 2avy h ALA 60 N 2.16 1.78 0.46 3.43 0.00 -1.88 0.98 119.26 126.20 2avy h ALA 60 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2avy h ALA 60 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2avy h ALA 60 CO 0.00 -0.20 -0.34 0.35 0.00 0.00 0.00 179.25 179.06 2avy h PHE 61 N 0.65 -0.91 -0.68 0.00 3.57 -1.93 0.25 116.94 117.90 2avy h PHE 61 Ca 0.60 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.08 2avy h PHE 61 Cb 1.08 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2avy h PHE 61 CO -0.00 -0.50 0.34 1.49 -2.23 0.00 0.00 178.31 177.40 2avy h GLU 62 N -0.79 0.97 -0.56 1.11 4.81 -1.46 -1.41 114.58 117.25 2avy h GLU 62 Ca -0.05 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2avy h GLU 62 Cb 0.67 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2avy h GLU 62 CO 0.01 0.76 0.21 0.28 -0.73 0.00 0.00 179.01 179.54 2avy h VAL 63 N 0.94 1.21 -0.17 0.32 2.07 -0.69 -1.71 116.25 118.22 2avy h VAL 63 Ca 0.23 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 2avy h VAL 63 Cb 0.10 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2avy h VAL 63 CO -0.03 0.26 -0.39 0.00 0.02 0.00 0.00 177.57 177.43 2avy h ALA 64 N 1.42 1.02 0.00 1.67 0.00 0.05 -2.66 119.26 120.75 2avy h ALA 64 Ca 0.19 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2avy h ALA 64 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2avy h ALA 64 CO -0.01 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.77 2avy h LEU 65 N 0.32 0.00 -0.91 0.00 4.07 -0.61 -3.19 115.31 114.99 2avy h LEU 65 Ca 0.03 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.07 2avy h LEU 65 Cb 0.83 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.50 2avy h LEU 65 CO 0.07 0.01 0.56 -0.33 -1.08 0.00 0.00 178.44 177.67 2avy h GLU 66 N 0.00 0.96 0.00 1.13 5.08 -0.96 0.25 114.58 121.05 2avy h GLU 66 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2avy h GLU 66 Cb 0.76 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2avy h GLU 66 CO 0.00 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.74 2avy n ASN 67 N -4.61 0.00 -0.25 1.42 3.02 -1.21 -2.90 115.26 110.72 2avy n ASN 67 Ca 0.14 -1.39 0.03 0.00 -0.03 0.00 0.00 54.58 53.34 2avy n ASN 67 Cb 0.22 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 2avy n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2avy n VAL 68 N -0.75 0.72 -3.41 2.41 0.31 0.77 -4.71 118.33 113.67 2avy n VAL 68 Ca 0.11 -0.85 -0.44 0.00 -0.01 0.00 0.00 64.34 63.15 2avy n VAL 68 Cb 0.05 0.31 -0.06 0.00 -0.91 0.00 0.00 33.84 33.24 2avy n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2avy s ARG 69 N -1.06 2.90 1.00 5.55 0.52 -0.51 -4.40 118.95 122.95 2avy s ARG 69 Ca 0.11 -1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 53.30 2avy s ARG 69 Cb 0.09 -4.18 0.19 0.00 0.52 0.00 0.00 34.95 31.58 2avy s ARG 69 CO 0.01 -1.28 1.16 -1.25 0.02 0.00 0.00 175.30 173.96 2avy s PRO 70 N 1.24 0.41 0.00 3.54 0.04 -1.26 -5.01 135.00 133.96 2avy s PRO 70 Ca 0.07 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.25 2avy s PRO 70 Cb -0.25 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2avy s PRO 70 CO -0.00 -2.66 0.83 -2.37 0.04 0.00 0.00 177.00 172.84 2avy n THR 71 N -4.05 0.00 -3.64 1.26 5.66 -1.26 -4.87 114.28 107.38 2avy n THR 71 Ca 0.09 -0.11 -0.05 0.00 -3.05 0.00 0.00 64.05 60.93 2avy n THR 71 Cb 0.59 0.37 -0.07 0.00 -1.55 0.00 0.00 70.33 69.67 2avy n THR 71 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2avy s VAL 72 N 0.00 0.00 0.10 1.08 -7.23 -1.26 -3.60 120.40 109.49 2avy s VAL 72 Ca 0.04 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.19 2avy s VAL 72 Cb 0.04 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 2avy s VAL 72 CO -0.02 0.00 0.03 -1.83 -0.31 0.00 0.00 175.10 172.97 2avy s GLU 73 N 1.33 0.81 0.80 4.82 -1.05 0.15 -4.67 118.70 120.88 2avy s GLU 73 Ca -0.08 -1.34 -0.04 0.00 -0.15 0.00 0.00 54.97 53.36 2avy s GLU 73 Cb -0.04 0.24 0.16 0.00 -0.44 0.00 0.00 34.13 34.04 2avy s GLU 73 CO -0.15 -0.21 1.10 0.08 0.95 0.00 0.00 175.26 177.03 2avy s VAL 74 N -3.99 2.03 -0.33 1.83 1.01 -1.26 0.53 120.40 120.21 2avy s VAL 74 Ca 0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2avy s VAL 74 Cb 0.08 -2.55 0.20 0.00 0.00 0.00 0.00 36.38 34.10 2avy s VAL 74 CO -0.03 0.00 1.06 -0.75 0.00 0.00 0.00 175.10 175.38 2avy s LYS 75 N -5.36 0.21 0.23 2.72 2.47 -0.54 -4.73 119.74 114.74 2avy s LYS 75 Ca 0.70 -0.13 -0.31 0.00 -1.56 0.00 0.00 55.97 54.66 2avy s LYS 75 Cb -0.04 0.01 -0.14 0.00 -1.46 0.00 0.00 37.83 36.20 2avy s LYS 75 CO 0.47 -0.28 1.27 0.45 0.16 0.00 0.00 175.35 177.42 2avy n SER 76 N 3.25 2.13 -4.04 1.43 2.88 -1.26 -4.10 113.62 113.91 2avy n SER 76 Ca 0.08 1.15 -0.26 0.00 -1.33 0.00 0.00 58.87 58.51 2avy n SER 76 Cb 0.64 -1.35 -0.17 0.00 -0.75 0.00 0.00 64.21 62.58 2avy n SER 76 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2avy s ARG 77 N -0.65 1.89 -0.86 -1.46 6.06 -1.18 -4.88 118.95 117.86 2avy s ARG 77 Ca 0.68 -0.46 -0.12 0.00 -2.50 0.00 0.00 55.73 53.33 2avy s ARG 77 Cb -0.71 -1.58 -0.09 0.00 0.06 0.00 0.00 34.95 32.63 2avy s ARG 77 CO 0.53 0.00 2.03 -2.13 -2.50 0.00 0.00 175.30 173.23 2avy n ARG 78 N 3.95 1.86 -4.43 5.12 0.00 -1.26 0.09 116.66 121.98 2avy n ARG 78 Ca -0.21 -1.60 -0.21 0.00 -0.00 0.00 0.00 57.85 55.83 2avy n ARG 78 Cb 0.52 -2.63 -0.11 0.00 0.00 0.00 0.00 32.46 30.24 2avy n ARG 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2avy s VAL 79 N 4.00 1.21 -1.48 5.15 -7.23 -1.19 -4.81 120.40 116.05 2avy s VAL 79 Ca 0.45 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2avy s VAL 79 Cb 0.12 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2avy s VAL 79 CO 0.02 -0.06 0.66 0.61 -0.31 0.00 0.00 175.10 176.02 2avy n GLY 80 N -0.65 -0.52 5.00 2.32 0.00 -1.26 -2.91 105.19 107.17 2avy n GLY 80 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2avy n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avy n GLY 81 N -1.51 1.15 0.00 -0.02 0.00 -1.26 -4.78 105.19 98.76 2avy n GLY 81 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2avy n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2avy n SER 82 N 2.56 0.00 -3.81 1.61 3.41 -1.15 -5.08 113.62 111.17 2avy n SER 82 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2avy n SER 82 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 2avy n SER 82 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2avy s THR 83 N 1.08 0.92 0.00 6.66 -4.23 -1.25 -3.14 115.64 115.67 2avy s THR 83 Ca 0.00 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2avy s THR 83 Cb 0.00 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.50 2avy s THR 83 CO 0.00 -0.18 0.00 -1.22 -0.54 0.00 0.00 174.62 172.68 2avy n TYR 84 N 4.90 -1.69 -0.19 3.99 0.53 0.11 -4.69 117.16 120.12 2avy n TYR 84 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 2avy n TYR 84 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.77 2avy n TYR 84 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2avy n GLN 85 N -1.14 1.77 0.00 -0.72 1.13 -1.26 -3.10 117.38 114.06 2avy n GLN 85 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2avy n GLN 85 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 30.24 30.20 2avy n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2avy n VAL 86 N 0.00 0.00 -2.47 5.09 0.31 -1.26 -1.47 118.33 118.54 2avy n VAL 86 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2avy n VAL 86 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2avy n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2avy s PRO 87 N 0.00 4.21 0.03 5.55 0.04 -1.26 -3.87 135.00 139.70 2avy s PRO 87 Ca 0.00 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 2avy s PRO 87 Cb 0.00 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 2avy s PRO 87 CO 0.00 -0.13 -0.02 0.54 0.04 0.00 0.00 177.00 177.42 2avy s VAL 88 N -1.51 0.16 0.00 -0.36 0.11 0.19 -4.66 120.40 114.33 2avy s VAL 88 Ca 0.55 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2avy s VAL 88 Cb -0.26 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2avy s VAL 88 CO 0.33 -0.74 0.00 -1.84 -3.33 0.00 0.00 175.10 169.52 2avy n GLU 89 N 0.86 -1.34 -3.71 1.54 -0.00 -1.26 0.29 120.64 117.02 2avy n GLU 89 Ca -0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 57.16 56.76 2avy n GLU 89 Cb 0.58 0.00 -0.18 0.00 -0.00 0.00 0.00 31.44 31.84 2avy n GLU 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2avy s VAL 90 N -0.86 0.05 1.01 3.84 -7.23 -1.24 -4.41 120.40 111.56 2avy s VAL 90 Ca 0.00 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.37 2avy s VAL 90 Cb 0.00 -0.27 0.13 0.00 0.56 0.00 0.00 36.38 36.80 2avy s VAL 90 CO 0.00 0.20 0.67 0.54 -0.31 0.00 0.00 175.10 176.20 2avy n ARG 91 N 5.22 -0.96 -0.32 4.82 3.00 -1.26 -4.68 116.66 122.48 2avy n ARG 91 Ca -0.05 -0.24 -0.04 0.00 -0.01 0.00 0.00 57.85 57.51 2avy n ARG 91 Cb 0.50 -2.04 0.08 0.00 0.00 0.00 0.00 32.46 31.00 2avy n ARG 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2avy h PRO 92 N -1.96 1.24 -1.02 5.56 0.13 -1.99 -2.22 132.00 131.75 2avy h PRO 92 Ca -0.48 -0.17 0.34 0.00 -0.87 0.00 0.00 66.00 64.82 2avy h PRO 92 Cb 1.30 -0.23 -0.15 0.00 0.13 0.00 0.00 31.00 32.05 2avy h PRO 92 CO 0.40 0.94 0.58 -0.39 -0.23 0.00 0.00 178.00 179.30 2avy h VAL 93 N 1.23 0.25 0.00 1.56 -1.51 -2.03 -1.23 116.25 114.53 2avy h VAL 93 Ca 0.30 -0.09 -0.11 0.00 -1.23 0.00 0.00 66.70 65.57 2avy h VAL 93 Cb 0.10 -0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.19 2avy h VAL 93 CO -0.04 0.05 -2.04 -2.11 -1.23 0.00 0.00 177.57 172.20 2avy n ARG 94 N -5.06 0.72 0.04 5.19 1.85 -1.16 -4.12 116.66 114.12 2avy n ARG 94 Ca 0.33 -0.13 -0.13 0.00 -1.00 0.00 0.00 57.85 56.92 2avy n ARG 94 Cb 1.05 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 30.90 2avy n ARG 94 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2avy h ARG 95 N 0.00 -0.54 -0.49 2.89 3.08 -0.58 0.94 114.38 119.68 2avy h ARG 95 Ca -0.16 0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2avy h ARG 95 Cb 1.32 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 2avy h ARG 95 CO 0.01 -0.36 0.31 -0.91 -1.07 0.00 0.00 179.97 177.95 2avy h ASN 96 N -0.56 0.52 0.05 7.04 4.21 -1.77 -2.44 115.58 122.63 2avy h ASN 96 Ca 0.01 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 2avy h ASN 96 Cb 0.61 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2avy h ASN 96 CO -0.32 0.37 -0.03 0.00 -1.29 0.00 0.00 177.43 176.16 2avy h ALA 97 N 1.20 -0.90 -0.73 -0.83 0.00 -1.56 -2.74 119.26 113.68 2avy h ALA 97 Ca 0.19 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2avy h ALA 97 Cb -0.03 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2avy h ALA 97 CO -0.06 -0.90 -0.43 1.28 0.00 0.00 0.00 179.25 179.13 2avy n LEU 98 N -2.36 -0.78 -0.30 0.00 4.77 0.32 -0.16 117.00 118.49 2avy n LEU 98 Ca -0.01 1.37 -0.03 0.00 -0.03 0.00 0.00 56.01 57.32 2avy n LEU 98 Cb 0.03 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2avy n LEU 98 CO 0.02 -1.10 0.61 0.00 -1.33 0.00 0.00 177.39 175.60 2avy h ALA 99 N 0.30 0.10 -1.06 -1.18 0.00 -1.44 0.40 119.26 116.37 2avy h ALA 99 Ca 0.12 0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.55 2avy h ALA 99 Cb 0.30 0.90 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2avy h ALA 99 CO -0.69 -0.63 0.67 0.52 0.00 0.00 0.00 179.25 179.11 2avy h MET 100 N -0.07 0.38 0.41 0.00 2.86 -0.23 0.33 114.93 118.60 2avy h MET 100 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2avy h MET 100 Cb 0.58 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2avy h MET 100 CO -0.85 0.25 -0.20 0.00 1.06 0.00 0.00 176.91 177.17 2avy h ARG 101 N 0.39 -0.53 -0.83 1.72 3.08 -0.02 -1.89 114.38 116.29 2avy h ARG 101 Ca 0.64 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.85 2avy h ARG 101 Cb 1.59 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.71 2avy h ARG 101 CO -0.37 -0.26 0.54 -1.49 -1.07 0.00 0.00 179.97 177.32 2avy h TRP 102 N -0.74 0.79 -0.06 3.04 4.06 -0.77 2.19 115.95 124.46 2avy h TRP 102 Ca -0.06 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.83 2avy h TRP 102 Cb 0.52 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2avy h TRP 102 CO -0.01 0.34 -0.37 0.82 -3.56 0.00 0.00 178.44 175.66 2avy h ILE 103 N 0.71 1.28 0.00 1.49 2.04 -0.83 -2.96 117.51 119.24 2avy h ILE 103 Ca 0.40 -1.37 -0.41 0.00 1.00 0.00 0.00 64.86 64.48 2avy h ILE 103 Cb 0.56 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 2avy h ILE 103 CO -0.16 0.40 -2.37 0.52 0.00 0.00 0.00 178.15 176.54 2avy n VAL 104 N -4.07 1.34 0.05 1.67 0.31 -0.17 -3.43 118.33 114.04 2avy n VAL 104 Ca -0.02 -0.36 0.01 0.00 -0.01 0.00 0.00 64.34 63.96 2avy n VAL 104 Cb 0.43 -1.79 0.03 0.00 -0.91 0.00 0.00 33.84 31.60 2avy n VAL 104 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2avy n GLU 105 N -4.02 0.01 -0.00 5.55 1.02 0.72 -0.72 120.64 123.20 2avy n GLU 105 Ca -0.48 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2avy n GLU 105 Cb 0.85 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2avy n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avy n ALA 106 N -1.39 2.01 0.83 0.62 0.00 -1.12 -4.55 120.51 116.92 2avy n ALA 106 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2avy n ALA 106 Cb 0.01 -0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.83 2avy n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy n ALA 107 N -1.05 2.80 0.07 0.00 0.00 0.10 -3.64 120.51 118.80 2avy n ALA 107 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 2avy n ALA 107 Cb 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 2avy n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy h ARG 108 N 0.00 0.23 -0.11 0.00 3.08 -1.71 -3.26 114.38 112.60 2avy h ARG 108 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2avy h ARG 108 Cb 0.60 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2avy h ARG 108 CO 0.00 1.11 0.00 1.63 -1.07 0.00 0.00 179.97 181.64 2avy n LYS 109 N -3.45 1.38 -0.35 0.04 4.76 -1.24 -3.89 118.16 115.41 2avy n LYS 109 Ca -0.13 -0.58 -0.02 0.00 -2.87 0.00 0.00 58.31 54.71 2avy n LYS 109 Cb 1.03 -1.28 0.12 0.00 -1.84 0.00 0.00 35.03 33.07 2avy n LYS 109 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2avy h ARG 110 N 1.10 1.28 -4.39 1.97 2.47 -1.65 -3.47 114.38 111.68 2avy h ARG 110 Ca 0.00 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.46 2avy h ARG 110 Cb 0.24 -0.28 0.11 0.00 -1.65 0.00 0.00 29.97 28.40 2avy h ARG 110 CO 0.00 0.86 -0.50 0.41 0.56 0.00 0.00 179.97 181.30 2avy n GLY 111 N -1.34 -0.24 0.00 0.04 0.00 -1.25 -5.06 105.19 97.33 2avy n GLY 111 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2avy n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2avy n ASP 112 N -2.46 0.00 0.23 1.61 9.92 -1.26 -5.04 116.55 119.55 2avy n ASP 112 Ca -0.09 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.01 2avy n ASP 112 Cb 0.58 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.98 2avy n ASP 112 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2avy h LYS 113 N 0.00 -0.51 -1.53 -1.24 1.57 -1.97 -3.47 116.57 109.42 2avy h LYS 113 Ca 0.00 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2avy h LYS 113 Cb 0.00 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.19 2avy h LYS 113 CO 0.00 -0.34 0.56 -1.54 -0.57 0.00 0.00 179.45 177.56 2avy s SER 114 N -4.73 -0.36 0.37 0.86 1.04 -1.26 -4.99 113.70 104.62 2avy s SER 114 Ca -0.16 0.46 0.25 0.00 0.48 0.00 0.00 55.95 56.98 2avy s SER 114 Cb 0.05 0.39 1.28 0.00 0.10 0.00 0.00 66.02 67.83 2avy s SER 114 CO 0.64 -0.29 1.40 0.80 0.98 0.00 0.00 173.24 176.77 2avy n MET 115 N 1.00 -0.04 -0.15 4.02 0.00 -1.26 0.14 117.12 120.84 2avy n MET 115 Ca -0.10 1.17 -0.06 0.00 -0.00 0.00 0.00 57.70 58.71 2avy n MET 115 Cb 0.58 -2.21 0.03 0.00 0.00 0.00 0.00 33.22 31.61 2avy n MET 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2avy h ALA 116 N 1.57 0.59 0.07 -5.12 0.00 -1.96 -2.64 119.26 111.77 2avy h ALA 116 Ca 0.78 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.32 2avy h ALA 116 Cb 2.32 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 2avy h ALA 116 CO -0.53 -0.07 -2.13 -0.11 0.00 0.00 0.00 179.25 176.41 2avy n LEU 117 N -4.85 2.34 0.26 0.00 -0.00 0.33 -3.62 117.00 111.47 2avy n LEU 117 Ca 0.03 0.12 0.15 0.00 -0.00 0.00 0.00 56.01 56.31 2avy n LEU 117 Cb 0.09 -0.79 0.67 0.00 -0.00 0.00 0.00 43.42 43.39 2avy n LEU 117 CO 0.31 0.80 1.13 0.03 -0.00 0.00 0.00 177.39 179.66 2avy h ARG 118 N 0.04 0.00 0.01 1.96 3.08 0.13 0.10 114.38 119.69 2avy h ARG 118 Ca -0.46 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.40 2avy h ARG 118 Cb 2.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.03 2avy h ARG 118 CO 0.03 0.00 -1.04 1.25 -1.07 0.00 0.00 179.97 179.14 2avy h LEU 119 N 0.00 0.03 -0.34 3.04 7.12 -1.60 -3.35 115.31 120.20 2avy h LEU 119 Ca 0.06 -0.63 0.04 0.00 0.13 0.00 0.00 57.88 57.48 2avy h LEU 119 Cb 1.03 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.09 2avy h LEU 119 CO -0.00 1.41 -0.48 0.00 -0.13 0.00 0.00 178.44 179.24 2avy h ALA 120 N -0.36 -0.72 -0.87 1.25 0.00 -0.87 -1.12 119.26 116.56 2avy h ALA 120 Ca -0.28 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.85 2avy h ALA 120 Cb 1.29 1.07 -0.13 0.00 0.00 0.00 0.00 17.79 20.01 2avy h ALA 120 CO -0.15 -0.95 0.31 -0.91 0.00 0.00 0.00 179.25 177.55 2avy h ASN 121 N -0.35 0.16 -0.94 0.00 -0.26 -1.67 0.16 115.58 112.70 2avy h ASN 121 Ca 0.06 0.17 0.13 0.00 -0.56 0.00 0.00 56.30 56.10 2avy h ASN 121 Cb 0.51 0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.89 2avy h ASN 121 CO -0.51 -0.08 0.60 -0.08 -1.06 0.00 0.00 177.43 176.31 2avy h GLU 122 N 0.30 0.81 -0.43 0.81 4.57 -1.34 -0.38 114.58 118.92 2avy h GLU 122 Ca 0.55 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.67 2avy h GLU 122 Cb 1.07 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 2avy h GLU 122 CO -0.58 0.54 0.24 -0.07 -1.18 0.00 0.00 179.01 177.96 2avy h LEU 123 N 0.83 0.53 -1.24 1.64 -0.00 -0.77 0.51 115.31 116.81 2avy h LEU 123 Ca 0.47 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 58.22 2avy h LEU 123 Cb 0.60 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2avy h LEU 123 CO -0.23 0.45 -0.01 0.28 -0.00 0.00 0.00 178.44 178.93 2avy h SER 124 N 0.56 0.47 1.27 -0.43 0.02 -1.18 -1.21 113.55 113.05 2avy h SER 124 Ca 0.15 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2avy h SER 124 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2avy h SER 124 CO -0.03 0.55 -0.29 0.44 -1.14 0.00 0.00 176.83 176.37 2avy h ASP 125 N 0.49 0.00 0.40 3.07 3.32 -0.27 -2.60 116.42 120.82 2avy h ASP 125 Ca 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2avy h ASP 125 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2avy h ASP 125 CO 0.01 0.29 -0.19 0.00 -1.72 0.00 0.00 179.24 177.63 2avy h ALA 126 N 1.71 -0.99 0.00 3.45 0.00 0.13 0.66 119.26 124.22 2avy h ALA 126 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2avy h ALA 126 Cb 1.00 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2avy h ALA 126 CO 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 179.25 178.28 2avy h ALA 127 N -1.69 1.37 -0.66 0.00 0.00 -1.52 -0.33 119.26 116.44 2avy h ALA 127 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2avy h ALA 127 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2avy h ALA 127 CO 0.09 0.06 0.00 -1.91 0.00 0.00 0.00 179.25 177.49 2avy n GLU 128 N -3.69 3.55 -2.81 0.00 2.13 -0.98 -4.92 120.64 113.92 2avy n GLU 128 Ca -0.02 -2.85 -0.03 0.00 0.66 0.00 0.00 57.16 54.92 2avy n GLU 128 Cb 0.15 -1.83 -0.03 0.00 0.27 0.00 0.00 31.44 30.01 2avy n GLU 128 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2avy n ASN 129 N 1.21 -3.74 -3.52 4.31 4.13 0.18 -4.93 115.26 112.89 2avy n ASN 129 Ca 0.25 1.18 -0.08 0.00 1.68 0.00 0.00 54.58 57.61 2avy n ASN 129 Cb 0.84 -3.81 -0.02 0.00 -1.54 0.00 0.00 39.78 35.24 2avy n ASN 129 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2avy s LYS 130 N -0.53 0.74 0.12 3.52 2.20 0.15 -4.93 119.74 121.01 2avy s LYS 130 Ca -0.16 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2avy s LYS 130 Cb 0.01 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 2avy s LYS 130 CO 0.48 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 2avy n GLY 131 N -0.18 -2.16 0.24 5.54 0.00 -1.26 -3.63 105.19 103.74 2avy n GLY 131 Ca -0.08 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.61 2avy n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2avy h THR 132 N -0.33 1.07 -0.41 2.61 2.02 -1.94 -2.50 112.91 113.42 2avy h THR 132 Ca -0.02 -0.33 0.08 0.00 0.77 0.00 0.00 66.41 66.90 2avy h THR 132 Cb 0.32 1.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 2avy h THR 132 CO 0.01 0.09 -0.37 0.00 0.37 0.00 0.00 175.52 175.63 2avy h ALA 133 N 1.90 -0.27 -0.10 6.16 0.00 -1.76 0.87 119.26 126.06 2avy h ALA 133 Ca -0.00 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2avy h ALA 133 Cb 0.17 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2avy h ALA 133 CO 0.01 -0.78 -0.60 -0.24 0.00 0.00 0.00 179.25 177.64 2avy h VAL 134 N -0.28 1.37 0.73 0.00 3.04 -1.57 -3.27 116.25 116.27 2avy h VAL 134 Ca 0.16 -1.94 -0.03 0.00 -1.01 0.00 0.00 66.70 63.88 2avy h VAL 134 Cb 0.56 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2avy h VAL 134 CO -0.56 0.58 -0.50 0.50 -1.01 0.00 0.00 177.57 176.58 2avy h LYS 135 N 0.26 -1.13 -1.60 4.17 3.64 -0.53 -2.65 116.57 118.74 2avy h LYS 135 Ca -0.01 0.08 0.50 0.00 -1.27 0.00 0.00 60.65 59.95 2avy h LYS 135 Cb 1.12 0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 33.10 2avy h LYS 135 CO 0.10 -0.75 1.10 1.63 -2.27 0.00 0.00 179.45 179.26 2avy n LYS 136 N -5.62 -0.02 0.00 1.90 5.02 0.28 -0.97 118.16 118.76 2avy n LYS 136 Ca -0.14 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2avy n LYS 136 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 2avy n LYS 136 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2avy n ARG 137 N -4.19 0.00 -0.21 1.97 0.63 -1.00 -1.19 116.66 112.67 2avy n ARG 137 Ca 0.40 0.40 -0.01 0.00 -0.92 0.00 0.00 57.85 57.72 2avy n ARG 137 Cb 1.71 -1.32 0.21 0.00 0.45 0.00 0.00 32.46 33.50 2avy n ARG 137 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2avy h GLU 138 N 0.00 0.98 0.00 -0.14 4.39 -1.46 0.36 114.58 118.71 2avy h GLU 138 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2avy h GLU 138 Cb 0.00 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 2avy h GLU 138 CO 0.00 0.72 0.00 -0.25 -1.16 0.00 0.00 179.01 178.32 2avy n ASP 139 N -4.36 0.39 -0.10 1.42 10.43 -0.14 -0.23 116.55 123.95 2avy n ASP 139 Ca 0.07 0.67 -0.14 0.00 2.57 0.00 0.00 54.79 57.96 2avy n ASP 139 Cb 0.10 -0.73 -0.09 0.00 1.84 0.00 0.00 41.12 42.24 2avy n ASP 139 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2avy n VAL 140 N -2.01 1.12 0.29 2.53 0.31 -0.02 -4.44 118.33 116.11 2avy n VAL 140 Ca -0.01 -0.42 0.16 0.00 -0.01 0.00 0.00 64.34 64.07 2avy n VAL 140 Cb 0.04 -1.25 0.90 0.00 -0.91 0.00 0.00 33.84 32.62 2avy n VAL 140 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2avy h HIS 141 N -0.07 0.00 0.00 3.52 3.86 0.89 -1.64 115.15 121.72 2avy h HIS 141 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2avy h HIS 141 Cb 1.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.13 2avy h HIS 141 CO 0.01 0.04 0.00 -2.13 0.86 0.00 0.00 177.93 176.72 2avy n ARG 142 N -3.59 0.16 -0.01 2.45 0.63 0.68 -3.17 116.66 113.81 2avy n ARG 142 Ca -0.02 0.15 -0.02 0.00 -0.92 0.00 0.00 57.85 57.04 2avy n ARG 142 Cb 0.15 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.55 2avy n ARG 142 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 2avy n MET 143 N -1.21 0.10 -2.65 -0.14 2.81 -0.62 -4.56 117.12 110.85 2avy n MET 143 Ca 0.05 0.04 -0.36 0.00 -1.81 0.00 0.00 57.70 55.61 2avy n MET 143 Cb 0.06 -0.61 -0.05 0.00 -0.71 0.00 0.00 33.22 31.91 2avy n MET 143 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2avy s ALA 144 N -2.82 3.14 0.00 3.04 0.00 -1.19 -0.32 121.76 123.60 2avy s ALA 144 Ca -0.05 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2avy s ALA 144 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2avy s ALA 144 CO 0.08 -0.05 0.00 -1.91 0.00 0.00 0.00 175.76 173.88 2avy n GLU 145 N 0.13 0.00 0.00 0.00 4.07 -1.26 -4.45 120.64 119.14 2avy n GLU 145 Ca 0.04 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.20 2avy n GLU 145 Cb 0.50 -2.87 0.04 0.00 -0.06 0.00 0.00 31.44 29.05 2avy n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2avy n ALA 146 N 0.65 2.55 -2.73 4.31 0.00 -1.14 -4.52 120.51 119.63 2avy n ALA 146 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.83 2avy n ALA 146 Cb 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 19.45 19.13 2avy n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2avy n ASN 147 N 0.54 -0.19 0.00 0.00 3.02 0.56 -4.80 115.26 114.40 2avy n ASN 147 Ca 0.07 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 2avy n ASN 147 Cb 0.30 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 2avy n ASN 147 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2avy n LYS 148 N -0.90 0.00 -0.23 3.52 4.81 -1.26 -2.63 118.16 121.46 2avy n LYS 148 Ca -0.04 0.46 0.32 0.00 -0.87 0.00 0.00 58.31 58.17 2avy n LYS 148 Cb 0.84 -1.53 0.65 0.00 0.02 0.00 0.00 35.03 35.01 2avy n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2avy h ALA 149 N 1.86 2.92 0.00 3.14 0.00 -1.95 0.12 119.26 125.35 2avy h ALA 149 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2avy h ALA 149 Cb 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2avy h ALA 149 CO 0.00 -1.51 -1.82 1.19 0.00 0.00 0.00 179.25 177.11 2avy n PHE 150 N -3.68 0.00 0.00 0.00 3.01 -1.08 -5.14 117.46 110.57 2avy n PHE 150 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.69 2avy n PHE 150 Cb 1.30 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 40.20 2avy n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77