#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vea s GLU 6 N 0.00 0.75 -0.42 -1.58 2.02 -1.26 -5.04 118.70 113.18 1vea s GLU 6 Ca 0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 1vea s GLU 6 Cb 0.00 -0.72 0.23 0.00 0.10 0.00 0.00 34.13 33.74 1vea s GLU 6 CO 0.00 0.12 2.15 0.54 0.02 0.00 0.00 175.26 178.09 1vea n ARG 7 N 3.16 2.09 -2.76 1.61 1.74 -1.26 -4.87 116.66 116.38 1vea n ARG 7 Ca -0.16 -2.06 -0.42 0.00 -0.77 0.00 0.00 57.85 54.43 1vea n ARG 7 Cb 0.55 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1vea n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vea s ARG 8 N -2.23 3.27 0.25 5.56 0.52 -1.26 -4.35 118.95 120.71 1vea s ARG 8 Ca 0.42 -0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.23 1vea s ARG 8 Cb 0.32 -4.12 0.30 0.00 0.52 0.00 0.00 34.95 31.97 1vea s ARG 8 CO -0.05 -1.71 1.89 0.97 0.02 0.00 0.00 175.30 176.42 1vea h ILE 9 N 6.03 1.15 0.22 1.52 2.10 -1.96 -1.03 117.51 125.54 1vea h ILE 9 Ca -0.27 -0.40 -0.01 0.00 1.08 0.00 0.00 64.86 65.26 1vea h ILE 9 Cb 1.07 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1vea h ILE 9 CO 1.16 0.21 -0.10 1.23 -1.08 0.00 0.00 178.15 179.57 1vea h GLY 10 N 1.17 -0.30 0.36 8.18 0.00 -1.97 0.24 103.07 110.74 1vea h GLY 10 Ca 0.37 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.86 1vea h GLY 10 CO -0.12 -0.11 -0.18 -0.09 0.00 0.00 0.00 176.54 176.04 1vea h ARG 11 N -0.55 -0.19 -0.06 4.80 2.43 -1.96 -0.74 114.38 118.11 1vea h ARG 11 Ca -0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1vea h ARG 11 Cb 0.40 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1vea h ARG 11 CO 0.05 -0.13 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.19 1vea h LEU 12 N -0.20 -0.37 -0.70 3.80 3.38 -1.14 -1.17 115.31 118.91 1vea h LEU 12 Ca 0.11 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.29 1vea h LEU 12 Cb 0.37 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 1vea h LEU 12 CO -0.29 -0.17 0.17 -1.28 0.09 0.00 0.00 178.44 176.96 1vea h SER 13 N -0.18 0.02 -0.13 -0.43 0.87 0.08 0.14 113.55 113.93 1vea h SER 13 Ca 0.06 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1vea h SER 13 Cb 0.27 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1vea h SER 13 CO -0.17 -0.01 -0.13 0.58 -0.53 0.00 0.00 176.83 176.57 1vea h VAL 14 N 0.28 1.35 -0.78 2.23 2.07 -0.68 -1.97 116.25 118.76 1vea h VAL 14 Ca 0.38 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1vea h VAL 14 Cb 0.62 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 1vea h VAL 14 CO -0.47 0.37 0.47 -0.07 0.02 0.00 0.00 177.57 177.89 1vea h LEU 15 N -0.07 0.73 -0.48 2.57 3.38 -0.73 0.58 115.31 121.28 1vea h LEU 15 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1vea h LEU 15 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1vea h LEU 15 CO 0.03 0.47 0.32 0.25 0.09 0.00 0.00 178.44 179.60 1vea h LEU 16 N 0.86 0.54 -0.14 1.67 5.85 -0.93 -2.30 115.31 120.86 1vea h LEU 16 Ca 0.34 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1vea h LEU 16 Cb 0.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1vea h LEU 16 CO -0.17 0.39 0.08 0.25 -0.34 0.00 0.00 178.44 178.65 1vea h LEU 17 N 0.65 0.17 0.00 2.25 5.85 -0.41 -3.18 115.31 120.64 1vea h LEU 17 Ca 0.18 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1vea h LEU 17 Cb -0.07 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1vea h LEU 17 CO -0.04 0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1vea n LEU 18 N -4.94 0.00 -4.02 2.25 4.77 0.19 -4.67 117.00 110.57 1vea n LEU 18 Ca -0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 1vea n LEU 18 Cb 0.07 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 1vea n LEU 18 CO 0.34 0.00 -0.39 0.20 -1.33 0.00 0.00 177.39 176.21 1vea s ASN 19 N -1.37 4.52 -0.04 -1.43 0.02 -0.90 -4.93 114.94 110.81 1vea s ASN 19 Ca 0.14 -1.74 0.02 0.00 -1.02 0.00 0.00 52.86 50.26 1vea s ASN 19 Cb 0.06 -1.52 0.14 0.00 0.02 0.00 0.00 41.25 39.95 1vea s ASN 19 CO 0.10 -0.29 0.74 -0.62 0.02 0.00 0.00 177.10 177.05 1vea n GLU 20 N 4.39 1.64 -3.96 -0.60 1.02 -1.26 -4.62 120.64 117.24 1vea n GLU 20 Ca -0.05 -0.53 -0.34 0.00 -0.02 0.00 0.00 57.16 56.22 1vea n GLU 20 Cb 0.42 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.10 1vea n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vea s ALA 21 N -1.33 2.74 -0.95 0.62 0.00 -1.26 -4.82 121.76 116.75 1vea s ALA 21 Ca 0.09 -1.76 -0.10 0.00 0.00 0.00 0.00 51.96 50.19 1vea s ALA 21 Cb 0.07 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.36 1vea s ALA 21 CO 0.03 -1.25 0.71 0.39 0.00 0.00 0.00 175.76 175.64 1vea n GLU 22 N 4.56 -1.30 0.26 0.00 -0.58 -1.26 -4.81 120.64 117.51 1vea n GLU 22 Ca -0.13 0.78 0.15 0.00 -0.42 0.00 0.00 57.16 57.54 1vea n GLU 22 Cb 0.43 -3.94 0.63 0.00 -0.57 0.00 0.00 31.44 27.99 1vea n GLU 22 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1vea h GLU 23 N -0.88 0.00 -0.11 3.49 4.11 -1.88 -2.15 114.58 117.17 1vea h GLU 23 Ca -0.50 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.98 1vea h GLU 23 Cb 1.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1vea h GLU 23 CO 0.41 0.09 -0.26 1.03 0.07 0.00 0.00 179.01 180.34 1vea h SER 24 N 0.00 -0.81 0.73 3.06 0.87 -1.97 0.81 113.55 116.25 1vea h SER 24 Ca -0.00 0.12 -0.26 0.00 -1.23 0.00 0.00 61.79 60.43 1vea h SER 24 Cb 0.56 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1vea h SER 24 CO 0.01 -0.31 -1.20 0.71 -0.53 0.00 0.00 176.83 175.51 1vea h THR 25 N -0.34 1.53 0.00 2.23 1.35 -1.85 -2.66 112.91 113.17 1vea h THR 25 Ca 0.09 -3.15 -0.08 0.00 -0.55 0.00 0.00 66.41 62.72 1vea h THR 25 Cb 0.48 2.89 -0.01 0.00 -1.73 0.00 0.00 68.15 69.78 1vea h THR 25 CO -0.30 0.91 -0.37 -0.61 -0.25 0.00 0.00 175.52 174.90 1vea h GLN 26 N 0.05 0.00 0.01 4.72 4.15 -1.11 -2.01 115.11 120.93 1vea h GLN 26 Ca -0.11 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 1vea h GLN 26 Cb 1.91 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.61 1vea h GLN 26 CO 0.18 0.37 -0.32 0.28 -1.93 0.00 0.00 178.83 177.40 1vea h VAL 27 N 0.00 1.56 -0.68 2.39 2.07 0.62 -3.23 116.25 118.97 1vea h VAL 27 Ca -0.00 -2.07 0.05 0.00 0.82 0.00 0.00 66.70 65.50 1vea h VAL 27 Cb 0.67 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 1vea h VAL 27 CO 0.05 0.57 0.45 -0.33 0.02 0.00 0.00 177.57 178.33 1vea h GLU 28 N -0.50 0.73 -0.11 1.57 5.08 -1.28 0.18 114.58 120.25 1vea h GLU 28 Ca -0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1vea h GLU 28 Cb 1.11 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1vea h GLU 28 CO 0.06 0.48 -0.22 0.93 -1.00 0.00 0.00 179.01 179.27 1vea h GLU 29 N 0.75 0.19 0.02 2.33 5.08 -1.45 0.10 114.58 121.59 1vea h GLU 29 Ca 0.29 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1vea h GLU 29 Cb 0.18 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1vea h GLU 29 CO -0.09 0.41 -0.57 -0.07 -1.00 0.00 0.00 179.01 177.69 1vea h LEU 30 N 0.18 0.47 -1.11 1.33 4.07 -1.18 -2.86 115.31 116.20 1vea h LEU 30 Ca 0.03 -0.79 -0.05 0.00 0.08 0.00 0.00 57.88 57.15 1vea h LEU 30 Cb 0.49 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1vea h LEU 30 CO 0.03 1.20 0.09 -0.33 -1.08 0.00 0.00 178.44 178.35 1vea h GLU 31 N -0.21 0.72 0.00 1.13 5.08 -0.84 -0.92 114.58 119.53 1vea h GLU 31 Ca -0.08 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1vea h GLU 31 Cb 1.31 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1vea h GLU 31 CO 0.11 0.67 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.68 1vea h ARG 32 N 0.69 0.00 -0.81 2.33 2.43 -0.83 -2.99 114.38 115.20 1vea h ARG 32 Ca 0.15 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.90 1vea h ARG 32 Cb 0.30 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 29.60 1vea h ARG 32 CO 0.00 0.02 0.44 -3.47 -1.51 0.00 0.00 179.97 175.45 1vea n ASP 33 N -3.13 3.42 0.00 -3.80 -0.08 -0.47 -4.91 116.55 107.57 1vea n ASP 33 Ca -0.00 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1vea n ASP 33 Cb 0.28 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1vea n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vea n GLY 34 N -1.12 1.55 3.84 0.27 0.00 -1.13 -5.01 105.19 103.59 1vea n GLY 34 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.20 1vea n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vea s TRP 35 N -3.38 3.54 -0.20 1.61 0.52 -0.49 -4.72 118.94 115.81 1vea s TRP 35 Ca 0.00 1.18 -0.07 0.00 0.02 0.00 0.00 56.10 57.23 1vea s TRP 35 Cb 0.00 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1vea s TRP 35 CO 0.00 0.30 0.05 0.15 0.02 0.00 0.00 176.95 177.46 1vea s LYS 36 N -2.33 3.82 0.55 4.98 -0.14 0.28 -3.67 119.74 123.22 1vea s LYS 36 Ca 0.45 -0.42 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 1vea s LYS 36 Cb -0.14 -3.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1vea s LYS 36 CO 0.20 0.12 0.30 0.08 -0.76 0.00 0.00 175.35 175.29 1vea s VAL 37 N 0.76 1.45 0.00 3.17 1.01 -1.26 -1.36 120.40 124.16 1vea s VAL 37 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1vea s VAL 37 Cb -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1vea s VAL 37 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.12 1vea s LEU 39 N 0.00 2.22 0.00 0.00 1.02 -1.26 -0.41 118.68 120.25 1vea s LEU 39 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 54.13 52.56 1vea s LEU 39 Cb 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 46.19 45.75 1vea s LEU 39 CO 0.00 -0.81 0.00 0.61 0.02 0.00 0.00 176.35 176.17 1vea n GLY 40 N -1.02 -0.63 3.32 -3.19 0.00 -1.20 -4.97 105.19 97.51 1vea n GLY 40 Ca -0.10 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1vea n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vea s LYS 41 N -0.90 1.04 -0.17 1.61 1.02 -1.26 -2.48 119.74 118.60 1vea s LYS 41 Ca 0.00 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 1vea s LYS 41 Cb 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 37.83 37.82 1vea s LYS 41 CO 0.00 -0.40 0.43 0.08 -0.92 0.00 0.00 175.35 174.54 1vea s VAL 42 N -3.52 -0.01 -1.51 3.17 1.01 0.91 -4.99 120.40 115.46 1vea s VAL 42 Ca 0.01 0.04 0.16 0.00 0.00 0.00 0.00 61.98 62.19 1vea s VAL 42 Cb 0.01 -0.62 0.57 0.00 0.00 0.00 0.00 36.38 36.34 1vea s VAL 42 CO -0.10 0.02 1.46 0.61 0.00 0.00 0.00 175.10 177.09 1vea n GLY 43 N 3.45 2.07 3.28 4.51 0.00 -1.26 -0.44 105.19 116.80 1vea n GLY 43 Ca -0.17 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1vea n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vea s SER 44 N -0.89 2.68 0.00 1.61 0.15 -1.26 -4.18 113.70 111.82 1vea s SER 44 Ca 0.41 -0.56 0.16 0.00 0.70 0.00 0.00 55.95 56.66 1vea s SER 44 Cb 0.25 -0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1vea s SER 44 CO 0.23 0.18 0.78 0.80 1.20 0.00 0.00 173.24 176.43 1vea n MET 45 N 1.76 1.78 -1.71 5.44 1.56 -1.26 -4.67 117.12 120.01 1vea n MET 45 Ca -0.17 -0.53 -0.42 0.00 -0.27 0.00 0.00 57.70 56.31 1vea n MET 45 Cb 0.53 -1.26 -0.03 0.00 2.15 0.00 0.00 33.22 34.61 1vea n MET 45 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1vea s ASP 46 N -2.09 6.41 0.15 6.12 2.15 -1.26 -4.86 116.67 123.30 1vea s ASP 46 Ca 0.11 2.78 -0.29 0.00 0.43 0.00 0.00 52.55 55.58 1vea s ASP 46 Cb 0.12 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1vea s ASP 46 CO 0.48 -1.00 1.56 0.00 -0.17 0.00 0.00 175.17 176.04 1vea h ALA 47 N 8.32 -0.52 -0.31 3.66 0.00 -1.99 0.13 119.26 128.54 1vea h ALA 47 Ca -0.46 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1vea h ALA 47 Cb 1.22 0.98 -0.08 0.00 0.00 0.00 0.00 17.79 19.91 1vea h ALA 47 CO 0.95 -0.92 -0.30 1.25 0.00 0.00 0.00 179.25 180.24 1vea h HIS 48 N -0.33 -0.81 -0.90 0.00 6.17 -1.99 0.40 115.15 117.69 1vea h HIS 48 Ca 0.13 0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.31 1vea h HIS 48 Cb 0.59 0.40 -0.06 0.00 2.52 0.00 0.00 27.41 30.86 1vea h HIS 48 CO -0.67 -0.36 0.57 0.87 0.71 0.00 0.00 177.93 179.04 1vea h LYS 49 N -0.27 1.02 -0.04 5.26 1.57 -1.71 -2.03 116.57 120.37 1vea h LYS 49 Ca 0.15 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1vea h LYS 49 Cb 0.52 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1vea h LYS 49 CO -0.47 0.67 -0.57 0.28 -0.57 0.00 0.00 179.45 178.80 1vea h VAL 50 N 1.05 1.40 0.00 0.50 2.07 0.17 -2.27 116.25 119.16 1vea h VAL 50 Ca 0.39 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1vea h VAL 50 Cb 0.14 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1vea h VAL 50 CO -0.16 0.58 0.00 0.16 0.02 0.00 0.00 177.57 178.17 1vea h ILE 51 N -0.02 0.00 0.06 4.57 -0.00 -0.91 -1.49 117.51 119.72 1vea h ILE 51 Ca -0.06 -0.46 -0.00 0.00 -0.00 0.00 0.00 64.86 64.34 1vea h ILE 51 Cb 1.25 1.39 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 1vea h ILE 51 CO 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 178.15 178.23 1vea h ALA 52 N 2.08 -0.08 -0.53 0.16 0.00 -1.36 -1.86 119.26 117.68 1vea h ALA 52 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1vea h ALA 52 Cb 0.49 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1vea h ALA 52 CO 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.19 1vea h ALA 53 N -0.48 0.54 0.07 0.00 0.00 -1.27 -1.45 119.26 116.68 1vea h ALA 53 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vea h ALA 53 Cb 0.49 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vea h ALA 53 CO 0.01 -0.36 -0.03 0.82 0.00 0.00 0.00 179.25 179.69 1vea h ILE 54 N 0.16 1.16 -0.84 0.00 2.04 -1.39 -0.69 117.51 117.96 1vea h ILE 54 Ca 0.27 -0.80 0.16 0.00 1.00 0.00 0.00 64.86 65.48 1vea h ILE 54 Cb 0.40 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 38.06 1vea h ILE 54 CO -0.41 0.20 0.41 -0.08 0.00 0.00 0.00 178.15 178.27 1vea h GLU 55 N -0.45 0.55 0.28 2.37 4.81 -1.07 -0.90 114.58 120.17 1vea h GLU 55 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1vea h GLU 55 Cb 0.39 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1vea h GLU 55 CO 0.02 0.36 -0.14 1.15 -0.73 0.00 0.00 179.01 179.67 1vea h THR 56 N 0.56 0.00 -0.44 0.32 2.02 -1.18 -2.06 112.91 112.13 1vea h THR 56 Ca 0.47 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.70 1vea h THR 56 Cb 0.70 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1vea h THR 56 CO -0.39 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.05 1vea h ALA 57 N -1.75 2.14 0.16 6.16 0.00 -1.00 -1.71 119.26 123.27 1vea h ALA 57 Ca -0.04 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1vea h ALA 57 Cb 0.29 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1vea h ALA 57 CO 0.06 -0.77 -1.54 0.77 0.00 0.00 0.00 179.25 177.77 1vea h SER 58 N 0.00 0.54 -0.32 0.00 0.02 -1.09 -3.18 113.55 109.51 1vea h SER 58 Ca 0.21 -0.69 -0.15 0.00 -0.84 0.00 0.00 61.79 60.32 1vea h SER 58 Cb 1.30 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 1vea h SER 58 CO -0.00 1.57 -0.37 0.11 -1.14 0.00 0.00 176.83 177.00 1vea h LYS 59 N 0.09 0.82 -0.01 3.45 1.57 -0.57 -1.39 116.57 120.53 1vea h LYS 59 Ca -0.25 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.04 1vea h LYS 59 Cb 2.06 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.39 1vea h LYS 59 CO 0.19 1.08 -0.15 1.57 -0.57 0.00 0.00 179.45 181.58 1vea h LYS 60 N 0.59 0.01 0.00 3.15 5.09 -1.60 -2.55 116.57 121.27 1vea h LYS 60 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1vea h LYS 60 Cb 0.96 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 1vea h LYS 60 CO 0.09 0.16 -0.42 0.43 -2.09 0.00 0.00 179.45 177.62 1vea n SER 61 N -4.35 0.42 0.00 7.07 7.64 -1.15 -4.94 113.62 118.31 1vea n SER 61 Ca -0.02 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1vea n SER 61 Cb 0.22 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1vea n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vea n GLY 62 N 1.50 0.77 0.21 0.23 0.00 -0.96 -4.89 105.19 102.05 1vea n GLY 62 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1vea n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vea h VAL 63 N 0.00 1.16 -2.69 1.61 2.07 -1.50 -3.43 116.25 113.47 1vea h VAL 63 Ca 0.00 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1vea h VAL 63 Cb 0.00 1.47 -0.24 0.00 -1.52 0.00 0.00 31.29 30.99 1vea h VAL 63 CO 0.00 0.24 -0.23 0.27 0.02 0.00 0.00 177.57 177.88 1vea s ILE 64 N -4.46 -0.00 0.07 4.57 -4.36 -1.22 -4.85 121.20 110.95 1vea s ILE 64 Ca -0.03 0.02 -0.30 0.00 -0.26 0.00 0.00 60.65 60.07 1vea s ILE 64 Cb 0.15 -0.60 -0.05 0.00 1.25 0.00 0.00 42.46 43.21 1vea s ILE 64 CO 0.70 0.01 0.99 0.00 0.24 0.00 0.00 174.94 176.88 1vea s GLN 65 N 0.43 4.62 0.00 0.37 -2.07 -1.26 -4.32 119.66 117.43 1vea s GLN 65 Ca -0.02 1.47 0.10 0.00 -1.82 0.00 0.00 55.36 55.10 1vea s GLN 65 Cb -0.04 -3.40 0.61 0.00 -1.09 0.00 0.00 33.01 29.09 1vea s GLN 65 CO -0.02 0.07 1.39 -1.13 -1.32 0.00 0.00 175.29 174.29 1vea n SER 66 N 3.26 0.00 -0.37 12.60 3.41 -1.26 -4.28 113.62 126.99 1vea n SER 66 Ca 0.04 -1.67 0.34 0.00 -0.26 0.00 0.00 58.87 57.32 1vea n SER 66 Cb 0.50 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.13 1vea n SER 66 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1vea h GLU 67 N 0.00 0.11 0.00 4.33 4.39 -2.02 -3.45 114.58 117.93 1vea h GLU 67 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1vea h GLU 67 Cb 0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1vea h GLU 67 CO 0.00 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 1vea n GLY 68 N -1.68 3.83 0.00 -3.84 0.00 -1.26 -5.08 105.19 97.16 1vea n GLY 68 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vea n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vea n TYR 69 N 0.00 0.00 -0.11 1.61 4.01 -1.26 -4.71 117.16 116.70 1vea n TYR 69 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1vea n TYR 69 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1vea n TYR 69 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1vea h ARG 70 N 0.00 -0.40 0.00 -0.72 2.43 -1.98 0.48 114.38 114.18 1vea h ARG 70 Ca 0.00 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1vea h ARG 70 Cb 0.94 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1vea h ARG 70 CO 0.00 -0.27 -0.23 0.93 -1.51 0.00 0.00 179.97 178.90 1vea h GLU 71 N -0.42 0.00 -0.05 0.20 5.08 -1.89 -1.41 114.58 116.10 1vea h GLU 71 Ca 0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1vea h GLU 71 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1vea h GLU 71 CO -0.55 0.23 -0.81 0.77 -1.00 0.00 0.00 179.01 177.64 1vea h SER 72 N 0.00 0.50 -0.14 1.42 0.02 -1.60 -2.94 113.55 110.81 1vea h SER 72 Ca -0.00 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 1vea h SER 72 Cb 0.42 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1vea h SER 72 CO 0.03 1.12 -0.30 0.45 -1.14 0.00 0.00 176.83 176.99 1vea h HIS 73 N 0.26 0.72 -0.19 3.45 3.86 0.54 -2.18 115.15 121.60 1vea h HIS 73 Ca -0.05 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 58.88 1vea h HIS 73 Cb 1.41 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1vea h HIS 73 CO 0.05 0.85 -0.35 0.00 0.86 0.00 0.00 177.93 179.34 1vea h ALA 74 N 1.14 1.05 -0.31 2.45 0.00 -1.26 -2.98 119.26 119.34 1vea h ALA 74 Ca 0.06 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1vea h ALA 74 Cb 0.79 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1vea h ALA 74 CO 0.06 0.59 -0.47 1.25 0.00 0.00 0.00 179.25 180.69 1vea h LEU 75 N 0.35 0.90 0.03 0.00 5.85 -1.32 -2.94 115.31 118.16 1vea h LEU 75 Ca 0.04 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1vea h LEU 75 Cb 0.78 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1vea h LEU 75 CO 0.06 1.22 -0.01 0.22 -0.34 0.00 0.00 178.44 179.59 1vea h TYR 76 N 0.66 -0.03 -0.86 1.25 3.20 -1.27 -0.47 116.97 119.44 1vea h TYR 76 Ca 0.04 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1vea h TYR 76 Cb 1.05 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1vea h TYR 76 CO 0.06 -0.01 0.53 0.45 -1.64 0.00 0.00 178.16 177.55 1vea h HIS 77 N -0.05 1.12 -0.51 -3.82 3.86 -1.59 0.11 115.15 114.27 1vea h HIS 77 Ca -0.00 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1vea h HIS 77 Cb 0.04 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1vea h HIS 77 CO -0.07 0.73 0.05 0.00 0.86 0.00 0.00 177.93 179.50 1vea h ALA 78 N 1.40 0.68 -0.38 2.45 0.00 -1.32 -1.96 119.26 120.14 1vea h ALA 78 Ca 0.31 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1vea h ALA 78 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1vea h ALA 78 CO -0.06 0.45 -0.25 1.15 0.00 0.00 0.00 179.25 180.54 1vea h THR 79 N 0.74 1.27 -0.30 0.00 2.02 -0.47 -2.27 112.91 113.90 1vea h THR 79 Ca 0.15 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 1vea h THR 79 Cb 0.45 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1vea h THR 79 CO 0.02 0.46 -0.04 0.24 0.37 0.00 0.00 175.52 176.56 1vea h MET 80 N 0.67 0.56 -0.41 6.66 2.86 -0.68 0.33 114.93 124.92 1vea h MET 80 Ca 0.09 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1vea h MET 80 Cb 0.77 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1vea h MET 80 CO 0.06 0.74 0.27 1.49 1.06 0.00 0.00 176.91 180.53 1vea h GLU 81 N 0.34 0.55 -0.27 1.72 4.81 -1.30 1.80 114.58 122.23 1vea h GLU 81 Ca 0.08 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1vea h GLU 81 Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1vea h GLU 81 CO 0.02 0.37 -0.07 0.00 -0.73 0.00 0.00 179.01 178.60 1vea h ALA 82 N 1.14 1.39 0.19 2.92 0.00 -1.20 -2.30 119.26 121.40 1vea h ALA 82 Ca 0.15 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 1vea h ALA 82 Cb -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1vea h ALA 82 CO -0.03 0.42 -1.36 1.25 0.00 0.00 0.00 179.25 179.53 1vea h LEU 83 N 0.40 0.87 -2.32 0.00 5.85 0.51 -2.15 115.31 118.48 1vea h LEU 83 Ca 0.08 -0.87 0.01 0.00 0.84 0.00 0.00 57.88 57.95 1vea h LEU 83 Cb 0.38 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1vea h LEU 83 CO 0.02 1.67 0.22 0.45 -0.34 0.00 0.00 178.44 180.46 1vea h HIS 84 N 0.22 0.00 0.08 1.25 3.86 0.31 0.13 115.15 121.01 1vea h HIS 84 Ca -0.22 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.62 1vea h HIS 84 Cb 2.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.48 1vea h HIS 84 CO 0.12 0.00 -2.14 0.41 0.86 0.00 0.00 177.93 177.18 1vea n GLY 85 N -1.21 -0.52 0.19 2.45 0.00 -0.90 -4.15 105.19 101.06 1vea n GLY 85 Ca -0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1vea n GLY 85 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vea h VAL 86 N 0.05 1.01 -0.39 1.61 2.07 -0.32 -2.20 116.25 118.08 1vea h VAL 86 Ca -0.47 -0.17 -0.71 0.00 0.82 0.00 0.00 66.70 66.17 1vea h VAL 86 Cb 2.00 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1vea h VAL 86 CO 0.04 0.09 3.10 0.35 0.02 0.00 0.00 177.57 181.17 1vea n THR 87 N -4.86 4.13 0.00 2.57 -2.24 0.27 -4.65 114.28 109.50 1vea n THR 87 Ca 0.03 -3.28 0.00 0.00 -2.27 0.00 0.00 64.05 58.53 1vea n THR 87 Cb 0.09 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 65.82 1vea n THR 87 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1vea n ARG 88 N 4.30 0.00 0.00 -0.78 0.63 -0.83 -4.84 116.66 115.14 1vea n ARG 88 Ca 0.60 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1vea n ARG 88 Cb 0.31 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.68 1vea n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vea n GLY 89 N -0.07 -0.60 0.00 5.14 0.00 -1.26 -4.79 105.19 103.60 1vea n GLY 89 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1vea n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vea n GLU 90 N -2.49 0.28 -0.66 1.61 2.13 -1.26 0.82 120.64 121.07 1vea n GLU 90 Ca 0.00 0.10 0.08 0.00 0.66 0.00 0.00 57.16 58.00 1vea n GLU 90 Cb 0.00 -1.50 0.35 0.00 0.27 0.00 0.00 31.44 30.56 1vea n GLU 90 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1vea n MET 91 N -1.18 3.95 -0.01 5.31 2.81 -1.26 -3.07 117.12 123.67 1vea n MET 91 Ca 0.08 -2.93 0.06 0.00 -1.81 0.00 0.00 57.70 53.10 1vea n MET 91 Cb 0.08 -1.97 -0.10 0.00 -0.71 0.00 0.00 33.22 30.53 1vea n MET 91 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1vea n LEU 92 N 0.74 0.00 -0.03 4.03 4.77 0.24 -4.36 117.00 122.39 1vea n LEU 92 Ca 0.25 -0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1vea n LEU 92 Cb 0.96 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.91 1vea n LEU 92 CO 0.25 0.00 -0.91 -0.11 -1.33 0.00 0.00 177.39 175.29 1vea n LEU 93 N -1.94 2.36 -4.56 2.23 7.94 -1.23 -4.62 117.00 117.19 1vea n LEU 93 Ca -0.02 0.15 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 1vea n LEU 93 Cb 0.33 -0.83 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 1vea n LEU 93 CO 0.27 0.80 1.40 -0.83 -1.11 0.00 0.00 177.39 177.91 1vea s GLY 94 N -5.72 0.85 -0.49 -3.96 0.00 -1.18 -4.71 107.32 92.12 1vea s GLY 94 Ca -0.22 -1.77 0.06 0.00 0.00 0.00 0.00 44.72 42.79 1vea s GLY 94 CO 0.74 2.93 0.83 -1.14 0.00 0.00 0.00 173.10 176.45 1vea n SER 95 N 10.47 -2.79 -2.83 1.64 3.41 -1.26 -4.81 113.62 117.44 1vea n SER 95 Ca 0.27 -3.18 -0.15 0.00 -0.26 0.00 0.00 58.87 55.55 1vea n SER 95 Cb 0.50 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 1vea n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vea n LEU 96 N 1.91 1.85 -3.98 1.04 4.77 -1.26 -4.92 117.00 116.41 1vea n LEU 96 Ca 0.12 -4.46 -0.31 0.00 -0.03 0.00 0.00 56.01 51.33 1vea n LEU 96 Cb 0.61 0.35 0.01 0.00 -2.33 0.00 0.00 43.42 42.06 1vea n LEU 96 CO 0.04 1.94 0.05 0.18 -1.33 0.00 0.00 177.39 178.27 1vea n LEU 97 N -0.01 -2.38 0.00 2.23 4.32 -1.26 -4.94 117.00 114.96 1vea n LEU 97 Ca 0.19 -0.84 -0.24 0.00 -0.02 0.00 0.00 56.01 55.10 1vea n LEU 97 Cb 0.72 -2.44 0.19 0.00 -1.62 0.00 0.00 43.42 40.27 1vea n LEU 97 CO 0.26 0.42 0.57 -1.14 -1.22 0.00 0.00 177.39 176.29 1vea n ARG 98 N -4.58 -2.15 -3.98 3.23 3.00 -1.26 -5.04 116.66 105.87 1vea n ARG 98 Ca 0.01 -1.51 -0.35 0.00 -0.00 0.00 0.00 57.85 56.01 1vea n ARG 98 Cb 0.53 -1.25 -0.10 0.00 0.00 0.00 0.00 32.46 31.64 1vea n ARG 98 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1vea s THR 99 N -2.88 4.72 -0.01 5.15 -1.32 -1.26 -5.00 115.64 115.04 1vea s THR 99 Ca 0.59 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 61.04 1vea s THR 99 Cb -0.04 -3.14 -0.00 0.00 -1.51 0.00 0.00 72.50 67.81 1vea s THR 99 CO 0.44 0.44 -0.08 0.68 -2.21 0.00 0.00 174.62 173.89 1vea s VAL 100 N 0.55 0.63 -0.48 5.08 -7.23 -1.26 -0.60 120.40 117.09 1vea s VAL 100 Ca 0.03 -0.33 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1vea s VAL 100 Cb -0.13 -0.53 0.15 0.00 0.56 0.00 0.00 36.38 36.43 1vea s VAL 100 CO 0.01 0.18 0.31 -0.83 -0.31 0.00 0.00 175.10 174.47 1vea s GLY 101 N -0.10 1.73 0.07 2.32 0.00 -0.61 -4.10 107.32 106.63 1vea s GLY 101 Ca 0.02 -2.74 -0.22 0.00 0.00 0.00 0.00 44.72 41.78 1vea s GLY 101 CO -0.00 1.65 0.64 1.08 0.00 0.00 0.00 173.10 176.47 1vea s LEU 102 N -0.02 4.51 0.08 0.66 1.43 0.42 -2.81 118.68 122.94 1vea s LEU 102 Ca 0.23 1.34 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 1vea s LEU 102 Cb -0.13 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1vea s LEU 102 CO -0.08 0.19 -0.26 -0.60 0.23 0.00 0.00 176.35 175.83 1vea s ARG 103 N -0.79 1.63 0.37 1.70 3.52 0.12 -0.06 118.95 125.43 1vea s ARG 103 Ca 0.32 -1.19 0.07 0.00 -0.13 0.00 0.00 55.73 54.80 1vea s ARG 103 Cb -0.20 -1.92 -0.03 0.00 -1.56 0.00 0.00 34.95 31.24 1vea s ARG 103 CO 0.21 0.48 0.25 -0.59 -0.81 0.00 0.00 175.30 174.84 1vea s PHE 104 N -0.90 1.80 -0.20 5.12 -0.12 -1.03 -0.47 117.98 122.18 1vea s PHE 104 Ca 0.12 -1.60 -0.23 0.00 -0.05 0.00 0.00 56.93 55.18 1vea s PHE 104 Cb -0.10 -0.85 0.06 0.00 -0.63 0.00 0.00 43.02 41.50 1vea s PHE 104 CO 0.03 -0.74 0.62 0.00 -0.05 0.00 0.00 175.22 175.09 1vea s ALA 105 N -3.32 -1.55 -0.03 1.99 0.00 -1.00 -3.24 121.76 114.60 1vea s ALA 105 Ca 0.35 1.64 0.02 0.00 0.00 0.00 0.00 51.96 53.97 1vea s ALA 105 Cb 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1vea s ALA 105 CO 0.25 -0.31 -0.06 0.08 0.00 0.00 0.00 175.76 175.72 1vea s VAL 106 N 0.03 0.62 -0.02 0.00 1.01 0.45 -2.14 120.40 120.35 1vea s VAL 106 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1vea s VAL 106 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1vea s VAL 106 CO 0.02 0.22 -0.18 -0.22 0.00 0.00 0.00 175.10 174.95 1vea s LEU 107 N 0.54 2.02 -0.02 3.92 2.96 -0.38 -2.44 118.68 125.28 1vea s LEU 107 Ca -0.08 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1vea s LEU 107 Cb -0.11 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.68 1vea s LEU 107 CO 0.00 0.21 0.02 -0.60 -1.32 0.00 0.00 176.35 174.67 1vea s ARG 108 N -0.38 -0.02 0.00 1.98 3.00 -0.46 -0.44 118.95 122.62 1vea s ARG 108 Ca 0.06 0.16 0.00 0.00 -1.00 0.00 0.00 55.73 54.95 1vea s ARG 108 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 34.95 34.65 1vea s ARG 108 CO -0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.30 175.56 1vea n GLY 109 N 4.03 -0.76 2.83 8.12 0.00 -1.03 -0.56 105.19 117.82 1vea n GLY 109 Ca -0.26 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1vea n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1vea s ASN 110 N -4.00 4.13 -0.44 1.61 3.04 -1.26 -0.07 114.94 117.95 1vea s ASN 110 Ca 0.00 -1.66 -0.28 0.00 0.04 0.00 0.00 52.86 50.96 1vea s ASN 110 Cb 0.00 -1.08 -0.29 0.00 -1.54 0.00 0.00 41.25 38.35 1vea s ASN 110 CO 0.00 -0.38 1.78 -2.65 -3.04 0.00 0.00 177.10 172.81 1vea n PRO 111 N 4.69 0.47 -0.05 0.43 -0.02 -1.26 -4.73 135.00 134.53 1vea n PRO 111 Ca -0.02 -1.41 -0.01 0.00 -2.02 0.00 0.00 63.50 60.03 1vea n PRO 111 Cb 0.43 -2.92 -0.01 0.00 -0.02 0.00 0.00 33.50 30.97 1vea n PRO 111 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1vea n TYR 112 N 10.86 -0.05 0.00 6.00 4.19 -1.26 -4.87 117.16 132.03 1vea n TYR 112 Ca 0.46 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.82 1vea n TYR 112 Cb 0.43 -0.31 0.00 0.00 0.49 0.00 0.00 39.34 39.95 1vea n TYR 112 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1vea n GLU 113 N -3.01 0.00 -0.04 2.98 -0.00 -1.26 -3.30 120.64 116.01 1vea n GLU 113 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.11 1vea n GLU 113 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.43 1vea n GLU 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1vea n SER 114 N 6.60 3.34 -4.77 -1.84 3.41 -1.26 -5.02 113.62 114.07 1vea n SER 114 Ca 0.00 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.21 1vea n SER 114 Cb 0.00 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1vea n SER 114 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1vea s GLU 115 N -2.17 4.04 -1.21 4.33 8.01 -1.21 -5.00 118.70 125.49 1vea s GLU 115 Ca -0.09 0.05 -0.06 0.00 0.01 0.00 0.00 54.97 54.88 1vea s GLU 115 Cb 0.03 -3.35 0.22 0.00 -4.31 0.00 0.00 34.13 26.71 1vea s GLU 115 CO 0.22 0.42 1.83 0.00 0.01 0.00 0.00 175.26 177.75 1vea n ALA 116 N 2.99 5.60 0.32 5.21 0.00 -1.26 -4.70 120.51 128.67 1vea n ALA 116 Ca -0.14 -4.46 0.20 0.00 0.00 0.00 0.00 53.44 49.04 1vea n ALA 116 Cb 0.53 -2.69 1.09 0.00 0.00 0.00 0.00 19.45 18.37 1vea n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vea h GLU 117 N 5.34 0.00 0.00 0.00 3.07 -1.95 -3.47 114.58 117.58 1vea h GLU 117 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1vea h GLU 117 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1vea h GLU 117 CO 1.48 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 179.50 1vea n GLY 118 N -1.17 -0.35 3.20 -3.84 0.00 -1.26 -5.13 105.19 96.64 1vea n GLY 118 Ca -0.02 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1vea n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vea s ASP 119 N -4.00 2.26 0.50 1.61 1.11 -1.26 -4.68 116.67 112.20 1vea s ASP 119 Ca 0.00 -0.38 0.06 0.00 0.18 0.00 0.00 52.55 52.41 1vea s ASP 119 Cb 0.00 -0.24 0.06 0.00 1.07 0.00 0.00 42.92 43.82 1vea s ASP 119 CO 0.00 0.21 0.51 0.79 1.18 0.00 0.00 175.17 177.87 1vea n TRP 120 N 2.45 -1.41 -3.60 4.23 8.01 0.90 0.45 117.44 128.47 1vea n TRP 120 Ca -0.15 -1.98 -0.03 0.00 -1.31 0.00 0.00 57.50 54.03 1vea n TRP 120 Cb 0.53 -0.44 -0.06 0.00 -2.01 0.00 0.00 31.31 29.34 1vea n TRP 120 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 1vea s ILE 121 N -2.32 -0.33 0.03 -0.99 2.07 -0.26 -2.47 121.20 116.93 1vea s ILE 121 Ca 0.39 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.68 1vea s ILE 121 Cb -0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1vea s ILE 121 CO 0.25 0.00 -0.13 0.00 -1.91 0.00 0.00 174.94 173.15 1vea s ALA 122 N 2.01 2.78 -0.18 1.50 0.00 0.42 -1.60 121.76 126.69 1vea s ALA 122 Ca -0.08 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1vea s ALA 122 Cb -0.07 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.21 1vea s ALA 122 CO -0.18 0.59 0.03 0.08 0.00 0.00 0.00 175.76 176.28 1vea s VAL 123 N -0.96 0.49 -0.04 0.00 1.01 -0.55 -1.25 120.40 119.10 1vea s VAL 123 Ca 0.16 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1vea s VAL 123 Cb -0.11 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1vea s VAL 123 CO 0.06 -0.15 -0.17 -0.94 0.00 0.00 0.00 175.10 173.91 1vea s SER 124 N 1.88 3.83 -0.03 3.32 1.04 -0.91 -0.36 113.70 122.46 1vea s SER 124 Ca -0.00 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1vea s SER 124 Cb -0.16 -0.73 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 1vea s SER 124 CO -0.08 0.34 -0.19 -0.76 0.98 0.00 0.00 173.24 173.53 1vea s LEU 125 N -0.75 2.00 -0.05 2.42 1.43 0.15 -2.38 118.68 121.49 1vea s LEU 125 Ca 0.11 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1vea s LEU 125 Cb -0.10 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.14 1vea s LEU 125 CO 0.00 0.21 0.11 -0.47 0.23 0.00 0.00 176.35 176.43 1vea s TYR 126 N -0.27 -0.10 0.00 0.29 5.04 0.39 -1.91 117.35 120.78 1vea s TYR 126 Ca 0.03 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1vea s TYR 126 Cb -0.09 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.06 1vea s TYR 126 CO 0.01 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.47 1vea n GLY 127 N 4.32 2.08 3.15 8.97 0.00 -1.15 0.11 105.19 122.67 1vea n GLY 127 Ca -0.25 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 1vea n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vea s THR 128 N -2.90 1.08 -0.15 2.61 2.01 -1.12 -1.84 115.64 115.32 1vea s THR 128 Ca 0.00 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.86 1vea s THR 128 Cb 0.00 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.51 1vea s THR 128 CO 0.00 -0.13 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.98 1vea s ILE 129 N -1.09 1.89 0.55 1.82 1.09 -0.42 -1.57 121.20 123.47 1vea s ILE 129 Ca -0.01 -0.85 -0.20 0.00 -1.10 0.00 0.00 60.65 58.49 1vea s ILE 129 Cb -0.09 -1.71 -0.05 0.00 -1.06 0.00 0.00 42.46 39.55 1vea s ILE 129 CO 0.02 0.51 1.21 -0.83 -0.10 0.00 0.00 174.94 175.75 1vea s GLY 130 N 1.15 2.75 0.20 6.18 0.00 0.23 -1.38 107.32 116.45 1vea s GLY 130 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.76 1vea s GLY 130 CO -0.08 1.42 0.33 0.00 0.00 0.00 0.00 173.10 174.78 1vea s ALA 131 N -1.57 3.93 -2.00 3.20 0.00 -0.60 -4.69 121.76 120.03 1vea s ALA 131 Ca 0.73 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1vea s ALA 131 Cb -0.30 -1.78 0.07 0.00 0.00 0.00 0.00 23.12 21.11 1vea s ALA 131 CO 0.34 0.38 0.74 -2.30 0.00 0.00 0.00 175.76 174.92 1vea n PRO 132 N -1.00 0.68 -4.28 0.00 -0.02 -1.26 -4.49 135.00 124.63 1vea n PRO 132 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 1vea n PRO 132 Cb 0.55 -1.03 -0.16 0.00 -0.02 0.00 0.00 33.50 32.84 1vea n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vea s ILE 133 N -2.00 2.00 0.35 4.25 -1.09 -1.26 -5.10 121.20 118.35 1vea s ILE 133 Ca 0.02 -0.92 -0.28 0.00 -2.23 0.00 0.00 60.65 57.24 1vea s ILE 133 Cb 0.01 -1.80 -0.12 0.00 -1.58 0.00 0.00 42.46 38.97 1vea s ILE 133 CO 0.01 0.53 1.32 2.29 -1.23 0.00 0.00 174.94 177.87 1vea n LYS 134 N 4.46 2.21 -2.53 2.79 2.85 -1.26 -2.84 118.16 123.85 1vea n LYS 134 Ca -0.20 0.78 -0.04 0.00 -1.05 0.00 0.00 58.31 57.79 1vea n LYS 134 Cb 0.50 -2.38 0.01 0.00 -0.65 0.00 0.00 35.03 32.51 1vea n LYS 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vea n GLY 135 N 0.72 0.55 3.60 2.58 0.00 -1.26 -5.04 105.19 106.34 1vea n GLY 135 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 1vea n GLY 135 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vea s LEU 136 N -1.88 -1.04 0.01 0.99 2.96 -1.13 -5.12 118.68 113.46 1vea s LEU 136 Ca 0.08 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1vea s LEU 136 Cb -0.03 2.20 -0.01 0.00 0.50 0.00 0.00 46.19 48.85 1vea s LEU 136 CO 0.10 -0.22 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.27 1vea s GLU 137 N 2.63 0.22 -0.05 1.98 2.02 -1.26 -1.56 118.70 122.69 1vea s GLU 137 Ca -0.06 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.64 1vea s GLU 137 Cb -0.11 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.98 1vea s GLU 137 CO -0.18 0.02 0.14 -1.01 0.02 0.00 0.00 175.26 174.25 1vea s HIS 138 N -0.49 3.50 -0.02 1.61 3.76 -0.48 -4.91 115.29 118.26 1vea s HIS 138 Ca -0.04 0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.07 1vea s HIS 138 Cb -0.04 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.75 1vea s HIS 138 CO -0.00 0.65 0.48 -1.21 -0.85 0.00 0.00 174.74 173.81 1vea s GLU 139 N -1.57 4.14 0.20 1.40 2.02 -1.26 -1.30 118.70 122.32 1vea s GLU 139 Ca 0.22 0.52 0.10 0.00 0.02 0.00 0.00 54.97 55.83 1vea s GLU 139 Cb -0.12 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1vea s GLU 139 CO 0.12 0.50 -0.16 0.95 0.02 0.00 0.00 175.26 176.69 1vea s THR 140 N -0.51 2.81 -0.28 3.63 -4.23 -0.77 -4.98 115.64 111.32 1vea s THR 140 Ca 0.26 -1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 58.72 1vea s THR 140 Cb -0.17 -2.39 0.09 0.00 1.34 0.00 0.00 72.50 71.37 1vea s THR 140 CO 0.14 -0.15 0.75 0.12 -0.54 0.00 0.00 174.62 174.94 1vea s PHE 141 N -1.79 -0.95 -0.09 3.99 5.36 -1.26 -2.93 117.98 120.30 1vea s PHE 141 Ca 0.24 1.93 -0.17 0.00 -0.96 0.00 0.00 56.93 57.96 1vea s PHE 141 Cb -0.08 0.56 0.04 0.00 -0.34 0.00 0.00 43.02 43.19 1vea s PHE 141 CO 0.13 -0.47 0.43 0.20 -1.46 0.00 0.00 175.22 174.05 1vea s GLY 142 N 1.47 -0.30 0.01 13.12 0.00 -0.80 -3.68 107.32 117.14 1vea s GLY 142 Ca -0.09 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.56 1vea s GLY 142 CO -0.17 0.70 -0.07 0.14 0.00 0.00 0.00 173.10 173.70 1vea s VAL 143 N -0.54 0.52 -0.12 1.40 1.01 -1.26 0.31 120.40 121.72 1vea s VAL 143 Ca -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1vea s VAL 143 Cb -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1vea s VAL 143 CO 0.03 -0.06 0.06 -0.83 0.00 0.00 0.00 175.10 174.30 1vea s GLY 144 N -0.71 0.40 -0.11 4.51 0.00 0.51 -3.37 107.32 108.55 1vea s GLY 144 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.47 1vea s GLY 144 CO 0.00 1.47 -0.00 -0.42 0.00 0.00 0.00 173.10 174.15 1vea s ILE 145 N 2.07 4.25 0.10 0.90 1.01 -1.26 -1.48 121.20 126.78 1vea s ILE 145 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1vea s ILE 145 Cb -0.14 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1vea s ILE 145 CO -0.06 0.57 0.15 0.21 0.00 0.00 0.00 174.94 175.81 1vea s ASN 146 N -0.55 0.20 -0.22 3.58 3.84 -0.63 -4.85 114.94 116.32 1vea s ASN 146 Ca 0.09 -0.82 -0.07 0.00 0.21 0.00 0.00 52.86 52.27 1vea s ASN 146 Cb -0.12 0.32 -0.03 0.00 -0.55 0.00 0.00 41.25 40.87 1vea s ASN 146 CO 0.02 -0.73 0.07 -2.28 -2.79 0.00 0.00 177.10 171.39 1vea s HIS 147 N -3.91 3.15 -1.71 0.43 5.65 -1.26 -1.11 115.29 116.53 1vea s HIS 147 Ca 0.09 -0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.20 1vea s HIS 147 Cb 0.05 -2.18 0.00 0.00 -1.18 0.00 0.00 32.58 29.27 1vea s HIS 147 CO -0.08 -0.15 0.43 -0.89 -0.65 0.00 0.00 174.74 173.40