#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vea n ARG 7 N 0.00 0.77 -2.28 5.31 0.63 -1.26 -5.11 116.66 114.72 1vea n ARG 7 Ca 0.00 -2.09 -0.34 0.00 -0.92 0.00 0.00 57.85 54.50 1vea n ARG 7 Cb 0.00 -1.40 -0.04 0.00 0.45 0.00 0.00 32.46 31.47 1vea n ARG 7 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1vea s ARG 8 N 0.23 3.03 0.21 -0.14 1.81 -1.26 -4.74 118.95 118.08 1vea s ARG 8 Ca 0.32 -0.64 -0.10 0.00 -1.72 0.00 0.00 55.73 53.59 1vea s ARG 8 Cb 0.22 -5.17 0.27 0.00 -0.45 0.00 0.00 34.95 29.82 1vea s ARG 8 CO -0.21 -2.83 1.72 0.97 -0.68 0.00 0.00 175.30 174.28 1vea h ILE 9 N 7.03 0.71 0.64 1.52 2.10 -1.95 0.55 117.51 128.12 1vea h ILE 9 Ca 0.13 -0.11 -0.03 0.00 1.08 0.00 0.00 64.86 65.93 1vea h ILE 9 Cb 1.01 0.36 -0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1vea h ILE 9 CO 1.31 0.06 -0.38 1.23 -1.08 0.00 0.00 178.15 179.28 1vea h GLY 10 N 0.32 -1.05 0.58 8.18 0.00 -1.94 -0.86 103.07 108.31 1vea h GLY 10 Ca 0.30 0.43 0.07 0.00 0.00 0.00 0.00 47.33 48.13 1vea h GLY 10 CO -0.35 -0.37 0.34 -0.09 0.00 0.00 0.00 176.54 176.07 1vea h ARG 11 N -0.97 0.59 -0.31 4.80 2.43 -1.82 -2.22 114.38 116.89 1vea h ARG 11 Ca -0.08 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1vea h ARG 11 Cb 0.78 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1vea h ARG 11 CO 0.09 0.39 0.09 -0.07 -1.51 0.00 0.00 179.97 178.96 1vea h LEU 12 N 0.61 0.08 -1.03 3.80 3.38 0.30 -2.42 115.31 120.03 1vea h LEU 12 Ca 0.31 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1vea h LEU 12 Cb 0.26 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1vea h LEU 12 CO -0.22 0.08 0.61 0.77 0.09 0.00 0.00 178.44 179.77 1vea h SER 13 N 0.22 1.10 -0.01 -0.43 4.64 -0.59 -1.58 113.55 116.91 1vea h SER 13 Ca 0.14 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1vea h SER 13 Cb 0.12 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1vea h SER 13 CO -0.16 0.82 0.00 0.58 -0.87 0.00 0.00 176.83 177.20 1vea h VAL 14 N 1.29 1.17 -0.75 0.95 2.07 -1.18 -1.85 116.25 117.94 1vea h VAL 14 Ca 0.34 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1vea h VAL 14 Cb -0.12 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1vea h VAL 14 CO -0.07 0.13 0.36 -0.07 0.02 0.00 0.00 177.57 177.94 1vea h LEU 15 N -0.20 0.44 -1.38 2.57 3.38 -1.16 0.25 115.31 119.22 1vea h LEU 15 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1vea h LEU 15 Cb 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1vea h LEU 15 CO -0.00 0.22 0.43 0.25 0.09 0.00 0.00 178.44 179.43 1vea h LEU 16 N 0.57 0.71 -0.39 1.67 5.85 -1.07 0.21 115.31 122.87 1vea h LEU 16 Ca 0.39 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1vea h LEU 16 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1vea h LEU 16 CO -0.32 0.51 -0.06 0.25 -0.34 0.00 0.00 178.44 178.48 1vea h LEU 17 N 0.84 0.73 0.06 2.25 5.85 0.29 -3.31 115.31 122.01 1vea h LEU 17 Ca 0.25 -0.34 -0.30 0.00 0.84 0.00 0.00 57.88 58.33 1vea h LEU 17 Cb -0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1vea h LEU 17 CO -0.06 0.90 -1.62 -0.07 -0.34 0.00 0.00 178.44 177.25 1vea h LEU 18 N 0.54 0.20 -8.20 2.25 4.07 -0.70 -3.43 115.31 110.04 1vea h LEU 18 Ca 0.10 -0.35 -0.27 0.00 0.08 0.00 0.00 57.88 57.44 1vea h LEU 18 Cb 0.56 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 1vea h LEU 18 CO 0.03 1.30 0.72 0.20 -1.08 0.00 0.00 178.44 179.61 1vea s ASN 19 N -6.62 5.00 -0.02 -0.43 0.01 0.71 -4.70 114.94 108.89 1vea s ASN 19 Ca -0.08 -0.77 0.03 0.00 -0.71 0.00 0.00 52.86 51.33 1vea s ASN 19 Cb 0.08 -2.56 0.14 0.00 0.41 0.00 0.00 41.25 39.31 1vea s ASN 19 CO 0.82 -2.91 0.91 -0.62 -1.51 0.00 0.00 177.10 173.79 1vea n GLU 20 N 8.76 1.54 0.00 -0.60 -0.58 -1.26 -4.26 120.64 124.23 1vea n GLU 20 Ca 0.41 -0.55 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1vea n GLU 20 Cb 0.47 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 1vea n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vea n ALA 21 N 0.02 -0.01 -2.72 0.62 0.00 -1.26 -4.73 120.51 112.42 1vea n ALA 21 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1vea n ALA 21 Cb 0.28 0.10 0.07 0.00 0.00 0.00 0.00 19.45 19.90 1vea n ALA 21 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vea n GLU 22 N -0.76 0.63 -0.23 0.00 0.28 -1.26 -5.00 120.64 114.30 1vea n GLU 22 Ca 0.00 -1.45 0.27 0.00 -0.16 0.00 0.00 57.16 55.82 1vea n GLU 22 Cb 0.00 -0.98 0.41 0.00 1.43 0.00 0.00 31.44 32.30 1vea n GLU 22 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1vea n GLU 23 N 1.24 0.01 -0.22 3.44 0.00 -1.26 -0.18 120.64 123.67 1vea n GLU 23 Ca 0.05 0.92 0.30 0.00 0.00 0.00 0.00 57.16 58.43 1vea n GLU 23 Cb 0.67 -2.27 0.73 0.00 0.00 0.00 0.00 31.44 30.57 1vea n GLU 23 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1vea h SER 24 N 0.00 0.01 0.06 -1.84 0.02 -1.96 1.15 113.55 111.00 1vea h SER 24 Ca 0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.20 1vea h SER 24 Cb 2.69 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 65.21 1vea h SER 24 CO -0.00 0.00 -1.17 0.71 -1.14 0.00 0.00 176.83 175.23 1vea h THR 25 N 0.01 1.11 -0.91 -2.27 1.35 -1.01 -3.24 112.91 107.95 1vea h THR 25 Ca 0.46 -2.33 0.07 0.00 -0.55 0.00 0.00 66.41 64.06 1vea h THR 25 Cb 1.85 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 70.88 1vea h THR 25 CO -0.01 0.58 0.59 1.56 -0.25 0.00 0.00 175.52 177.99 1vea h GLN 26 N -0.60 0.99 -0.28 4.72 4.20 -0.89 0.46 115.11 123.71 1vea h GLN 26 Ca -0.27 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.28 1vea h GLN 26 Cb 1.52 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1vea h GLN 26 CO -0.03 0.66 -0.20 0.28 -0.67 0.00 0.00 178.83 178.87 1vea h VAL 27 N 1.02 1.30 0.00 -0.54 2.07 0.11 -1.73 116.25 118.48 1vea h VAL 27 Ca 0.39 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1vea h VAL 27 Cb 0.21 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1vea h VAL 27 CO -0.15 0.42 -0.35 -0.33 0.02 0.00 0.00 177.57 177.18 1vea h GLU 28 N 0.36 0.00 -0.02 1.57 5.08 -1.49 0.21 114.58 120.29 1vea h GLU 28 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1vea h GLU 28 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1vea h GLU 28 CO 0.05 0.35 -0.67 1.49 -1.00 0.00 0.00 179.01 179.23 1vea h GLU 29 N 0.00 0.10 0.00 2.33 4.81 0.05 -2.18 114.58 119.68 1vea h GLU 29 Ca -0.00 -0.08 -0.31 0.00 -0.13 0.00 0.00 59.36 58.84 1vea h GLU 29 Cb 1.10 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1vea h GLU 29 CO 0.05 0.73 -1.89 1.28 -0.73 0.00 0.00 179.01 178.45 1vea n LEU 30 N -3.78 0.68 -0.07 1.64 4.77 -0.66 -3.22 117.00 116.36 1vea n LEU 30 Ca -0.02 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1vea n LEU 30 Cb 0.66 0.24 0.20 0.00 -2.33 0.00 0.00 43.42 42.19 1vea n LEU 30 CO 0.44 0.42 0.89 -0.33 -1.33 0.00 0.00 177.39 177.48 1vea h GLU 31 N 0.00 0.69 0.00 3.23 5.08 -0.58 -1.05 114.58 121.96 1vea h GLU 31 Ca -0.35 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1vea h GLU 31 Cb 2.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1vea h GLU 31 CO 0.07 0.72 -0.25 -2.13 -1.00 0.00 0.00 179.01 176.42 1vea n ARG 32 N -4.23 0.07 -0.19 2.33 0.63 -0.82 -3.12 116.66 111.33 1vea n ARG 32 Ca 0.02 0.04 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 1vea n ARG 32 Cb 0.29 -1.56 0.25 0.00 0.45 0.00 0.00 32.46 31.89 1vea n ARG 32 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1vea n ASP 33 N -1.67 2.38 0.00 6.15 2.03 -0.48 -4.93 116.55 120.03 1vea n ASP 33 Ca 0.06 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.45 1vea n ASP 33 Cb 0.36 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1vea n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vea n GLY 34 N 1.24 2.09 3.91 0.27 0.00 -1.07 -5.03 105.19 106.60 1vea n GLY 34 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.43 3.04 -0.07 1.61 0.52 -0.72 -4.83 118.94 116.05 1vea s TRP 35 Ca 0.00 0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.85 1vea s TRP 35 Cb 0.00 -3.26 -0.02 0.00 -1.15 0.00 0.00 33.47 29.04 1vea s TRP 35 CO 0.00 -1.47 -0.13 0.15 0.02 0.00 0.00 176.95 175.52 1vea s LYS 36 N -5.38 2.72 -0.01 4.98 -0.14 -0.52 -4.37 119.74 117.02 1vea s LYS 36 Ca 0.60 -0.68 0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1vea s LYS 36 Cb -0.11 -2.46 -0.01 0.00 -1.68 0.00 0.00 37.83 33.58 1vea s LYS 36 CO 0.48 0.54 -0.08 0.08 -0.76 0.00 0.00 175.35 175.60 1vea s VAL 37 N -0.50 0.66 -0.03 3.17 1.01 -1.26 -2.16 120.40 121.29 1vea s VAL 37 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1vea s VAL 37 Cb -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1vea s VAL 37 CO 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 175.10 175.29 1vea s LEU 39 N 0.87 1.31 0.00 0.00 1.43 -1.26 -0.67 118.68 120.36 1vea s LEU 39 Ca -0.10 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1vea s LEU 39 Cb -0.13 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.26 1vea s LEU 39 CO -0.01 -0.08 0.47 0.61 0.23 0.00 0.00 176.35 177.58 1vea n GLY 40 N 4.64 2.11 3.06 -3.19 0.00 -0.37 -5.00 105.19 106.43 1vea n GLY 40 Ca -0.15 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1vea n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vea s LYS 41 N -2.71 0.22 0.04 1.61 2.20 -1.26 -0.64 119.74 119.19 1vea s LYS 41 Ca 0.27 0.35 0.05 0.00 -0.36 0.00 0.00 55.97 56.27 1vea s LYS 41 Cb -0.01 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 1vea s LYS 41 CO 0.19 -0.07 -0.13 0.08 -0.36 0.00 0.00 175.35 175.05 1vea s VAL 42 N 0.47 1.05 -0.56 4.02 1.01 0.12 -5.00 120.40 121.52 1vea s VAL 42 Ca -0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1vea s VAL 42 Cb -0.04 -0.96 0.39 0.00 0.00 0.00 0.00 36.38 35.77 1vea s VAL 42 CO -0.02 -0.01 2.02 0.61 0.00 0.00 0.00 175.10 177.70 1vea n GLY 43 N 1.92 5.32 3.46 4.51 0.00 -1.26 -0.71 105.19 118.42 1vea n GLY 43 Ca -0.18 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.24 -0.59 -0.18 1.61 0.15 -1.25 -4.63 113.70 107.58 1vea s SER 44 Ca 0.55 0.23 0.13 0.00 0.70 0.00 0.00 55.95 57.56 1vea s SER 44 Cb 0.43 0.57 0.40 0.00 -1.71 0.00 0.00 66.02 65.71 1vea s SER 44 CO -0.00 -0.84 1.20 0.23 1.20 0.00 0.00 173.24 175.03 1vea n MET 45 N 0.05 1.40 -2.82 5.44 2.81 -1.25 -4.68 117.12 118.07 1vea n MET 45 Ca -0.17 -3.08 -0.42 0.00 -1.81 0.00 0.00 57.70 52.22 1vea n MET 45 Cb 0.62 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 1vea n MET 45 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1vea s ASP 46 N -3.07 7.12 0.17 7.83 2.15 -1.25 -3.44 116.67 126.19 1vea s ASP 46 Ca 0.36 1.37 -0.23 0.00 0.43 0.00 0.00 52.55 54.48 1vea s ASP 46 Cb 0.36 -2.50 0.08 0.00 -0.30 0.00 0.00 42.92 40.55 1vea s ASP 46 CO -0.06 -0.34 1.58 0.00 -0.17 0.00 0.00 175.17 176.18 1vea h ALA 47 N 7.07 -0.18 -0.34 3.66 0.00 -1.91 -1.52 119.26 126.03 1vea h ALA 47 Ca -0.34 0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1vea h ALA 47 Cb 1.16 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1vea h ALA 47 CO 0.81 -0.74 0.17 0.45 0.00 0.00 0.00 179.25 179.94 1vea h HIS 48 N -0.22 0.32 -0.14 0.00 3.86 -2.00 -1.97 115.15 115.00 1vea h HIS 48 Ca 0.20 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1vea h HIS 48 Cb 0.56 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1vea h HIS 48 CO -0.63 0.18 0.09 0.87 0.86 0.00 0.00 177.93 179.30 1vea h LYS 49 N 0.36 0.19 -0.20 2.45 1.57 -1.87 -1.88 116.57 117.19 1vea h LYS 49 Ca 0.14 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1vea h LYS 49 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1vea h LYS 49 CO -0.09 0.15 0.05 0.28 -0.57 0.00 0.00 179.45 179.27 1vea h VAL 50 N 0.18 0.92 -0.40 0.50 2.07 -1.14 -1.45 116.25 116.93 1vea h VAL 50 Ca 0.05 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1vea h VAL 50 Cb 0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1vea h VAL 50 CO -0.01 0.02 0.17 0.40 0.02 0.00 0.00 177.57 178.17 1vea h ILE 51 N 0.13 0.92 0.09 4.57 2.04 -1.21 0.10 117.51 124.15 1vea h ILE 51 Ca 0.09 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1vea h ILE 51 Cb 0.08 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1vea h ILE 51 CO -0.11 0.06 -0.11 0.00 0.00 0.00 0.00 178.15 177.99 1vea h ALA 52 N 1.24 -0.20 0.61 1.87 0.00 -1.11 0.54 119.26 122.21 1vea h ALA 52 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1vea h ALA 52 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vea h ALA 52 CO -0.16 -0.63 -0.46 0.00 0.00 0.00 0.00 179.25 178.00 1vea h ALA 53 N 0.65 -1.19 -0.70 0.00 0.00 -0.88 0.18 119.26 117.31 1vea h ALA 53 Ca 0.01 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1vea h ALA 53 Cb 0.24 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1vea h ALA 53 CO -0.05 -1.18 0.07 0.82 0.00 0.00 0.00 179.25 178.91 1vea h ILE 54 N -1.03 0.45 -0.38 0.00 2.04 -0.72 0.14 117.51 118.02 1vea h ILE 54 Ca -0.08 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1vea h ILE 54 Cb 0.85 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1vea h ILE 54 CO 0.03 0.03 0.18 -0.08 0.00 0.00 0.00 178.15 178.30 1vea h GLU 55 N 0.17 0.35 0.91 2.37 4.81 0.68 0.35 114.58 124.23 1vea h GLU 55 Ca 0.39 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1vea h GLU 55 Cb 0.66 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.97 1vea h GLU 55 CO -0.56 0.23 -0.44 1.15 -0.73 0.00 0.00 179.01 178.66 1vea h THR 56 N 0.37 0.03 -0.34 0.32 2.02 0.12 -1.96 112.91 113.46 1vea h THR 56 Ca 0.16 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1vea h THR 56 Cb 0.09 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1vea h THR 56 CO -0.13 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.04 1vea h ALA 57 N -1.29 2.21 -0.19 6.16 0.00 -0.70 -1.01 119.26 124.45 1vea h ALA 57 Ca -0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1vea h ALA 57 Cb 0.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vea h ALA 57 CO 0.21 -0.45 -0.27 0.77 0.00 0.00 0.00 179.25 179.51 1vea h SER 58 N 0.00 0.57 0.10 0.00 0.02 -0.02 -3.00 113.55 111.22 1vea h SER 58 Ca 0.16 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1vea h SER 58 Cb 0.72 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1vea h SER 58 CO -0.00 0.97 -0.05 0.11 -1.14 0.00 0.00 176.83 176.72 1vea h LYS 59 N 0.18 -0.14 0.00 3.45 1.57 -0.73 -0.30 116.57 120.60 1vea h LYS 59 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1vea h LYS 59 Cb 0.84 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1vea h LYS 59 CO 0.06 0.37 0.19 1.17 -0.57 0.00 0.00 179.45 180.67 1vea n LYS 60 N -4.87 0.00 0.00 3.15 4.81 -0.44 0.96 118.16 121.77 1vea n LYS 60 Ca -0.08 0.25 0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1vea n LYS 60 Cb 0.28 -1.69 0.01 0.00 0.02 0.00 0.00 35.03 33.66 1vea n LYS 60 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1vea n SER 61 N -1.22 1.26 0.00 3.14 3.41 -1.13 -4.99 113.62 114.08 1vea n SER 61 Ca 0.00 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1vea n SER 61 Cb 0.19 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1vea n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vea n GLY 62 N 0.25 0.45 0.19 5.00 0.00 0.27 -4.82 105.19 106.53 1vea n GLY 62 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -2.36 1.61 2.07 -1.25 -3.43 116.25 112.90 1vea h VAL 63 Ca 0.00 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 1vea h VAL 63 Cb 0.14 1.21 -0.23 0.00 -1.52 0.00 0.00 31.29 30.90 1vea h VAL 63 CO 0.00 0.00 -0.05 -0.63 0.02 0.00 0.00 177.57 176.91 1vea s ILE 64 N -3.45 -0.00 0.24 4.57 1.01 -1.17 -4.83 121.20 117.57 1vea s ILE 64 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 1vea s ILE 64 Cb 0.09 -0.80 -0.10 0.00 0.01 0.00 0.00 42.46 41.66 1vea s ILE 64 CO 0.46 0.00 1.51 -1.10 0.00 0.00 0.00 174.94 175.81 1vea s GLN 65 N 0.40 4.22 0.50 2.79 1.11 -1.26 -4.26 119.66 123.16 1vea s GLN 65 Ca -0.01 2.38 0.06 0.00 0.01 0.00 0.00 55.36 57.81 1vea s GLN 65 Cb -0.04 -3.10 0.35 0.00 -1.01 0.00 0.00 33.01 29.20 1vea s GLN 65 CO -0.01 -0.52 1.10 0.77 0.01 0.00 0.00 175.29 176.64 1vea h SER 66 N 5.44 0.00 -5.15 5.90 0.02 -1.97 -3.40 113.55 114.39 1vea h SER 66 Ca -0.45 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 1vea h SER 66 Cb 1.21 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 1vea h SER 66 CO 0.82 0.00 -0.38 -1.61 -1.14 0.00 0.00 176.83 174.52 1vea s GLU 67 N -3.58 0.83 0.00 3.45 0.41 -1.26 -5.12 118.70 113.43 1vea s GLU 67 Ca -0.01 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 1vea s GLU 67 Cb 0.02 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.70 1vea s GLU 67 CO 0.06 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 1vea n GLY 68 N -0.00 2.48 0.31 -1.39 0.00 -1.26 -4.96 105.19 100.36 1vea n GLY 68 Ca -0.15 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.21 1vea n GLY 68 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vea h TYR 69 N 0.00 0.48 -0.21 1.61 3.20 -1.99 -3.10 116.97 116.97 1vea h TYR 69 Ca 0.00 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1vea h TYR 69 Cb 0.00 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1vea h TYR 69 CO 0.00 -0.14 -0.51 -0.09 -1.64 0.00 0.00 178.16 175.78 1vea h ARG 70 N 0.29 -0.47 -0.28 1.82 2.43 -2.00 0.47 114.38 116.64 1vea h ARG 70 Ca 0.55 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.66 1vea h ARG 70 Cb 1.09 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1vea h ARG 70 CO -0.59 -0.31 -0.23 0.93 -1.51 0.00 0.00 179.97 178.25 1vea h GLU 71 N -0.48 0.54 -0.45 0.20 5.08 -1.91 -2.78 114.58 114.77 1vea h GLU 71 Ca 0.04 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1vea h GLU 71 Cb 0.60 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1vea h GLU 71 CO -0.45 0.73 -0.08 1.03 -1.00 0.00 0.00 179.01 179.25 1vea h SER 72 N 0.48 0.77 -0.58 1.42 0.87 -1.42 -2.13 113.55 112.96 1vea h SER 72 Ca 0.07 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1vea h SER 72 Cb 0.67 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1vea h SER 72 CO 0.05 0.88 0.04 -0.74 -0.53 0.00 0.00 176.83 176.53 1vea h HIS 73 N 0.71 1.10 -0.43 2.24 -0.00 -0.64 -1.28 115.15 116.85 1vea h HIS 73 Ca 0.13 -0.17 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 1vea h HIS 73 Cb 0.55 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1vea h HIS 73 CO 0.03 0.96 -0.29 0.00 -0.00 0.00 0.00 177.93 178.63 1vea h ALA 74 N 1.09 0.66 0.32 5.26 0.00 -1.32 -1.63 119.26 123.63 1vea h ALA 74 Ca 0.18 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1vea h ALA 74 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vea h ALA 74 CO 0.02 0.67 -0.15 1.25 0.00 0.00 0.00 179.25 181.04 1vea h LEU 75 N 0.80 -0.36 -0.56 0.00 5.85 -1.22 0.29 115.31 120.11 1vea h LEU 75 Ca 0.09 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1vea h LEU 75 Cb 0.87 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 1vea h LEU 75 CO 0.08 -0.22 0.03 1.88 -0.34 0.00 0.00 178.44 179.87 1vea h TYR 76 N -0.48 0.02 -0.29 1.25 -1.99 -1.19 0.35 116.97 114.65 1vea h TYR 76 Ca -0.04 0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.64 1vea h TYR 76 Cb 0.36 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1vea h TYR 76 CO -0.04 -0.11 -0.15 0.45 -0.00 0.00 0.00 178.16 178.30 1vea h HIS 77 N 0.15 0.71 -0.55 4.88 3.86 -1.10 0.31 115.15 123.41 1vea h HIS 77 Ca 0.29 -0.18 0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1vea h HIS 77 Cb 0.44 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1vea h HIS 77 CO -0.32 0.86 0.32 0.00 0.86 0.00 0.00 177.93 179.65 1vea h ALA 78 N 0.74 0.70 -0.37 2.45 0.00 -0.54 0.11 119.26 122.36 1vea h ALA 78 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1vea h ALA 78 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1vea h ALA 78 CO 0.05 0.02 0.19 1.15 0.00 0.00 0.00 179.25 180.66 1vea h THR 79 N 0.63 1.16 -0.46 0.00 2.02 -0.04 -1.67 112.91 114.54 1vea h THR 79 Ca 0.22 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1vea h THR 79 Cb 0.05 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1vea h THR 79 CO -0.11 0.17 0.09 0.24 0.37 0.00 0.00 175.52 176.27 1vea h MET 80 N 0.47 0.70 -0.40 6.66 2.86 0.32 0.89 114.93 126.44 1vea h MET 80 Ca 0.13 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1vea h MET 80 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1vea h MET 80 CO -0.02 0.66 -0.26 1.49 1.06 0.00 0.00 176.91 179.84 1vea h GLU 81 N 0.68 0.84 -0.06 1.72 4.81 -0.58 -2.81 114.58 119.17 1vea h GLU 81 Ca 0.15 -0.36 -0.18 0.00 -0.13 0.00 0.00 59.36 58.84 1vea h GLU 81 Cb 0.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1vea h GLU 81 CO 0.00 1.00 -0.73 0.00 -0.73 0.00 0.00 179.01 178.55 1vea h ALA 82 N 0.98 0.65 0.00 2.92 0.00 -0.77 -3.06 119.26 119.98 1vea h ALA 82 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1vea h ALA 82 Cb 0.80 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1vea h ALA 82 CO 0.07 0.78 -0.16 -0.07 0.00 0.00 0.00 179.25 179.87 1vea h LEU 83 N 0.21 0.00 -1.37 0.00 3.38 -0.66 -1.13 115.31 115.74 1vea h LEU 83 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1vea h LEU 83 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1vea h LEU 83 CO 0.12 0.16 -0.13 0.45 0.09 0.00 0.00 178.44 179.12 1vea h HIS 84 N 0.00 0.00 0.10 1.13 3.86 -1.39 -1.95 115.15 116.90 1vea h HIS 84 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1vea h HIS 84 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1vea h HIS 84 CO 0.00 0.13 -0.05 0.78 0.86 0.00 0.00 177.93 179.66 1vea h GLY 85 N 1.86 -0.14 2.00 2.45 0.00 -1.27 -0.80 103.07 107.16 1vea h GLY 85 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1vea h GLY 85 CO 0.02 -0.05 -0.11 -0.39 0.00 0.00 0.00 176.54 176.01 1vea h VAL 86 N -0.94 0.61 -0.73 4.60 -1.51 -1.24 -1.51 116.25 115.53 1vea h VAL 86 Ca -0.01 -0.47 -0.20 0.00 -1.23 0.00 0.00 66.70 64.79 1vea h VAL 86 Cb 0.49 1.30 -0.12 0.00 -2.13 0.00 0.00 31.29 30.83 1vea h VAL 86 CO 0.02 0.11 0.24 0.35 -1.23 0.00 0.00 177.57 177.06 1vea n THR 87 N -3.73 2.93 -4.37 7.19 -2.24 -0.74 -4.79 114.28 108.53 1vea n THR 87 Ca -0.02 -1.63 -0.34 0.00 -2.27 0.00 0.00 64.05 59.80 1vea n THR 87 Cb 0.22 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 1vea n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vea n ARG 88 N -0.08 -0.93 -0.94 -0.78 1.74 -0.57 -0.61 116.66 114.49 1vea n ARG 88 Ca 0.40 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1vea n ARG 88 Cb 1.38 -3.88 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 1vea n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vea n GLY 89 N -2.21 0.52 2.45 -0.13 0.00 -0.31 -4.98 105.19 100.53 1vea n GLY 89 Ca -0.22 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 1vea n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vea s GLU 90 N -0.22 1.00 0.18 1.61 0.41 0.21 -5.00 118.70 116.90 1vea s GLU 90 Ca 0.00 -2.13 -0.21 0.00 -0.41 0.00 0.00 54.97 52.21 1vea s GLU 90 Cb 0.00 -1.58 0.11 0.00 -1.78 0.00 0.00 34.13 30.88 1vea s GLU 90 CO 0.00 -1.36 1.59 1.98 -0.49 0.00 0.00 175.26 176.98 1vea h MET 91 N 5.77 -0.17 -0.99 1.61 1.85 -1.89 -1.74 114.93 119.37 1vea h MET 91 Ca 0.23 0.01 0.15 0.00 -0.61 0.00 0.00 59.70 59.48 1vea h MET 91 Cb 0.90 0.04 -0.09 0.00 0.43 0.00 0.00 31.60 32.88 1vea h MET 91 CO 0.39 -0.12 0.62 1.25 -0.40 0.00 0.00 176.91 178.65 1vea h LEU 92 N -0.18 0.83 -0.04 3.39 6.46 -1.94 -1.25 115.31 122.58 1vea h LEU 92 Ca 0.22 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1vea h LEU 92 Cb 0.55 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1vea h LEU 92 CO -0.66 0.40 0.00 0.18 -0.62 0.00 0.00 178.44 177.73 1vea n LEU 93 N -4.65 0.07 0.10 2.25 4.32 -0.66 -2.25 117.00 116.18 1vea n LEU 93 Ca 0.20 0.51 -0.05 0.00 -0.02 0.00 0.00 56.01 56.65 1vea n LEU 93 Cb 0.45 -0.50 0.06 0.00 -1.62 0.00 0.00 43.42 41.81 1vea n LEU 93 CO 0.26 -0.18 0.35 1.23 -1.22 0.00 0.00 177.39 177.83 1vea h GLY 94 N 3.42 0.09 1.33 -0.72 0.00 -1.13 -2.57 103.07 103.49 1vea h GLY 94 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1vea h GLY 94 CO 0.00 0.13 -0.05 1.76 0.00 0.00 0.00 176.54 178.38 1vea h SER 95 N 0.05 0.79 1.15 0.19 0.02 -1.47 -2.92 113.55 111.35 1vea h SER 95 Ca -0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1vea h SER 95 Cb 1.35 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1vea h SER 95 CO 0.11 0.88 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.56 1vea h LEU 96 N 0.75 0.00 -9.19 5.07 3.38 -1.48 -3.45 115.31 110.38 1vea h LEU 96 Ca 0.14 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.55 1vea h LEU 96 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1vea h LEU 96 CO 0.03 0.05 0.99 -0.76 0.09 0.00 0.00 178.44 178.83 1vea s LEU 97 N -6.30 4.23 0.46 1.67 1.43 -1.03 -5.01 118.68 114.13 1vea s LEU 97 Ca 0.02 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 1vea s LEU 97 Cb 0.09 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.78 1vea s LEU 97 CO 0.58 -0.85 0.63 0.00 0.23 0.00 0.00 176.35 176.94 1vea s ARG 98 N 3.77 2.79 -0.82 1.70 1.04 -1.26 -4.67 118.95 121.49 1vea s ARG 98 Ca 0.63 -1.01 -0.00 0.00 -1.04 0.00 0.00 55.73 54.31 1vea s ARG 98 Cb -0.27 -2.66 0.00 0.00 -2.04 0.00 0.00 34.95 29.98 1vea s ARG 98 CO 0.21 -0.38 0.61 -2.37 -0.04 0.00 0.00 175.30 173.34 1vea n THR 99 N -2.00 -3.85 -3.86 4.99 5.66 -1.26 -4.80 114.28 109.16 1vea n THR 99 Ca 0.07 -0.03 -0.12 0.00 -3.05 0.00 0.00 64.05 60.92 1vea n THR 99 Cb 0.59 -3.24 -0.11 0.00 -1.55 0.00 0.00 70.33 66.02 1vea n THR 99 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1vea s VAL 100 N -2.97 0.04 -0.05 1.08 0.11 -1.26 -2.33 120.40 115.02 1vea s VAL 100 Ca 0.00 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 1vea s VAL 100 Cb -0.00 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1vea s VAL 100 CO 0.89 -0.19 -0.17 -0.83 -3.33 0.00 0.00 175.10 171.47 1vea s GLY 101 N -0.62 1.47 -0.11 6.54 0.00 -0.09 -3.76 107.32 110.75 1vea s GLY 101 Ca -0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 1vea s GLY 101 CO 0.01 -0.77 -0.01 -2.27 0.00 0.00 0.00 173.10 170.06 1vea s LEU 102 N -0.63 0.87 -0.10 0.66 2.96 0.11 -0.44 118.68 122.11 1vea s LEU 102 Ca 0.09 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1vea s LEU 102 Cb -0.11 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 1vea s LEU 102 CO 0.01 -0.20 0.05 -0.60 -1.32 0.00 0.00 176.35 174.29 1vea s ARG 103 N 1.88 3.19 0.07 1.98 3.52 -0.61 0.16 118.95 129.15 1vea s ARG 103 Ca 0.04 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1vea s ARG 103 Cb -0.13 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1vea s ARG 103 CO -0.06 0.72 -0.12 -0.59 -0.81 0.00 0.00 175.30 174.43 1vea s PHE 104 N -0.89 1.06 -0.04 5.12 -0.12 0.19 -1.37 117.98 121.92 1vea s PHE 104 Ca 0.13 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 1vea s PHE 104 Cb -0.12 -0.59 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 1vea s PHE 104 CO 0.03 0.01 -0.02 0.00 -0.05 0.00 0.00 175.22 175.20 1vea s ALA 105 N -1.60 0.48 -0.02 1.99 0.00 0.05 -1.24 121.76 121.42 1vea s ALA 105 Ca -0.02 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1vea s ALA 105 Cb -0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1vea s ALA 105 CO 0.01 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.58 1vea s VAL 106 N 1.09 2.74 -0.07 0.00 1.01 0.15 -0.44 120.40 124.87 1vea s VAL 106 Ca -0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1vea s VAL 106 Cb -0.14 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.22 1vea s VAL 106 CO -0.01 0.54 0.06 -0.22 0.00 0.00 0.00 175.10 175.47 1vea s LEU 107 N -0.83 0.19 -0.15 3.92 2.96 -0.24 -1.74 118.68 122.80 1vea s LEU 107 Ca 0.12 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1vea s LEU 107 Cb -0.10 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.42 1vea s LEU 107 CO 0.01 -0.27 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.99 1vea s ARG 108 N 2.16 3.13 0.00 1.98 3.00 -0.92 -0.87 118.95 127.43 1vea s ARG 108 Ca 0.04 -0.80 0.00 0.00 -1.00 0.00 0.00 55.73 53.98 1vea s ARG 108 Cb -0.13 -2.55 0.00 0.00 0.00 0.00 0.00 34.95 32.28 1vea s ARG 108 CO -0.04 -0.00 0.00 0.41 0.00 0.00 0.00 175.30 175.66 1vea n GLY 109 N 4.08 -0.91 3.72 8.12 0.00 0.12 -1.44 105.19 118.88 1vea n GLY 109 Ca -0.19 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 7.10 0.17 1.61 3.84 -1.26 -0.29 114.94 126.11 1vea s ASN 110 Ca 0.00 2.05 0.06 0.00 0.21 0.00 0.00 52.86 55.18 1vea s ASN 110 Cb 0.00 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 38.11 1vea s ASN 110 CO 0.00 -0.43 1.39 -0.65 -2.79 0.00 0.00 177.10 174.62 1vea h PRO 111 N 6.42 0.08 0.00 0.43 0.11 -1.85 -3.46 132.00 133.72 1vea h PRO 111 Ca -0.42 -0.10 -0.56 0.00 0.11 0.00 0.00 66.00 65.03 1vea h PRO 111 Cb 1.21 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1vea h PRO 111 CO 0.79 0.90 -0.34 0.66 -0.21 0.00 0.00 178.00 179.81 1vea n TYR 112 N -3.58 0.21 1.08 0.65 4.01 -1.26 -4.24 117.16 114.04 1vea n TYR 112 Ca -0.02 -2.17 0.12 0.00 -0.16 0.00 0.00 57.90 55.67 1vea n TYR 112 Cb 0.82 -0.35 0.19 0.00 -0.31 0.00 0.00 39.34 39.69 1vea n TYR 112 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1vea n GLU 113 N -1.39 0.46 -0.78 -0.72 0.28 -1.26 -4.99 120.64 112.25 1vea n GLU 113 Ca -0.11 -0.31 -0.33 0.00 -0.16 0.00 0.00 57.16 56.25 1vea n GLU 113 Cb 0.57 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 32.07 1vea n GLU 113 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1vea n SER 114 N -1.00 -2.19 0.03 -1.84 3.41 -1.26 -4.89 113.62 105.88 1vea n SER 114 Ca 0.08 0.25 -0.05 0.00 -0.26 0.00 0.00 58.87 58.88 1vea n SER 114 Cb 0.36 -1.16 0.15 0.00 -0.26 0.00 0.00 64.21 63.30 1vea n SER 114 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1vea h GLU 115 N -1.65 0.44 -5.46 4.33 4.22 -2.05 -3.42 114.58 110.98 1vea h GLU 115 Ca -0.45 -0.22 -0.55 0.00 0.08 0.00 0.00 59.36 58.21 1vea h GLU 115 Cb 1.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1vea h GLU 115 CO 0.35 0.78 1.61 0.00 -2.18 0.00 0.00 179.01 179.57 1vea n ALA 116 N -2.49 0.57 -0.25 2.92 0.00 -1.26 -4.79 120.51 115.21 1vea n ALA 116 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 1vea n ALA 116 Cb 0.51 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 17.44 1vea n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vea n GLU 117 N 8.46 -0.15 -3.70 0.00 4.07 -1.26 -4.70 120.64 123.35 1vea n GLU 117 Ca 0.53 0.99 -0.22 0.00 -0.06 0.00 0.00 57.16 58.40 1vea n GLU 117 Cb 0.19 -1.46 -0.03 0.00 -0.06 0.00 0.00 31.44 30.08 1vea n GLU 117 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vea n GLY 118 N -1.30 -0.24 3.70 8.31 0.00 -1.26 -4.50 105.19 109.89 1vea n GLY 118 Ca 0.07 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1vea n GLY 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vea s ASP 119 N -3.95 6.89 0.20 1.61 2.15 -1.26 -3.86 116.67 118.45 1vea s ASP 119 Ca 0.12 2.11 0.09 0.00 0.43 0.00 0.00 52.55 55.30 1vea s ASP 119 Cb -0.07 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1vea s ASP 119 CO 0.56 -0.67 -0.18 0.26 -0.17 0.00 0.00 175.17 174.97 1vea s TRP 120 N 2.03 1.91 -0.02 -5.34 0.52 0.61 0.56 118.94 119.21 1vea s TRP 120 Ca 0.63 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.30 1vea s TRP 120 Cb -0.31 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1vea s TRP 120 CO 0.27 0.42 -0.07 -1.50 0.02 0.00 0.00 176.95 176.09 1vea s ILE 121 N -2.32 0.63 -0.05 2.03 2.07 0.10 0.11 121.20 123.77 1vea s ILE 121 Ca 0.20 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.21 1vea s ILE 121 Cb -0.05 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1vea s ILE 121 CO 0.08 0.21 -0.17 0.00 -1.91 0.00 0.00 174.94 173.16 1vea s ALA 122 N 0.29 1.52 -0.15 1.50 0.00 -0.05 -1.09 121.76 123.78 1vea s ALA 122 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1vea s ALA 122 Cb -0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1vea s ALA 122 CO 0.00 0.25 -0.14 0.08 0.00 0.00 0.00 175.76 175.95 1vea s VAL 123 N 0.17 2.81 -0.10 0.00 1.01 0.21 -1.08 120.40 123.43 1vea s VAL 123 Ca -0.07 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1vea s VAL 123 Cb -0.13 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1vea s VAL 123 CO 0.03 0.52 -0.23 -0.94 0.00 0.00 0.00 175.10 174.47 1vea s SER 124 N 0.66 3.02 -0.06 3.32 1.04 0.41 -0.42 113.70 121.66 1vea s SER 124 Ca -0.07 -0.55 0.06 0.00 0.48 0.00 0.00 55.95 55.87 1vea s SER 124 Cb -0.16 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.59 1vea s SER 124 CO 0.02 0.15 -0.25 -0.76 0.98 0.00 0.00 173.24 173.39 1vea s LEU 125 N 0.35 2.07 -0.21 2.42 1.02 -0.15 -0.77 118.68 123.40 1vea s LEU 125 Ca -0.19 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.46 1vea s LEU 125 Cb -0.18 -1.37 0.05 0.00 0.02 0.00 0.00 46.19 44.71 1vea s LEU 125 CO 0.09 0.23 -0.10 -0.47 0.02 0.00 0.00 176.35 176.11 1vea s TYR 126 N -0.06 2.59 -0.09 0.29 5.04 -0.47 -1.27 117.35 123.36 1vea s TYR 126 Ca -0.06 -1.75 -0.03 0.00 -2.44 0.00 0.00 57.07 52.78 1vea s TYR 126 Cb -0.14 -1.70 -0.04 0.00 0.35 0.00 0.00 41.96 40.43 1vea s TYR 126 CO 0.05 -0.78 0.04 0.20 -1.34 0.00 0.00 175.55 173.72 1vea s GLY 127 N 1.34 1.95 -0.25 8.97 0.00 0.84 -1.57 107.32 118.59 1vea s GLY 127 Ca -0.03 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1vea s GLY 127 CO -0.08 -0.52 -0.05 -0.51 0.00 0.00 0.00 173.10 171.95 1vea s THR 128 N -0.93 1.71 -0.45 0.90 -4.23 0.42 0.09 115.64 113.15 1vea s THR 128 Ca 0.14 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.04 1vea s THR 128 Cb -0.12 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1vea s THR 128 CO 0.03 -0.14 0.58 -0.63 -0.54 0.00 0.00 174.62 173.91 1vea s ILE 129 N 1.30 4.92 0.30 2.99 1.01 -0.20 -0.91 121.20 130.60 1vea s ILE 129 Ca -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1vea s ILE 129 Cb -0.19 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1vea s ILE 129 CO -0.07 -0.59 0.35 0.61 0.00 0.00 0.00 174.94 175.24 1vea n GLY 130 N 5.09 2.29 2.93 6.18 0.00 -0.98 -1.68 105.19 119.02 1vea n GLY 130 Ca -0.04 -2.20 -0.17 0.00 0.00 0.00 0.00 46.02 43.61 1vea n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vea s ALA 131 N -2.38 0.47 0.61 4.61 0.00 0.11 -4.82 121.76 120.36 1vea s ALA 131 Ca 0.26 -0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.33 1vea s ALA 131 Cb -0.02 -0.19 1.17 0.00 0.00 0.00 0.00 23.12 24.08 1vea s ALA 131 CO 0.17 0.07 1.59 -1.35 0.00 0.00 0.00 175.76 176.24 1vea h PRO 132 N 6.36 0.00 0.00 0.00 0.11 -1.93 -2.35 132.00 134.19 1vea h PRO 132 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1vea h PRO 132 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vea h PRO 132 CO 0.49 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.39 1vea n ILE 133 N -3.37 0.00 0.31 4.15 -0.00 -1.26 -4.76 119.36 114.43 1vea n ILE 133 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.92 1vea n ILE 133 Cb 1.05 -0.52 0.17 0.00 -0.00 0.00 0.00 39.64 40.34 1vea n ILE 133 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1vea h LYS 134 N 0.00 0.00 0.00 0.38 2.10 -1.99 -3.46 116.57 113.60 1vea h LYS 134 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vea h LYS 134 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1vea h LYS 134 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1vea n GLY 135 N -1.41 0.29 3.66 0.07 0.00 -0.89 -4.82 105.19 102.09 1vea n GLY 135 Ca -0.00 -0.95 -0.50 0.00 0.00 0.00 0.00 46.02 44.57 1vea n GLY 135 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vea n LEU 136 N 0.00 2.66 0.00 0.99 -0.00 -1.26 -0.72 117.00 118.68 1vea n LEU 136 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 57.08 1vea n LEU 136 Cb 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 1vea n LEU 136 CO 0.00 -0.47 -0.33 -0.62 -0.00 0.00 0.00 177.39 175.97 1vea n GLU 137 N 4.15 2.06 -3.59 1.96 1.02 -0.68 -4.90 120.64 120.67 1vea n GLU 137 Ca 0.20 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 1vea n GLU 137 Cb 0.24 -0.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 1vea n GLU 137 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1vea s HIS 138 N -1.56 -0.31 0.11 -0.32 2.46 -1.11 -5.03 115.29 109.55 1vea s HIS 138 Ca 0.00 0.51 0.09 0.00 0.47 0.00 0.00 55.06 56.14 1vea s HIS 138 Cb 0.00 0.46 -0.04 0.00 -0.13 0.00 0.00 32.58 32.87 1vea s HIS 138 CO 0.00 -0.29 -0.20 -1.21 -2.47 0.00 0.00 174.74 170.57 1vea s GLU 139 N -1.15 1.71 -0.00 2.88 2.02 -1.26 -1.04 118.70 121.86 1vea s GLU 139 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1vea s GLU 139 Cb -0.01 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.17 1vea s GLU 139 CO -0.00 0.48 0.00 0.95 0.02 0.00 0.00 175.26 176.71 1vea s THR 140 N -1.10 -0.00 0.14 3.63 -4.23 0.11 -4.96 115.64 109.23 1vea s THR 140 Ca 0.17 0.04 0.09 0.00 -1.18 0.00 0.00 61.69 60.80 1vea s THR 140 Cb -0.10 -0.03 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 1vea s THR 140 CO 0.09 0.02 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.62 1vea s PHE 141 N 0.20 1.87 0.02 3.99 0.40 -1.26 0.29 117.98 123.49 1vea s PHE 141 Ca -0.02 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.63 1vea s PHE 141 Cb -0.03 -0.98 0.06 0.00 0.51 0.00 0.00 43.02 42.58 1vea s PHE 141 CO -0.01 0.29 0.57 0.20 0.70 0.00 0.00 175.22 176.97 1vea s GLY 142 N -2.28 -0.48 -0.04 4.36 0.00 -0.40 -2.50 107.32 105.99 1vea s GLY 142 Ca 0.12 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.60 1vea s GLY 142 CO 0.06 0.51 0.17 0.14 0.00 0.00 0.00 173.10 173.98 1vea s VAL 143 N -2.02 0.03 -0.05 1.40 1.01 -1.26 -0.98 120.40 118.54 1vea s VAL 143 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1vea s VAL 143 Cb -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1vea s VAL 143 CO 0.02 -0.16 -0.02 -0.83 0.00 0.00 0.00 175.10 174.11 1vea s GLY 144 N -0.53 0.39 -0.16 4.51 0.00 0.44 -3.38 107.32 108.58 1vea s GLY 144 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 1vea s GLY 144 CO 0.01 0.69 -0.04 -0.42 0.00 0.00 0.00 173.10 173.34 1vea s ILE 145 N 1.26 1.02 0.10 0.90 1.01 -1.26 -0.62 121.20 123.61 1vea s ILE 145 Ca -0.06 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1vea s ILE 145 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1vea s ILE 145 CO -0.02 0.12 -0.09 0.20 0.00 0.00 0.00 174.94 175.15 1vea s ASN 146 N 1.67 1.40 0.30 3.58 0.02 -0.25 -4.96 114.94 116.71 1vea s ASN 146 Ca 0.01 -0.87 -0.07 0.00 -1.02 0.00 0.00 52.86 50.90 1vea s ASN 146 Cb -0.15 0.03 -0.06 0.00 0.02 0.00 0.00 41.25 41.09 1vea s ASN 146 CO -0.08 -0.32 0.60 -1.38 0.02 0.00 0.00 177.10 175.95 1vea s HIS 147 N -2.79 3.46 -2.47 2.20 -3.43 -1.26 0.00 115.29 111.00 1vea s HIS 147 Ca 0.08 0.78 0.28 0.00 -0.80 0.00 0.00 55.06 55.40 1vea s HIS 147 Cb -0.01 -2.22 1.09 0.00 -1.43 0.00 0.00 32.58 30.02 1vea s HIS 147 CO -0.01 0.13 1.77 -0.89 -2.00 0.00 0.00 174.74 173.74