#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnd h SER 25 N 0.00 -0.17 -0.41 -2.13 0.02 -2.00 -1.12 113.55 107.75 2vnd h SER 25 Ca 0.00 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2vnd h SER 25 Cb 0.00 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2vnd h SER 25 CO 0.00 -0.15 0.23 -0.74 -1.14 0.00 0.00 176.83 175.03 2vnd h HIS 26 N 0.17 0.56 -0.31 3.45 -0.00 -2.02 -2.00 115.15 115.00 2vnd h HIS 26 Ca 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.83 2vnd h HIS 26 Cb 0.87 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.08 2vnd h HIS 26 CO -0.34 0.43 0.21 0.00 -0.00 0.00 0.00 177.93 178.22 2vnd h ALA 27 N 1.08 0.40 -0.94 5.26 0.00 -1.64 -1.46 119.26 121.96 2vnd h ALA 27 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2vnd h ALA 27 Cb 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2vnd h ALA 27 CO -0.02 -0.13 0.62 0.87 0.00 0.00 0.00 179.25 180.59 2vnd h LYS 28 N 0.42 1.20 -0.66 0.00 1.57 -1.07 0.13 116.57 118.17 2vnd h LYS 28 Ca 0.11 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2vnd h LYS 28 Cb -0.04 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 2vnd h LYS 28 CO -0.02 0.80 0.23 -0.91 -0.57 0.00 0.00 179.45 178.97 2vnd h ASN 29 N 1.24 0.93 -0.26 0.86 2.35 -1.00 -0.94 115.58 118.76 2vnd h ASN 29 Ca 0.36 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2vnd h ASN 29 Cb -0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 2vnd h ASN 29 CO -0.09 0.87 -0.11 -0.33 -1.65 0.00 0.00 177.43 176.12 2vnd h GLU 30 N 0.94 0.66 -0.29 0.81 5.08 -0.50 -2.79 114.58 118.50 2vnd h GLU 30 Ca 0.22 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2vnd h GLU 30 Cb 0.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2vnd h GLU 30 CO -0.01 0.76 0.04 0.00 -1.00 0.00 0.00 179.01 178.80 2vnd h ALA 31 N 1.28 0.38 -0.65 3.43 0.00 -0.37 -1.23 119.26 122.10 2vnd h ALA 31 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2vnd h ALA 31 Cb 0.54 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2vnd h ALA 31 CO 0.03 0.08 0.22 0.28 0.00 0.00 0.00 179.25 179.86 2vnd h VAL 32 N 0.29 0.70 -0.41 0.00 2.07 -1.09 -0.46 116.25 117.35 2vnd h VAL 32 Ca 0.09 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2vnd h VAL 32 Cb 0.35 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2vnd h VAL 32 CO 0.01 0.07 0.14 0.11 0.02 0.00 0.00 177.57 177.92 2vnd h LYS 33 N 0.38 0.63 -0.98 1.57 1.57 -1.25 -1.69 116.57 116.79 2vnd h LYS 33 Ca 0.34 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 2vnd h LYS 33 Cb 0.48 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 2vnd h LYS 33 CO -0.36 0.61 0.63 0.82 -0.57 0.00 0.00 179.45 180.58 2vnd h ILE 34 N 0.52 1.08 -0.08 1.86 2.04 -0.55 -2.83 117.51 119.55 2vnd h ILE 34 Ca 0.13 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2vnd h ILE 34 Cb 0.23 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2vnd h ILE 34 CO -0.01 0.21 0.00 -1.22 0.00 0.00 0.00 178.15 177.13 2vnd n TYR 35 N -4.52 0.09 -0.23 1.37 4.02 -0.24 -3.70 117.16 113.94 2vnd n TYR 35 Ca 0.15 -0.05 0.17 0.00 -0.01 0.00 0.00 57.90 58.17 2vnd n TYR 35 Cb 0.19 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.00 2vnd n TYR 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2vnd h ARG 36 N 2.00 0.44 -0.00 -0.72 3.08 -1.05 -0.16 114.38 117.97 2vnd h ARG 36 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2vnd h ARG 36 Cb 0.43 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2vnd h ARG 36 CO 0.00 0.29 -0.02 -0.25 -1.07 0.00 0.00 179.97 178.91 2vnd n ASP 37 N -4.51 0.44 -2.91 7.04 8.00 -1.24 -4.41 116.55 118.95 2vnd n ASP 37 Ca 0.18 -0.95 -0.13 0.00 0.71 0.00 0.00 54.79 54.60 2vnd n ASP 37 Cb 0.63 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2vnd n ASP 37 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2vnd n HIS 38 N -0.75 -2.44 -1.67 1.24 -0.00 -0.08 -5.04 115.22 106.48 2vnd n HIS 38 Ca 0.20 -2.30 -0.42 0.00 0.46 0.00 0.00 57.72 55.66 2vnd n HIS 38 Cb 0.21 0.95 -0.00 0.00 -0.12 0.00 0.00 29.99 31.03 2vnd n HIS 38 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2vnd n PRO 39 N 1.82 2.81 -3.74 1.57 -0.04 -1.17 -4.83 135.00 131.41 2vnd n PRO 39 Ca 0.15 -2.54 -0.16 0.00 -0.04 0.00 0.00 63.50 60.91 2vnd n PRO 39 Cb 0.58 -3.24 -0.16 0.00 -0.04 0.00 0.00 33.50 30.64 2vnd n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2vnd s VAL 40 N 3.25 -0.08 0.57 0.52 1.01 -1.26 -0.76 120.40 123.65 2vnd s VAL 40 Ca 0.49 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 2vnd s VAL 40 Cb 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 2vnd s VAL 40 CO -0.08 0.11 1.10 -0.94 0.00 0.00 0.00 175.10 175.30 2vnd s SER 41 N 1.40 5.66 -0.05 3.32 1.04 0.97 -4.83 113.70 121.20 2vnd s SER 41 Ca -0.05 2.04 -0.26 0.00 0.48 0.00 0.00 55.95 58.16 2vnd s SER 41 Cb -0.13 -2.56 -0.22 0.00 0.10 0.00 0.00 66.02 63.21 2vnd s SER 41 CO -0.03 -1.25 1.10 0.15 0.98 0.00 0.00 173.24 174.18 2vnd h PHE 42 N 0.83 0.06 0.00 5.02 3.57 -0.96 -1.75 116.94 123.71 2vnd h PHE 42 Ca -0.49 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.92 2vnd h PHE 42 Cb 1.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2vnd h PHE 42 CO 0.54 0.71 -0.38 1.88 -2.23 0.00 0.00 178.31 178.83 2vnd h TYR 43 N -0.60 0.00 0.00 0.41 0.05 -1.94 -3.40 116.97 111.49 2vnd h TYR 43 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2vnd h TYR 43 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2vnd h TYR 43 CO 0.16 1.05 -1.09 0.00 -1.05 0.00 0.00 178.16 177.23 2vnd n GLY 45 N 1.43 0.24 3.83 0.00 0.00 -0.66 -4.83 105.19 105.20 2vnd n GLY 45 Ca 0.02 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 2vnd n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vnd s GLU 47 N -2.61 3.44 -0.05 0.00 2.02 -1.26 -0.02 118.70 120.22 2vnd s GLU 47 Ca 0.51 1.50 0.05 0.00 0.02 0.00 0.00 54.97 57.04 2vnd s GLU 47 Cb -0.13 -2.03 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 2vnd s GLU 47 CO 0.18 -0.75 -0.19 0.42 0.02 0.00 0.00 175.26 174.94 2vnd s ILE 48 N -1.92 1.60 -0.39 -1.63 1.01 0.06 -0.53 121.20 119.39 2vnd s ILE 48 Ca 0.70 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 2vnd s ILE 48 Cb -0.21 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.90 2vnd s ILE 48 CO 0.26 0.45 0.29 -0.60 0.00 0.00 0.00 174.94 175.35 2vnd s ARG 49 N 0.04 3.08 0.21 2.79 3.52 -0.16 -4.78 118.95 123.66 2vnd s ARG 49 Ca -0.05 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.31 2vnd s ARG 49 Cb -0.13 -3.94 -0.08 0.00 -1.56 0.00 0.00 34.95 29.24 2vnd s ARG 49 CO 0.03 -0.68 1.05 -1.58 -0.81 0.00 0.00 175.30 173.31 2vnd s TRP 50 N 1.69 3.70 -0.25 5.12 0.52 -1.26 -0.58 118.94 127.87 2vnd s TRP 50 Ca 0.05 1.72 -0.02 0.00 0.02 0.00 0.00 56.10 57.87 2vnd s TRP 50 Cb -0.19 -3.19 0.14 0.00 -1.15 0.00 0.00 33.47 29.08 2vnd s TRP 50 CO 0.10 -0.28 0.39 -1.14 0.02 0.00 0.00 176.95 176.05 2vnd s GLN 51 N -0.81 0.37 7.90 4.98 0.74 0.43 -4.97 119.66 128.30 2vnd s GLN 51 Ca 0.46 0.53 0.00 0.00 0.05 0.00 0.00 55.36 56.40 2vnd s GLN 51 Cb -0.29 -0.40 0.00 0.00 1.10 0.00 0.00 33.01 33.42 2vnd s GLN 51 CO 0.35 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 2vnd n GLY 52 N 5.37 3.52 0.67 2.59 0.00 -1.26 -2.01 105.19 114.07 2vnd n GLY 52 Ca -0.03 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2vnd n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2vnd n LYS 53 N 13.89 1.91 -4.07 1.61 -0.00 -1.26 -4.94 118.16 125.31 2vnd n LYS 53 Ca 0.00 -1.33 -0.30 0.00 -0.00 0.00 0.00 58.31 56.68 2vnd n LYS 53 Cb 0.00 -1.46 -0.07 0.00 -0.00 0.00 0.00 35.03 33.50 2vnd n LYS 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2vnd s LYS 54 N -1.90 2.81 -0.09 -1.58 1.02 -0.85 -4.94 119.74 114.20 2vnd s LYS 54 Ca 0.35 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.59 2vnd s LYS 54 Cb 0.20 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2vnd s LYS 54 CO 0.31 0.55 -0.10 0.20 -0.92 0.00 0.00 175.35 175.39 2vnd s GLY 55 N -2.46 1.62 -0.30 -3.33 0.00 -1.26 -0.43 107.32 101.16 2vnd s GLY 55 Ca 0.29 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 2vnd s GLY 55 CO 0.21 -0.49 0.00 -0.42 0.00 0.00 0.00 173.10 172.41 2vnd s ILE 56 N -0.34 2.84 0.30 0.90 1.01 0.25 -0.69 121.20 125.47 2vnd s ILE 56 Ca 0.04 -1.53 -0.28 0.00 0.00 0.00 0.00 60.65 58.88 2vnd s ILE 56 Cb -0.13 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 2vnd s ILE 56 CO 0.02 -0.17 1.03 -2.16 0.00 0.00 0.00 174.94 173.66 2vnd s PRO 57 N 1.20 4.58 -0.75 2.79 0.04 -1.26 -0.99 135.00 140.61 2vnd s PRO 57 Ca -0.04 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 2vnd s PRO 57 Cb -0.20 -3.02 0.09 0.00 0.04 0.00 0.00 34.50 31.42 2vnd s PRO 57 CO -0.02 0.22 1.00 0.34 0.04 0.00 0.00 177.00 178.58 2vnd s ASP 58 N -1.20 6.33 0.33 6.66 -1.08 0.30 -4.92 116.67 123.10 2vnd s ASP 58 Ca 0.47 -1.40 0.07 0.00 -0.52 0.00 0.00 52.55 51.17 2vnd s ASP 58 Cb -0.26 -2.40 0.59 0.00 -1.46 0.00 0.00 42.92 39.38 2vnd s ASP 58 CO 0.34 -1.28 1.80 -0.07 0.52 0.00 0.00 175.17 176.47 2vnd h LEU 59 N 10.93 0.27 -1.19 -1.34 3.38 -1.91 -2.60 115.31 122.86 2vnd h LEU 59 Ca -0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2vnd h LEU 59 Cb 1.06 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2vnd h LEU 59 CO 1.15 0.54 0.28 -0.33 0.09 0.00 0.00 178.44 180.17 2vnd h GLU 60 N 0.25 0.84 -0.37 1.13 3.07 -1.91 -0.61 114.58 116.98 2vnd h GLU 60 Ca 0.04 -0.11 0.06 0.00 -0.50 0.00 0.00 59.36 58.85 2vnd h GLU 60 Cb 0.60 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2vnd h GLU 60 CO 0.04 0.66 0.26 0.66 -1.40 0.00 0.00 179.01 179.23 2vnd h SER 61 N 0.84 0.21 0.00 1.42 4.64 -1.85 -2.04 113.55 116.77 2vnd h SER 61 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2vnd h SER 61 Cb 0.10 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2vnd h SER 61 CO -0.03 0.14 -0.01 0.00 -0.87 0.00 0.00 176.83 176.06 2vnd n GLY 63 N -0.87 -0.33 3.71 0.00 0.00 -0.77 -4.04 105.19 102.90 2vnd n GLY 63 Ca 0.07 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2vnd n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vnd s TYR 64 N -2.86 3.26 -0.29 1.61 5.04 -0.29 -0.81 117.35 123.00 2vnd s TYR 64 Ca 0.02 1.01 -0.08 0.00 -2.44 0.00 0.00 57.07 55.59 2vnd s TYR 64 Cb -0.01 -3.63 -0.00 0.00 0.35 0.00 0.00 41.96 38.67 2vnd s TYR 64 CO 0.02 -2.17 0.10 -1.14 -1.34 0.00 0.00 175.55 171.02 2vnd s GLN 65 N 1.18 3.25 0.07 4.97 0.74 -0.84 -4.71 119.66 124.32 2vnd s GLN 65 Ca 0.63 -0.76 -0.31 0.00 0.05 0.00 0.00 55.36 54.98 2vnd s GLN 65 Cb -0.35 -3.41 -0.08 0.00 1.10 0.00 0.00 33.01 30.27 2vnd s GLN 65 CO 0.30 -0.39 1.53 0.08 -0.55 0.00 0.00 175.29 176.26 2vnd s VAL 66 N 1.55 3.22 -0.19 1.34 1.01 -1.26 -4.42 120.40 121.64 2vnd s VAL 66 Ca 0.04 0.72 0.15 0.00 0.00 0.00 0.00 61.98 62.88 2vnd s VAL 66 Cb -0.17 -3.46 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 2vnd s VAL 66 CO 0.03 0.01 0.08 -2.11 0.00 0.00 0.00 175.10 173.12 2vnd n ARG 67 N 5.10 0.68 0.07 2.72 1.85 -1.26 -5.00 116.66 120.82 2vnd n ARG 67 Ca 0.14 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 2vnd n ARG 67 Cb 0.41 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 2vnd n ARG 67 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2vnd n LYS 68 N -2.86 0.00 -3.15 2.89 3.00 -1.26 -5.06 118.16 111.72 2vnd n LYS 68 Ca -0.33 0.00 -0.46 0.00 -0.00 0.00 0.00 58.31 57.52 2vnd n LYS 68 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 36.13 2vnd n LYS 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2vnd s GLN 69 N -2.00 3.61 0.19 1.64 1.11 -1.26 -4.89 119.66 118.06 2vnd s GLN 69 Ca 0.00 -2.15 -0.08 0.00 0.01 0.00 0.00 55.36 53.14 2vnd s GLN 69 Cb 0.00 -4.65 0.10 0.00 -1.01 0.00 0.00 33.01 27.45 2vnd s GLN 69 CO 0.00 -1.51 1.65 0.93 0.01 0.00 0.00 175.29 176.37 2vnd h GLU 70 N 8.25 1.03 -0.31 2.91 5.08 -1.98 -0.42 114.58 129.14 2vnd h GLU 70 Ca 0.13 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2vnd h GLU 70 Cb 1.03 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 2vnd h GLU 70 CO 0.91 1.02 0.01 -2.95 -1.00 0.00 0.00 179.01 177.01 2vnd h ASN 71 N 0.94 -0.10 0.13 1.42 -1.07 -2.00 -2.69 115.58 112.21 2vnd h ASN 71 Ca 0.16 0.07 -0.15 0.00 0.07 0.00 0.00 56.30 56.45 2vnd h ASN 71 Cb 0.58 0.12 -0.01 0.00 -2.07 0.00 0.00 38.32 36.93 2vnd h ASN 71 CO 0.03 -0.02 -0.53 0.03 0.07 0.00 0.00 177.43 177.01 2vnd h ARG 72 N 0.10 0.44 0.00 4.14 2.47 -1.81 -2.97 114.38 116.75 2vnd h ARG 72 Ca 0.15 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 2vnd h ARG 72 Cb 0.19 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2vnd h ARG 72 CO -0.24 0.86 -0.10 0.00 0.56 0.00 0.00 179.97 181.05 2vnd h ALA 73 N 1.09 1.05 0.00 0.04 0.00 -0.90 -1.90 119.26 118.64 2vnd h ALA 73 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2vnd h ALA 73 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2vnd h ALA 73 CO 0.09 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 2vnd n SER 74 N -3.29 0.00 -4.03 0.00 3.41 -1.03 -4.65 113.62 104.04 2vnd n SER 74 Ca -0.00 -0.18 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 2vnd n SER 74 Cb 0.33 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 2vnd n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vnd s ARG 75 N -2.53 0.59 0.21 4.33 1.70 -1.15 -4.42 118.95 117.67 2vnd s ARG 75 Ca 0.28 -1.04 -0.28 0.00 -0.47 0.00 0.00 55.73 54.22 2vnd s ARG 75 Cb 0.19 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.70 2vnd s ARG 75 CO 0.43 -0.12 0.87 0.42 -1.08 0.00 0.00 175.30 175.83 2vnd s ILE 76 N -3.38 4.19 0.07 4.99 -1.09 0.13 -0.72 121.20 125.40 2vnd s ILE 76 Ca 0.02 1.94 0.06 0.00 -2.23 0.00 0.00 60.65 60.44 2vnd s ILE 76 Cb 0.04 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2vnd s ILE 76 CO -0.08 0.51 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.35 2vnd s GLU 77 N -1.17 1.06 -0.42 2.79 2.02 0.20 -4.60 118.70 118.59 2vnd s GLU 77 Ca 0.39 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 2vnd s GLU 77 Cb -0.25 -1.18 0.02 0.00 0.10 0.00 0.00 34.13 32.83 2vnd s GLU 77 CO 0.30 0.28 1.18 -1.58 0.02 0.00 0.00 175.26 175.46 2vnd s TRP 78 N -1.03 2.81 0.03 1.61 0.52 -1.26 -0.86 118.94 120.76 2vnd s TRP 78 Ca 0.04 0.82 -0.30 0.00 0.02 0.00 0.00 56.10 56.67 2vnd s TRP 78 Cb -0.09 -4.23 -0.04 0.00 -1.15 0.00 0.00 33.47 27.96 2vnd s TRP 78 CO 0.03 -1.31 0.96 -2.00 0.02 0.00 0.00 176.95 174.65 2vnd s GLU 79 N 4.35 4.60 -0.59 4.98 2.56 0.13 -4.90 118.70 129.81 2vnd s GLU 79 Ca 0.50 1.40 -0.21 0.00 0.00 0.00 0.00 54.97 56.66 2vnd s GLU 79 Cb -0.10 -3.43 0.07 0.00 2.00 0.00 0.00 34.13 32.67 2vnd s GLU 79 CO 0.28 0.04 0.84 -1.01 -0.56 0.00 0.00 175.26 174.85 2vnd s HIS 80 N 0.68 2.84 0.08 5.30 3.76 -1.26 -1.68 115.29 125.01 2vnd s HIS 80 Ca 0.50 -0.52 -0.28 0.00 -0.15 0.00 0.00 55.06 54.61 2vnd s HIS 80 Cb -0.22 -4.03 -0.17 0.00 1.11 0.00 0.00 32.58 29.28 2vnd s HIS 80 CO 0.28 -1.39 1.68 0.28 -0.85 0.00 0.00 174.74 174.74 2vnd h VAL 81 N 5.95 0.64 -3.24 -0.90 2.07 -1.44 -3.23 116.25 116.10 2vnd h VAL 81 Ca -0.28 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.66 2vnd h VAL 81 Cb 1.08 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2vnd h VAL 81 CO 1.10 0.00 0.74 -0.69 0.02 0.00 0.00 177.57 178.74 2vnd s VAL 82 N -6.12 4.63 0.57 2.57 1.01 -1.26 -5.03 120.40 116.77 2vnd s VAL 82 Ca -0.15 1.76 -0.20 0.00 0.00 0.00 0.00 61.98 63.39 2vnd s VAL 82 Cb 0.05 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2vnd s VAL 82 CO 0.64 -0.31 1.23 -2.84 0.00 0.00 0.00 175.10 173.82 2vnd s PRO 83 N 3.34 3.08 0.30 2.72 0.02 -1.22 -4.82 135.00 138.43 2vnd s PRO 83 Ca 0.42 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.38 2vnd s PRO 83 Cb -0.14 -2.04 0.76 0.00 0.02 0.00 0.00 34.50 33.10 2vnd s PRO 83 CO 0.11 -1.14 1.62 0.00 -0.33 0.00 0.00 177.00 177.26 2vnd h ALA 84 N 1.12 1.28 -0.83 -1.55 0.00 -1.95 0.98 119.26 118.31 2vnd h ALA 84 Ca -0.50 0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2vnd h ALA 84 Cb 1.29 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2vnd h ALA 84 CO 0.56 -0.54 0.55 2.35 0.00 0.00 0.00 179.25 182.17 2vnd h TRP 85 N 0.12 1.03 -0.37 0.00 7.01 -1.96 0.86 115.95 122.63 2vnd h TRP 85 Ca 0.58 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.53 2vnd h TRP 85 Cb 1.22 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 2vnd h TRP 85 CO -0.33 0.62 -0.08 0.37 -2.79 0.00 0.00 178.44 176.24 2vnd h GLN 86 N 1.09 0.71 -0.00 2.65 4.15 -1.21 -0.06 115.11 122.45 2vnd h GLN 86 Ca 0.32 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2vnd h GLN 86 Cb -0.07 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2vnd h GLN 86 CO -0.09 0.86 -0.09 1.97 -1.93 0.00 0.00 178.83 179.55 2vnd n PHE 87 N -4.39 0.00 0.00 3.99 1.16 -0.58 -4.47 117.46 113.18 2vnd n PHE 87 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 2vnd n PHE 87 Cb 0.34 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 2vnd n PHE 87 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2vnd n GLY 88 N 1.28 0.00 0.25 4.97 0.00 0.27 -4.83 105.19 107.13 2vnd n GLY 88 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2vnd n GLY 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2vnd h HIS 89 N 0.00 0.00 0.00 1.61 2.07 -1.18 -1.07 115.15 116.58 2vnd h HIS 89 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2vnd h HIS 89 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2vnd h HIS 89 CO 0.00 0.12 0.00 1.04 -3.07 0.00 0.00 177.93 176.02 2vnd n GLN 90 N -3.99 0.26 -2.17 5.12 1.13 -1.26 -4.10 117.38 112.37 2vnd n GLN 90 Ca -0.02 0.26 -0.38 0.00 -1.94 0.00 0.00 57.00 54.92 2vnd n GLN 90 Cb 0.21 -1.83 -0.00 0.00 0.11 0.00 0.00 30.24 28.72 2vnd n GLN 90 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2vnd s LEU 91 N -4.59 4.02 0.26 1.08 1.43 -0.40 -4.90 118.68 115.58 2vnd s LEU 91 Ca 0.09 2.41 -0.04 0.00 -1.03 0.00 0.00 54.13 55.56 2vnd s LEU 91 Cb 0.12 -4.20 0.32 0.00 0.03 0.00 0.00 46.19 42.45 2vnd s LEU 91 CO 0.57 -0.99 1.85 1.56 0.23 0.00 0.00 176.35 179.56 2vnd h GLN 92 N 2.05 1.06 -0.98 1.70 7.50 -1.87 -1.61 115.11 122.95 2vnd h GLN 92 Ca -0.50 -0.16 0.18 0.00 0.50 0.00 0.00 58.65 58.68 2vnd h GLN 92 Cb 1.25 -0.19 -0.09 0.00 0.05 0.00 0.00 27.48 28.50 2vnd h GLN 92 CO 0.60 0.83 0.61 0.00 -1.50 0.00 0.00 178.83 179.37 2vnd h TRP 94 N 0.72 0.00 -0.62 0.00 2.91 -1.63 0.10 115.95 117.43 2vnd h TRP 94 Ca 0.54 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.70 2vnd h TRP 94 Cb 0.89 -0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.51 2vnd h TRP 94 CO -0.00 0.99 0.43 1.96 -1.03 0.00 0.00 178.44 180.79 2vnd h GLN 95 N -0.98 0.21 0.02 2.65 4.20 -1.13 0.16 115.11 120.24 2vnd h GLN 95 Ca -0.00 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 2vnd h GLN 95 Cb 0.99 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 2vnd h GLN 95 CO 0.00 0.14 -1.86 1.04 -0.67 0.00 0.00 178.83 177.48 2vnd n GLN 96 N -4.43 0.66 -0.44 1.46 6.02 -0.26 -4.79 117.38 115.60 2vnd n GLN 96 Ca 0.11 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 2vnd n GLN 96 Cb 0.54 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.06 2vnd n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vnd n GLY 97 N 1.67 0.61 7.00 1.08 0.00 0.01 -5.08 105.19 110.49 2vnd n GLY 97 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2vnd n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vnd n GLY 98 N 0.00 -1.26 0.26 -0.02 0.00 0.55 -3.12 105.19 101.60 2vnd n GLY 98 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.91 2vnd n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2vnd h ARG 99 N 0.00 0.37 -0.68 1.61 2.43 -1.88 -1.88 114.38 114.34 2vnd h ARG 99 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2vnd h ARG 99 Cb 0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2vnd h ARG 99 CO 0.00 0.24 0.32 -0.22 -1.51 0.00 0.00 179.97 178.81 2vnd h LYS 100 N 0.38 0.97 -0.19 0.20 3.64 -1.95 -0.02 116.57 119.60 2vnd h LYS 100 Ca 0.37 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2vnd h LYS 100 Cb 0.56 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2vnd h LYS 100 CO -0.40 0.76 0.09 -0.97 -2.27 0.00 0.00 179.45 176.66 2vnd h ASN 101 N 0.97 0.25 -0.84 4.20 -1.24 -1.30 -2.74 115.58 114.88 2vnd h ASN 101 Ca 0.24 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2vnd h ASN 101 Cb 0.11 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 2vnd h ASN 101 CO -0.03 0.30 0.47 0.00 -1.29 0.00 0.00 177.43 176.88 2vnd h THR 103 N 1.16 0.97 0.13 0.00 2.02 -0.94 -2.43 112.91 113.82 2vnd h THR 103 Ca 0.30 -0.01 -0.34 0.00 0.77 0.00 0.00 66.41 67.13 2vnd h THR 103 Cb 0.01 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2vnd h THR 103 CO -0.05 0.01 -1.76 -0.09 0.37 0.00 0.00 175.52 174.00 2vnd h ARG 104 N 0.04 0.28 -0.02 6.66 2.43 -1.06 -3.42 114.38 119.28 2vnd h ARG 104 Ca 0.04 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2vnd h ARG 104 Cb 0.13 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2vnd h ARG 104 CO -0.00 1.15 -0.14 2.41 -1.51 0.00 0.00 179.97 181.88 2vnd n THR 105 N -3.47 0.00 -3.34 0.20 -1.04 0.16 -4.91 114.28 101.89 2vnd n THR 105 Ca -0.24 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.05 61.20 2vnd n THR 105 Cb 1.06 1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 70.84 2vnd n THR 105 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2vnd s SER 106 N -1.83 0.74 0.28 8.00 0.15 -0.93 -4.97 113.70 115.14 2vnd s SER 106 Ca 0.20 -1.45 0.03 0.00 0.70 0.00 0.00 55.95 55.43 2vnd s SER 106 Cb 0.16 0.78 0.68 0.00 -1.71 0.00 0.00 66.02 65.93 2vnd s SER 106 CO 0.33 -0.25 1.72 -0.65 1.20 0.00 0.00 173.24 175.59 2vnd h PRO 107 N 7.06 0.47 -0.75 5.44 0.11 -1.91 -1.34 132.00 141.08 2vnd h PRO 107 Ca 0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2vnd h PRO 107 Cb 1.07 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2vnd h PRO 107 CO 0.19 0.31 0.32 1.05 -0.21 0.00 0.00 178.00 179.66 2vnd h GLU 108 N 0.49 1.10 -0.39 1.05 4.11 -1.94 0.01 114.58 119.01 2vnd h GLU 108 Ca 0.53 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 59.75 2vnd h GLU 108 Cb 0.94 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2vnd h GLU 108 CO -0.47 0.89 0.12 0.35 0.07 0.00 0.00 179.01 179.96 2vnd h PHE 109 N 1.07 0.62 -0.76 2.06 3.57 -1.73 -2.47 116.94 119.31 2vnd h PHE 109 Ca 0.25 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2vnd h PHE 109 Cb 0.18 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2vnd h PHE 109 CO 0.01 0.59 0.46 -0.91 -2.23 0.00 0.00 178.31 176.23 2vnd h ASN 110 N 0.48 0.90 -0.47 0.41 2.35 -0.89 -0.61 115.58 117.75 2vnd h ASN 110 Ca 0.12 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2vnd h ASN 110 Cb 0.26 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2vnd h ASN 110 CO -0.00 0.69 0.26 -0.61 -1.65 0.00 0.00 177.43 176.12 2vnd h GLN 111 N 1.04 0.64 -0.57 0.81 4.15 -0.88 -0.73 115.11 119.57 2vnd h GLN 111 Ca 0.27 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2vnd h GLN 111 Cb -0.05 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2vnd h GLN 111 CO -0.05 0.50 0.02 0.52 -1.93 0.00 0.00 178.83 177.89 2vnd h MET 112 N 0.62 0.99 -0.06 1.69 2.86 -0.93 -2.39 114.93 117.71 2vnd h MET 112 Ca 0.17 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2vnd h MET 112 Cb 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2vnd h MET 112 CO -0.03 0.98 -0.25 1.49 1.06 0.00 0.00 176.91 180.16 2vnd h GLU 113 N 0.88 0.11 -0.01 1.72 4.81 -0.88 -2.86 114.58 118.35 2vnd h GLU 113 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2vnd h GLU 113 Cb 0.51 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2vnd h GLU 113 CO 0.02 0.36 -0.34 0.00 -0.73 0.00 0.00 179.01 178.32 2vnd n ALA 114 N -2.49 3.26 -1.85 2.92 0.00 -0.30 -4.92 120.51 117.13 2vnd n ALA 114 Ca -0.02 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 2vnd n ALA 114 Cb 0.33 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 2vnd n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2vnd s ASP 115 N -2.51 5.99 0.53 0.00 -1.08 -0.92 -4.85 116.67 113.84 2vnd s ASP 115 Ca 0.22 1.83 0.30 0.00 -0.52 0.00 0.00 52.55 54.38 2vnd s ASP 115 Cb 0.19 -2.52 1.45 0.00 -1.46 0.00 0.00 42.92 40.57 2vnd s ASP 115 CO 0.54 -1.54 2.05 -0.07 0.52 0.00 0.00 175.17 176.67 2vnd h LEU 116 N 13.00 0.00 -1.66 -1.34 3.38 -1.91 -2.08 115.31 124.71 2vnd h LEU 116 Ca -0.39 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2vnd h LEU 116 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2vnd h LEU 116 CO 0.98 0.11 0.10 0.45 0.09 0.00 0.00 178.44 180.17 2vnd h HIS 117 N 0.00 0.31 -0.09 1.13 3.86 -1.96 -2.40 115.15 116.00 2vnd h HIS 117 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vnd h HIS 117 Cb 0.40 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2vnd h HIS 117 CO 0.00 0.25 0.00 -1.71 0.86 0.00 0.00 177.93 177.33 2vnd n ASN 118 N -4.44 1.62 -4.38 2.45 5.15 -0.78 -4.90 115.26 109.98 2vnd n ASN 118 Ca 0.00 -1.61 -0.34 0.00 -0.60 0.00 0.00 54.58 52.04 2vnd n ASN 118 Cb 0.12 -0.05 -0.13 0.00 -0.53 0.00 0.00 39.78 39.18 2vnd n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2vnd s LEU 119 N -1.80 2.99 0.05 1.20 1.43 -0.91 -0.96 118.68 120.68 2vnd s LEU 119 Ca 0.35 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2vnd s LEU 119 Cb 0.19 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2vnd s LEU 119 CO 0.30 0.07 -0.06 0.42 0.23 0.00 0.00 176.35 177.31 2vnd s THR 120 N 0.95 0.42 -0.26 5.49 -4.23 -0.68 -4.96 115.64 112.37 2vnd s THR 120 Ca -0.00 -1.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 2vnd s THR 120 Cb -0.15 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 72.85 2vnd s THR 120 CO 0.01 -0.58 0.80 -2.16 -0.54 0.00 0.00 174.62 172.15 2vnd s PRO 121 N -2.27 4.11 0.15 3.99 0.04 -1.26 0.17 135.00 139.92 2vnd s PRO 121 Ca -0.05 0.80 0.10 0.00 0.04 0.00 0.00 61.00 61.90 2vnd s PRO 121 Cb -0.05 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2vnd s PRO 121 CO -0.02 -0.57 -0.23 0.00 0.04 0.00 0.00 177.00 176.23 2vnd s ALA 122 N 2.87 2.54 0.16 8.56 0.00 -0.04 -0.24 121.76 135.60 2vnd s ALA 122 Ca 0.34 -1.49 -0.33 0.00 0.00 0.00 0.00 51.96 50.48 2vnd s ALA 122 Cb -0.15 -0.46 -0.12 0.00 0.00 0.00 0.00 23.12 22.39 2vnd s ALA 122 CO 0.09 0.51 1.71 -0.89 0.00 0.00 0.00 175.76 177.18 2vnd n ILE 123 N 0.63 0.11 -0.20 0.00 5.41 -1.26 -0.62 119.36 123.42 2vnd n ILE 123 Ca -0.15 -0.02 0.02 0.00 1.00 0.00 0.00 62.75 63.60 2vnd n ILE 123 Cb 0.54 -1.86 0.28 0.00 -0.71 0.00 0.00 39.64 37.89 2vnd n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2vnd h GLY 124 N 6.99 1.02 0.75 7.39 0.00 -0.16 -0.84 103.07 118.22 2vnd h GLY 124 Ca -0.45 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.55 2vnd h GLY 124 CO 0.93 0.34 0.17 -2.09 0.00 0.00 0.00 176.54 175.89 2vnd h GLU 125 N 0.94 0.35 -0.36 4.80 4.81 -1.67 -0.31 114.58 123.14 2vnd h GLU 125 Ca 0.28 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2vnd h GLU 125 Cb -0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2vnd h GLU 125 CO -0.07 0.23 0.19 0.28 -0.73 0.00 0.00 179.01 178.91 2vnd h VAL 126 N 0.36 1.14 -0.23 0.32 2.07 -1.54 -0.73 116.25 117.64 2vnd h VAL 126 Ca 0.17 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2vnd h VAL 126 Cb 0.11 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 2vnd h VAL 126 CO -0.14 0.15 -0.28 -1.13 0.02 0.00 0.00 177.57 176.19 2vnd h ASN 127 N 0.45 -0.90 -0.31 0.57 -1.24 -0.85 0.45 115.58 113.75 2vnd h ASN 127 Ca 0.12 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2vnd h ASN 127 Cb 0.07 0.41 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2vnd h ASN 127 CO -0.02 -0.31 0.20 1.23 -1.29 0.00 0.00 177.43 177.24 2vnd h GLY 128 N -0.30 0.44 0.81 1.57 0.00 -0.87 -1.72 103.07 102.99 2vnd h GLY 128 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2vnd h GLY 128 CO -0.40 0.17 0.01 3.43 0.00 0.00 0.00 176.54 179.75 2vnd h ASN 129 N 0.41 0.28 -0.17 0.19 2.35 -0.87 -2.61 115.58 115.15 2vnd h ASN 129 Ca 0.11 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2vnd h ASN 129 Cb -0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2vnd h ASN 129 CO -0.02 0.50 0.11 -0.09 -1.65 0.00 0.00 177.43 176.27 2vnd h ARG 130 N 0.05 0.25 0.00 0.81 1.12 -0.79 -3.47 114.38 112.35 2vnd h ARG 130 Ca 0.05 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2vnd h ARG 130 Cb 0.35 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2vnd h ARG 130 CO 0.01 0.18 0.00 0.45 -3.11 0.00 0.00 179.97 177.50 2vnd n SER 131 N -4.49 0.00 -1.01 -3.80 2.88 -0.66 -1.13 113.62 105.41 2vnd n SER 131 Ca -0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2vnd n SER 131 Cb 0.09 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.83 2vnd n SER 131 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2vnd n ASN 132 N 4.34 4.10 -4.73 -3.46 0.23 -1.26 -4.93 115.26 109.56 2vnd n ASN 132 Ca 0.00 -3.00 -0.42 0.00 -0.53 0.00 0.00 54.58 50.63 2vnd n ASN 132 Cb 0.00 -0.56 -0.02 0.00 -2.08 0.00 0.00 39.78 37.12 2vnd n ASN 132 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2vnd n PHE 133 N -0.37 2.79 -2.00 -2.53 3.72 -0.28 -4.92 117.46 113.87 2vnd n PHE 133 Ca 0.22 0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 57.41 2vnd n PHE 133 Cb 0.93 -2.63 0.01 0.00 -0.94 0.00 0.00 39.48 36.86 2vnd n PHE 133 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2vnd s SER 134 N 0.77 5.83 0.36 4.37 0.01 -1.24 -4.72 113.70 119.08 2vnd s SER 134 Ca 0.69 2.61 -0.26 0.00 1.31 0.00 0.00 55.95 60.30 2vnd s SER 134 Cb -0.51 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.00 2vnd s SER 134 CO 0.42 -1.17 1.06 -0.36 0.41 0.00 0.00 173.24 173.60 2vnd s PHE 135 N -1.36 3.38 0.29 2.43 0.08 -1.26 -1.96 117.98 119.59 2vnd s PHE 135 Ca 0.65 1.67 -0.03 0.00 0.12 0.00 0.00 56.93 59.33 2vnd s PHE 135 Cb -0.36 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 38.90 2vnd s PHE 135 CO 0.44 -0.58 0.39 0.45 -0.10 0.00 0.00 175.22 175.83 2vnd s SER 136 N -1.34 0.63 0.03 1.36 0.15 -0.45 -4.90 113.70 109.18 2vnd s SER 136 Ca 0.53 -1.37 0.05 0.00 0.70 0.00 0.00 55.95 55.86 2vnd s SER 136 Cb -0.25 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2vnd s SER 136 CO 0.32 -1.15 -0.14 0.00 1.20 0.00 0.00 173.24 173.47 2vnd s GLN 137 N -3.51 0.94 0.20 5.44 -2.07 -1.26 -4.06 119.66 115.34 2vnd s GLN 137 Ca 0.31 -0.72 -0.10 0.00 -1.82 0.00 0.00 55.36 53.04 2vnd s GLN 137 Cb 0.01 -0.94 -0.01 0.00 -1.09 0.00 0.00 33.01 30.98 2vnd s GLN 137 CO 0.17 0.23 0.34 1.67 -1.32 0.00 0.00 175.29 176.39 2vnd s TRP 138 N -0.78 0.47 0.39 9.60 -2.14 -1.26 -5.11 118.94 120.10 2vnd s TRP 138 Ca 0.02 -0.81 -0.01 0.00 2.66 0.00 0.00 56.10 57.96 2vnd s TRP 138 Cb -0.07 -0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.24 2vnd s TRP 138 CO 0.01 -0.81 0.61 1.21 -2.66 0.00 0.00 176.95 175.31 2vnd s ASN 139 N -3.01 6.25 0.52 -2.66 3.84 -1.26 -4.99 114.94 113.63 2vnd s ASN 139 Ca 0.22 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.83 2vnd s ASN 139 Cb 0.02 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.69 2vnd s ASN 139 CO 0.05 -0.39 0.00 0.61 -2.79 0.00 0.00 177.10 174.57 2vnd n GLY 140 N -1.92 -0.37 3.25 1.21 0.00 -1.26 -4.73 105.19 101.38 2vnd n GLY 140 Ca -0.03 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2vnd n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vnd s ILE 141 N 0.00 3.01 -0.40 -0.61 -1.09 -1.26 -5.00 121.20 115.86 2vnd s ILE 141 Ca 0.00 -0.65 0.11 0.00 -2.23 0.00 0.00 60.65 57.88 2vnd s ILE 141 Cb 0.00 -2.36 0.37 0.00 -1.58 0.00 0.00 42.46 38.89 2vnd s ILE 141 CO 0.00 0.43 1.07 -0.67 -1.23 0.00 0.00 174.94 174.54 2vnd n ASP 142 N 4.74 -0.78 0.00 3.58 2.03 -1.26 -5.11 116.55 119.75 2vnd n ASP 142 Ca -0.19 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.12 2vnd n ASP 142 Cb 0.50 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.54 2vnd n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vnd n GLY 143 N -0.02 0.57 3.75 0.27 0.00 -1.26 -4.46 105.19 104.04 2vnd n GLY 143 Ca 0.08 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 2vnd n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vnd s VAL 144 N -2.00 2.62 0.23 1.61 -7.23 -0.29 -4.74 120.40 110.60 2vnd s VAL 144 Ca 0.00 0.35 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 2vnd s VAL 144 Cb 0.00 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 2vnd s VAL 144 CO 0.00 -0.12 -0.11 0.42 -0.31 0.00 0.00 175.10 174.98 2vnd s THR 145 N -1.80 1.66 -0.28 5.32 -4.23 -1.26 -2.63 115.64 112.42 2vnd s THR 145 Ca 0.75 -2.18 0.13 0.00 -1.18 0.00 0.00 61.69 59.22 2vnd s THR 145 Cb -0.29 -2.17 0.48 0.00 1.34 0.00 0.00 72.50 71.86 2vnd s THR 145 CO 0.38 -0.50 1.15 -1.22 -0.54 0.00 0.00 174.62 173.88 2vnd n TYR 146 N -0.43 2.15 0.00 3.99 4.01 -1.24 -4.85 117.16 120.79 2vnd n TYR 146 Ca -0.07 -2.22 0.00 0.00 -0.16 0.00 0.00 57.90 55.45 2vnd n TYR 146 Cb 0.61 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2vnd n TYR 146 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vnd n GLY 147 N -0.65 3.14 0.21 2.72 0.00 -1.26 -1.98 105.19 107.36 2vnd n GLY 147 Ca 0.29 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2vnd n GLY 147 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2vnd h GLN 148 N 0.00 0.00 -6.51 1.61 1.08 -1.22 -3.43 115.11 106.64 2vnd h GLN 148 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2vnd h GLN 148 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2vnd h GLN 148 CO 0.00 0.21 0.66 0.00 -0.95 0.00 0.00 178.83 178.76 2vnd n GLU 150 N 4.02 1.59 -1.92 0.00 4.71 -1.26 -3.65 120.64 124.13 2vnd n GLU 150 Ca 0.11 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.16 55.99 2vnd n GLU 150 Cb 0.44 -1.43 0.02 0.00 -1.01 0.00 0.00 31.44 29.46 2vnd n GLU 150 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 2vnd s MET 151 N -1.91 3.49 -0.01 3.49 1.75 -1.26 -4.63 119.30 120.22 2vnd s MET 151 Ca 0.36 2.17 0.04 0.00 -1.25 0.00 0.00 55.69 57.01 2vnd s MET 151 Cb 0.19 -2.44 -0.01 0.00 2.84 0.00 0.00 34.83 35.41 2vnd s MET 151 CO 0.30 -0.89 -0.13 -0.65 -0.65 0.00 0.00 175.02 173.00 2vnd s GLN 152 N -2.67 1.08 -0.15 4.11 -0.21 -0.35 -4.25 119.66 117.21 2vnd s GLN 152 Ca 0.66 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 55.58 2vnd s GLN 152 Cb -0.38 -1.03 0.02 0.00 1.00 0.00 0.00 33.01 32.61 2vnd s GLN 152 CO 0.47 0.27 -0.16 0.08 -2.12 0.00 0.00 175.29 173.83 2vnd s VAL 153 N -0.28 1.72 -0.51 1.09 1.01 -1.08 -0.55 120.40 121.81 2vnd s VAL 153 Ca 0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2vnd s VAL 153 Cb -0.05 -1.59 0.11 0.00 0.00 0.00 0.00 36.38 34.85 2vnd s VAL 153 CO -0.00 0.48 0.45 0.21 0.00 0.00 0.00 175.10 176.24 2vnd s ASN 154 N 1.37 6.12 0.24 3.32 3.84 0.21 -1.13 114.94 128.91 2vnd s ASN 154 Ca 0.04 -1.67 -0.02 0.00 0.21 0.00 0.00 52.86 51.42 2vnd s ASN 154 Cb -0.13 -2.18 0.27 0.00 -0.55 0.00 0.00 41.25 38.66 2vnd s ASN 154 CO -0.10 -0.78 1.66 -0.26 -2.79 0.00 0.00 177.10 174.82 2vnd h PHE 155 N 8.80 0.73 -0.54 0.43 0.04 -1.93 -0.64 116.94 123.84 2vnd h PHE 155 Ca -0.29 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.27 2vnd h PHE 155 Cb 1.10 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2vnd h PHE 155 CO 0.69 0.84 0.17 -0.22 -0.60 0.00 0.00 178.31 179.19 2vnd h LYS 156 N 0.56 0.84 -0.01 1.51 3.64 -1.96 -3.15 116.57 118.01 2vnd h LYS 156 Ca 0.08 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2vnd h LYS 156 Cb 0.74 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2vnd h LYS 156 CO 0.06 0.77 -0.28 0.39 -2.27 0.00 0.00 179.45 178.12 2vnd n GLU 157 N -4.46 1.07 -3.69 1.90 -0.58 -1.18 -4.96 120.64 108.74 2vnd n GLU 157 Ca 0.02 -0.72 -0.22 0.00 -0.42 0.00 0.00 57.16 55.83 2vnd n GLU 157 Cb 0.20 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.62 2vnd n GLU 157 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2vnd n ARG 158 N -0.34 -5.19 -4.25 3.49 1.74 -0.29 -5.01 116.66 106.81 2vnd n ARG 158 Ca 0.12 0.65 -0.15 0.00 -0.77 0.00 0.00 57.85 57.69 2vnd n ARG 158 Cb 0.39 -5.29 -0.10 0.00 -1.02 0.00 0.00 32.46 26.44 2vnd n ARG 158 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2vnd s THR 159 N -3.60 1.23 -0.04 0.55 -4.23 -0.93 -3.61 115.64 105.01 2vnd s THR 159 Ca 0.06 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2vnd s THR 159 Cb -0.03 -1.76 0.03 0.00 1.34 0.00 0.00 72.50 72.08 2vnd s THR 159 CO 0.80 -0.66 0.10 0.00 -0.54 0.00 0.00 174.62 174.32 2vnd s ALA 160 N -3.00 -0.13 -0.31 3.99 0.00 -0.83 -0.62 121.76 120.87 2vnd s ALA 160 Ca 0.15 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 2vnd s ALA 160 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2vnd s ALA 160 CO 0.02 -0.12 0.16 1.41 0.00 0.00 0.00 175.76 177.22 2vnd s MET 161 N 0.99 3.44 0.50 0.00 1.75 0.29 -1.34 119.30 124.94 2vnd s MET 161 Ca -0.08 -0.65 -0.09 0.00 -1.25 0.00 0.00 55.69 53.62 2vnd s MET 161 Cb -0.11 -3.59 -0.05 0.00 2.84 0.00 0.00 34.83 33.92 2vnd s MET 161 CO -0.04 -0.38 0.87 -1.25 -0.65 0.00 0.00 175.02 173.57 2vnd s PRO 162 N 1.64 3.67 0.77 4.11 0.04 -1.26 -1.20 135.00 142.76 2vnd s PRO 162 Ca 0.05 0.50 -0.13 0.00 0.04 0.00 0.00 61.00 61.47 2vnd s PRO 162 Cb -0.17 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.16 2vnd s PRO 162 CO 0.07 -0.26 1.15 -2.14 0.04 0.00 0.00 177.00 175.86 2vnd s PRO 163 N -4.55 2.01 0.37 0.56 0.02 -1.26 -4.84 135.00 127.31 2vnd s PRO 163 Ca 0.52 1.53 0.13 0.00 0.02 0.00 0.00 61.00 63.20 2vnd s PRO 163 Cb -0.10 -1.84 0.95 0.00 0.02 0.00 0.00 34.50 33.52 2vnd s PRO 163 CO 0.42 -1.89 1.81 0.93 -0.33 0.00 0.00 177.00 177.95 2vnd h GLU 164 N -0.77 0.53 0.00 5.54 5.08 -1.95 -1.12 114.58 121.90 2vnd h GLU 164 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2vnd h GLU 164 Cb 1.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2vnd h GLU 164 CO 0.49 0.35 0.00 0.07 -1.00 0.00 0.00 179.01 178.92 2vnd h ARG 165 N 0.55 0.00 0.00 2.33 0.11 -1.90 -2.54 114.38 112.93 2vnd h ARG 165 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 2vnd h ARG 165 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2vnd h ARG 165 CO -0.28 0.00 -1.13 0.00 0.10 0.00 0.00 179.97 178.66 2vnd n ALA 166 N -2.04 3.42 -0.26 0.08 0.00 -0.44 -4.76 120.51 116.52 2vnd n ALA 166 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 52.96 2vnd n ALA 166 Cb 0.09 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.05 2vnd n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vnd h ARG 167 N 0.00 0.94 -0.15 0.00 3.08 -1.30 -1.06 114.38 115.89 2vnd h ARG 167 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2vnd h ARG 167 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2vnd h ARG 167 CO 0.00 0.62 0.03 0.78 -1.07 0.00 0.00 179.97 180.33 2vnd h GLY 168 N 0.97 0.27 0.97 0.04 0.00 -1.77 -1.42 103.07 102.13 2vnd h GLY 168 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2vnd h GLY 168 CO -0.07 0.16 0.36 0.00 0.00 0.00 0.00 176.54 176.99 2vnd h ALA 169 N 0.82 0.70 -0.02 3.60 0.00 -1.81 -0.73 119.26 121.82 2vnd h ALA 169 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2vnd h ALA 169 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2vnd h ALA 169 CO 0.00 0.11 -0.14 0.82 0.00 0.00 0.00 179.25 180.04 2vnd h ILE 170 N 0.72 0.64 -0.29 0.00 2.04 -1.09 -0.17 117.51 119.36 2vnd h ILE 170 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 2vnd h ILE 170 Cb -0.06 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 2vnd h ILE 170 CO -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.00 2vnd h ALA 171 N 0.73 0.16 0.00 1.87 0.00 -0.96 -0.31 119.26 120.75 2vnd h ALA 171 Ca 0.06 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2vnd h ALA 171 Cb 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2vnd h ALA 171 CO -0.15 -0.48 -0.35 0.00 0.00 0.00 0.00 179.25 178.26 2vnd h ARG 172 N -0.03 0.00 -0.14 0.00 3.08 -0.90 -0.84 114.38 115.55 2vnd h ARG 172 Ca 0.14 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 2vnd h ARG 172 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2vnd h ARG 172 CO -0.31 0.35 -0.43 1.15 -1.07 0.00 0.00 179.97 179.66 2vnd h THR 173 N 0.00 1.35 -0.50 2.04 2.02 -0.45 -1.60 112.91 115.77 2vnd h THR 173 Ca -0.00 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 2vnd h THR 173 Cb 0.70 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 2vnd h THR 173 CO 0.05 0.52 0.24 1.88 0.37 0.00 0.00 175.52 178.57 2vnd h TYR 174 N 0.18 0.72 -0.64 3.16 -1.99 -0.76 0.28 116.97 117.92 2vnd h TYR 174 Ca -0.01 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 2vnd h TYR 174 Cb 1.05 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 39.54 2vnd h TYR 174 CO 0.10 0.57 0.14 -0.07 -0.00 0.00 0.00 178.16 178.91 2vnd h LEU 175 N 0.66 0.98 0.25 3.88 3.38 -1.18 -0.91 115.31 122.37 2vnd h LEU 175 Ca 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2vnd h LEU 175 Cb 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2vnd h LEU 175 CO -0.02 0.97 -0.15 0.22 0.09 0.00 0.00 178.44 179.56 2vnd h TYR 176 N 0.95 -0.38 -0.68 1.13 3.20 -1.02 -1.83 116.97 118.34 2vnd h TYR 176 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2vnd h TYR 176 Cb 0.38 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2vnd h TYR 176 CO 0.03 -0.23 0.25 0.52 -1.64 0.00 0.00 178.16 177.09 2vnd h MET 177 N -0.38 1.01 0.02 1.82 2.86 -0.76 0.34 114.93 119.85 2vnd h MET 177 Ca -0.03 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2vnd h MET 177 Cb 0.31 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2vnd h MET 177 CO 0.03 0.84 -0.01 1.03 1.06 0.00 0.00 176.91 179.86 2vnd h SER 178 N 0.99 -0.02 -0.13 1.22 0.87 -1.03 -1.16 113.55 114.28 2vnd h SER 178 Ca 0.23 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2vnd h SER 178 Cb 0.22 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2vnd h SER 178 CO -0.02 0.03 -0.26 -0.08 -0.53 0.00 0.00 176.83 175.97 2vnd h GLU 179 N -0.08 0.41 -0.76 2.24 4.81 -1.03 0.32 114.58 120.49 2vnd h GLU 179 Ca -0.00 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 2vnd h GLU 179 Cb 0.07 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2vnd h GLU 179 CO 0.00 0.87 0.28 0.37 -0.73 0.00 0.00 179.01 179.80 2vnd h GLN 180 N -0.00 1.15 -0.02 1.92 5.75 -0.29 -3.33 115.11 120.29 2vnd h GLN 180 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 2vnd h GLN 180 Cb 0.86 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2vnd h GLN 180 CO 0.06 0.95 0.00 0.66 -2.65 0.00 0.00 178.83 177.85 2vnd n TYR 181 N -4.29 0.02 -2.32 3.99 4.01 -0.44 -5.01 117.16 113.11 2vnd n TYR 181 Ca 0.06 -0.15 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 2vnd n TYR 181 Cb 0.20 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2vnd n TYR 181 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vnd n GLY 182 N -0.03 0.20 3.66 2.72 0.00 0.04 -4.99 105.19 106.80 2vnd n GLY 182 Ca 0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2vnd n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vnd s LEU 183 N -2.20 4.15 -0.12 0.99 1.43 -0.79 -5.02 118.68 117.11 2vnd s LEU 183 Ca 0.05 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 2vnd s LEU 183 Cb -0.02 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2vnd s LEU 183 CO 0.06 -0.40 0.60 0.00 0.23 0.00 0.00 176.35 176.85 2vnd s ARG 184 N 2.22 4.34 0.06 1.70 1.04 -1.26 -4.49 118.95 122.56 2vnd s ARG 184 Ca 0.36 0.65 0.01 0.00 -1.04 0.00 0.00 55.73 55.71 2vnd s ARG 184 Cb -0.16 -3.48 -0.04 0.00 -2.04 0.00 0.00 34.95 29.23 2vnd s ARG 184 CO 0.11 0.01 0.15 -0.51 -0.04 0.00 0.00 175.30 175.03 2vnd s LEU 185 N 1.04 4.11 0.99 -1.89 1.43 -1.26 -5.09 118.68 118.01 2vnd s LEU 185 Ca 0.31 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2vnd s LEU 185 Cb -0.16 -2.73 0.19 0.00 0.03 0.00 0.00 46.19 43.51 2vnd s LEU 185 CO 0.13 0.18 1.10 -0.94 0.23 0.00 0.00 176.35 177.05 2vnd s SER 186 N -2.42 2.38 0.19 2.29 1.04 -1.26 -4.73 113.70 111.20 2vnd s SER 186 Ca 0.32 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.50 2vnd s SER 186 Cb -0.13 -2.44 0.21 0.00 0.10 0.00 0.00 66.02 63.76 2vnd s SER 186 CO 0.25 -3.38 1.73 0.50 0.98 0.00 0.00 173.24 173.32 2vnd h LYS 187 N -2.06 0.31 -0.51 4.02 3.64 -1.99 -0.91 116.57 119.07 2vnd h LYS 187 Ca -0.50 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 2vnd h LYS 187 Cb 1.29 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2vnd h LYS 187 CO 0.46 0.21 0.17 0.00 -2.27 0.00 0.00 179.45 178.02 2vnd h ALA 188 N 1.37 0.66 -0.49 5.00 0.00 -1.99 -2.08 119.26 121.74 2vnd h ALA 188 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2vnd h ALA 188 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2vnd h ALA 188 CO -0.29 0.31 -0.16 1.96 0.00 0.00 0.00 179.25 181.07 2vnd h GLN 189 N 0.68 0.95 -0.53 0.00 1.08 -1.84 -1.15 115.11 114.31 2vnd h GLN 189 Ca 0.16 -0.37 -0.12 0.00 -1.45 0.00 0.00 58.65 56.88 2vnd h GLN 189 Cb 0.25 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2vnd h GLN 189 CO -0.01 1.03 -0.13 -0.97 -0.95 0.00 0.00 178.83 177.80 2vnd h ASN 190 N 0.83 1.03 -0.61 1.46 -0.73 -1.09 -1.03 115.58 115.44 2vnd h ASN 190 Ca 0.12 -0.36 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 2vnd h ASN 190 Cb 0.71 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 2vnd h ASN 190 CO 0.05 1.15 0.30 -0.61 -0.37 0.00 0.00 177.43 177.96 2vnd h GLN 191 N 0.89 0.88 0.06 6.67 5.75 -1.22 -0.10 115.11 128.05 2vnd h GLN 191 Ca 0.13 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2vnd h GLN 191 Cb 0.70 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2vnd h GLN 191 CO 0.05 0.70 -0.08 1.25 -2.65 0.00 0.00 178.83 178.11 2vnd h LEU 192 N 0.84 -0.21 -0.60 -2.39 5.85 -0.98 -1.91 115.31 115.91 2vnd h LEU 192 Ca 0.21 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2vnd h LEU 192 Cb 0.11 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2vnd h LEU 192 CO -0.03 -0.12 -0.35 0.24 -0.34 0.00 0.00 178.44 177.84 2vnd h MET 193 N -0.17 0.73 -0.51 1.25 2.86 -1.02 0.69 114.93 118.76 2vnd h MET 193 Ca 0.01 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2vnd h MET 193 Cb 0.17 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2vnd h MET 193 CO -0.04 0.96 0.27 1.96 1.06 0.00 0.00 176.91 181.13 2vnd h GLN 194 N 0.61 0.51 0.42 1.72 1.08 -0.96 -0.74 115.11 117.74 2vnd h GLN 194 Ca 0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2vnd h GLN 194 Cb 0.88 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2vnd h GLN 194 CO 0.08 0.33 -0.20 0.00 -0.95 0.00 0.00 178.83 178.09 2vnd h ALA 195 N 1.27 -0.56 -0.54 3.87 0.00 -0.94 -1.91 119.26 120.45 2vnd h ALA 195 Ca 0.22 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2vnd h ALA 195 Cb 0.12 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2vnd h ALA 195 CO -0.15 -0.78 0.29 -1.49 0.00 0.00 0.00 179.25 177.12 2vnd h TRP 196 N -0.63 0.54 -0.36 0.00 4.06 -0.80 0.52 115.95 119.29 2vnd h TRP 196 Ca -0.06 0.02 0.06 0.00 2.06 0.00 0.00 58.89 60.97 2vnd h TRP 196 Cb 0.47 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.41 2vnd h TRP 196 CO -0.03 0.28 0.06 -0.97 -3.56 0.00 0.00 178.44 174.22 2vnd h ASN 197 N 0.57 -0.02 -0.40 -3.49 -1.24 -1.06 -0.04 115.58 109.90 2vnd h ASN 197 Ca 0.23 0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.25 2vnd h ASN 197 Cb 0.10 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 2vnd h ASN 197 CO -0.14 0.02 0.02 0.78 -1.29 0.00 0.00 177.43 176.83 2vnd h ASN 198 N 0.17 0.68 0.59 1.15 2.35 -0.74 -3.26 115.58 116.52 2vnd h ASN 198 Ca 0.17 -0.29 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 2vnd h ASN 198 Cb 0.21 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2vnd h ASN 198 CO -0.24 0.80 -0.72 -0.61 -1.65 0.00 0.00 177.43 175.01 2vnd h GLN 199 N 0.53 0.11 -3.22 0.81 5.75 -0.67 -3.40 115.11 115.01 2vnd h GLN 199 Ca 0.12 -0.09 -0.63 0.00 -0.15 0.00 0.00 58.65 57.89 2vnd h GLN 199 Cb 0.44 0.02 -0.41 0.00 1.07 0.00 0.00 27.48 28.60 2vnd h GLN 199 CO 0.02 0.78 -0.65 0.71 -2.65 0.00 0.00 178.83 177.03 2vnd s TYR 200 N -3.46 2.94 0.98 3.99 2.02 -0.05 -5.08 117.35 118.70 2vnd s TYR 200 Ca -0.02 -3.03 -0.12 0.00 -0.37 0.00 0.00 57.07 53.53 2vnd s TYR 200 Cb 0.12 -2.56 0.18 0.00 -0.40 0.00 0.00 41.96 39.30 2vnd s TYR 200 CO 0.79 -0.72 1.08 -2.14 -1.57 0.00 0.00 175.55 173.00 2vnd s PRO 201 N -0.35 0.55 0.46 -1.71 0.02 -1.26 -4.31 135.00 128.41 2vnd s PRO 201 Ca 0.19 0.74 -0.25 0.00 0.02 0.00 0.00 61.00 61.70 2vnd s PRO 201 Cb -0.21 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 2vnd s PRO 201 CO -0.03 -2.70 1.39 1.33 -0.33 0.00 0.00 177.00 176.65 2vnd n VAL 202 N -4.19 2.93 -2.29 3.83 0.24 -1.26 -4.94 118.33 112.65 2vnd n VAL 202 Ca 0.06 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.59 2vnd n VAL 202 Cb 0.56 -1.76 0.04 0.00 -1.47 0.00 0.00 33.84 31.21 2vnd n VAL 202 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2vnd s SER 203 N -0.56 5.34 0.14 -1.34 1.04 -1.26 -4.99 113.70 112.07 2vnd s SER 203 Ca 0.63 0.67 -0.17 0.00 0.48 0.00 0.00 55.95 57.56 2vnd s SER 203 Cb -0.45 -1.54 -0.00 0.00 0.10 0.00 0.00 66.02 64.12 2vnd s SER 203 CO 0.56 -1.26 1.80 -0.08 0.98 0.00 0.00 173.24 175.24 2vnd h GLU 204 N -0.35 0.41 -0.45 4.02 4.81 -2.00 -2.70 114.58 118.33 2vnd h GLU 204 Ca -0.45 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2vnd h GLU 204 Cb 1.27 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 2vnd h GLU 204 CO 0.61 0.27 0.06 2.35 -0.73 0.00 0.00 179.01 181.57 2vnd h TRP 205 N 0.43 0.09 -0.89 0.92 -0.00 -1.99 -1.10 115.95 113.41 2vnd h TRP 205 Ca 0.13 0.03 0.12 0.00 -0.00 0.00 0.00 58.89 59.16 2vnd h TRP 205 Cb -0.03 0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 29.08 2vnd h TRP 205 CO -0.06 -0.03 0.52 0.93 -0.00 0.00 0.00 178.44 179.80 2vnd h GLU 206 N 0.19 0.80 -0.19 2.65 5.08 -1.87 0.31 114.58 121.55 2vnd h GLU 206 Ca 0.22 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2vnd h GLU 206 Cb 0.30 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2vnd h GLU 206 CO -0.31 0.53 0.03 0.00 -1.00 0.00 0.00 179.01 178.25 2vnd h VAL 208 N 0.10 1.20 -0.60 0.00 2.07 -0.59 -2.46 116.25 115.96 2vnd h VAL 208 Ca 0.06 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2vnd h VAL 208 Cb 0.32 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 2vnd h VAL 208 CO 0.00 0.23 0.25 -0.09 0.02 0.00 0.00 177.57 177.99 2vnd h ARG 209 N 0.45 0.44 -0.79 1.57 2.43 -0.37 -0.41 114.38 117.70 2vnd h ARG 209 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2vnd h ARG 209 Cb 0.23 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2vnd h ARG 209 CO -0.01 0.29 0.32 0.22 -1.51 0.00 0.00 179.97 179.29 2vnd h ASP 210 N 0.46 1.10 -0.55 -3.80 3.58 -0.94 0.01 116.42 116.27 2vnd h ASP 210 Ca 0.30 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 2vnd h ASP 210 Cb 0.33 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2vnd h ASP 210 CO -0.27 0.97 0.15 1.56 -2.88 0.00 0.00 179.24 178.77 2vnd h GLN 211 N 1.16 0.87 -0.33 0.28 1.08 -0.96 -0.97 115.11 116.24 2vnd h GLN 211 Ca 0.27 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2vnd h GLN 211 Cb 0.21 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2vnd h GLN 211 CO -0.02 0.81 0.21 0.87 -0.95 0.00 0.00 178.83 179.75 2vnd h LYS 212 N 0.78 0.44 -0.35 1.46 1.57 -0.51 -2.29 116.57 117.67 2vnd h LYS 212 Ca 0.18 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2vnd h LYS 212 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2vnd h LYS 212 CO -0.00 0.31 0.03 0.82 -0.57 0.00 0.00 179.45 180.04 2vnd h ILE 213 N 0.44 1.25 -0.97 1.86 2.04 -0.96 -2.05 117.51 119.12 2vnd h ILE 213 Ca 0.12 -0.91 0.15 0.00 1.00 0.00 0.00 64.86 65.23 2vnd h ILE 213 Cb -0.03 1.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 2vnd h ILE 213 CO -0.02 0.30 0.58 -0.08 0.00 0.00 0.00 178.15 178.93 2vnd h GLU 214 N 0.43 0.80 -0.18 2.37 4.81 -1.07 0.28 114.58 122.02 2vnd h GLU 214 Ca 0.10 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2vnd h GLU 214 Cb 0.41 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2vnd h GLU 214 CO 0.01 0.53 -0.20 0.87 -0.73 0.00 0.00 179.01 179.49 2vnd h LYS 215 N 0.82 0.46 0.04 1.92 1.57 -1.03 -0.17 116.57 120.19 2vnd h LYS 215 Ca 0.52 -0.25 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 2vnd h LYS 215 Cb 0.69 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.03 2vnd h LYS 215 CO -0.33 0.83 -0.79 -0.39 -0.57 0.00 0.00 179.45 178.19 2vnd h VAL 216 N 0.11 1.40 0.00 0.50 -1.51 -0.97 -3.39 116.25 112.39 2vnd h VAL 216 Ca 0.03 -2.23 -0.32 0.00 -1.23 0.00 0.00 66.70 62.94 2vnd h VAL 216 Cb 0.75 2.69 -0.06 0.00 -2.13 0.00 0.00 31.29 32.54 2vnd h VAL 216 CO 0.05 0.66 -2.17 1.67 -1.23 0.00 0.00 177.57 176.54 2vnd n GLN 217 N -4.09 0.67 0.00 5.19 7.27 0.95 -5.03 117.38 122.34 2vnd n GLN 217 Ca -0.12 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.01 2vnd n GLN 217 Cb 0.77 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.83 2vnd n GLN 217 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vnd n GLY 218 N 1.66 1.32 3.29 1.69 0.00 -0.07 -5.02 105.19 108.05 2vnd n GLY 218 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2vnd n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vnd s ASN 219 N -0.85 2.59 0.02 1.61 4.22 -1.25 -4.89 114.94 116.40 2vnd s ASN 219 Ca 0.00 -0.66 -0.01 0.00 -2.14 0.00 0.00 52.86 50.05 2vnd s ASN 219 Cb 0.00 -0.16 -0.04 0.00 1.28 0.00 0.00 41.25 42.33 2vnd s ASN 219 CO 0.00 0.09 0.18 -0.55 -2.04 0.00 0.00 177.10 174.78 2vnd s SER 220 N -1.78 6.26 -0.55 3.54 0.15 -1.26 -3.55 113.70 116.51 2vnd s SER 220 Ca 0.07 0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 2vnd s SER 220 Cb -0.10 -1.93 0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2vnd s SER 220 CO 0.04 0.22 1.04 0.21 1.20 0.00 0.00 173.24 175.95 2vnd s ASN 221 N -2.18 6.41 0.52 5.45 3.84 -1.26 -4.93 114.94 122.78 2vnd s ASN 221 Ca 0.30 -0.09 0.21 0.00 0.21 0.00 0.00 52.86 53.49 2vnd s ASN 221 Cb -0.13 -2.49 1.39 0.00 -0.55 0.00 0.00 41.25 39.47 2vnd s ASN 221 CO 0.22 -1.30 2.12 0.08 -2.79 0.00 0.00 177.10 175.44 2vnd h ARG 222 N 9.36 0.00 0.00 0.43 0.11 -1.97 -0.78 114.38 121.53 2vnd h ARG 222 Ca -0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.80 2vnd h ARG 222 Cb 1.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 2vnd h ARG 222 CO 1.12 0.07 -0.12 0.74 0.10 0.00 0.00 179.97 181.88 2vnd h PHE 223 N 0.00 0.00 0.00 4.08 -1.00 -1.92 -0.72 116.94 117.39 2vnd h PHE 223 Ca -0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 2vnd h PHE 223 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2vnd h PHE 223 CO 0.00 0.12 -0.41 0.28 -1.61 0.00 0.00 178.31 176.69 2vnd h VAL 224 N 0.00 0.65 -0.55 -0.55 2.07 -1.52 -3.42 116.25 112.93 2vnd h VAL 224 Ca -0.00 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.93 2vnd h VAL 224 Cb 0.35 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2vnd h VAL 224 CO 0.02 0.22 0.36 -0.09 0.02 0.00 0.00 177.57 178.10 2vnd h ARG 225 N -1.00 0.69 0.00 1.57 9.65 -1.07 -1.73 114.38 122.49 2vnd h ARG 225 Ca -0.08 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 2vnd h ARG 225 Cb 0.66 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2vnd h ARG 225 CO -0.05 0.46 -0.01 0.93 2.80 0.00 0.00 179.97 184.10 2vnd h GLU 226 N 0.71 0.00 -0.28 0.20 5.08 -1.37 -2.00 114.58 116.92 2vnd h GLU 226 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2vnd h GLU 226 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2vnd h GLU 226 CO -0.05 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.01 2vnd n GLN 227 N -3.19 2.16 -4.26 2.33 6.02 -0.66 -5.03 117.38 114.75 2vnd n GLN 227 Ca -0.02 -2.00 -0.34 0.00 -0.01 0.00 0.00 57.00 54.63 2vnd n GLN 227 Cb 0.14 -1.41 -0.09 0.00 1.02 0.00 0.00 30.24 29.91 2vnd n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2vnd n PRO 229 N 1.85 2.81 0.00 0.00 -0.04 -1.26 -5.00 135.00 133.36 2vnd n PRO 229 Ca -0.17 1.03 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2vnd n PRO 229 Cb 0.53 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 2vnd n PRO 229 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73