#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlo h LYS 4 N 0.00 0.30 0.00 -1.46 3.64 -2.02 -2.75 116.57 114.28 2vlo h LYS 4 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2vlo h LYS 4 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2vlo h LYS 4 CO 0.00 0.88 0.00 0.07 -2.27 0.00 0.00 179.45 178.13 2vlo h ARG 5 N 0.21 0.00 -0.30 1.90 0.11 -1.99 -2.03 114.38 112.29 2vlo h ARG 5 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2vlo h ARG 5 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2vlo h ARG 5 CO 0.11 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.27 2vlo n ASN 6 N -2.31 2.58 -4.76 0.08 3.02 -1.04 -0.29 115.26 112.55 2vlo n ASN 6 Ca 0.01 -1.87 -0.24 0.00 -0.03 0.00 0.00 54.58 52.45 2vlo n ASN 6 Cb 0.21 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 2vlo n ASN 6 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2vlo s LYS 7 N -1.62 2.71 0.74 3.52 1.02 -0.76 -4.71 119.74 120.63 2vlo s LYS 7 Ca 0.35 -1.09 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 2vlo s LYS 7 Cb 0.20 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2vlo s LYS 7 CO 0.28 0.42 1.22 -1.25 -0.92 0.00 0.00 175.35 175.11 2vlo s PRO 8 N -3.47 2.07 0.22 -1.68 0.04 -1.07 -4.07 135.00 127.04 2vlo s PRO 8 Ca 0.31 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2vlo s PRO 8 Cb -0.08 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.70 2vlo s PRO 8 CO 0.22 -1.90 0.89 0.41 0.04 0.00 0.00 177.00 176.67 2vlo n GLY 9 N 0.50 0.76 3.29 0.56 0.00 -0.70 -4.96 105.19 104.63 2vlo n GLY 9 Ca 0.14 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 2vlo n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vlo s LYS 10 N -2.06 3.10 0.20 1.61 2.20 -1.26 -0.99 119.74 122.54 2vlo s LYS 10 Ca 0.19 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 2vlo s LYS 10 Cb -0.03 -2.41 -0.09 0.00 -1.51 0.00 0.00 37.83 33.79 2vlo s LYS 10 CO 0.07 0.23 1.26 0.00 -0.36 0.00 0.00 175.35 176.55 2vlo s ALA 11 N 0.25 3.49 0.18 3.13 0.00 -0.63 -4.70 121.76 123.48 2vlo s ALA 11 Ca -0.13 1.05 0.01 0.00 0.00 0.00 0.00 51.96 52.89 2vlo s ALA 11 Cb -0.17 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2vlo s ALA 11 CO 0.07 -0.47 0.03 0.95 0.00 0.00 0.00 175.76 176.34 2vlo s THR 12 N -0.04 0.52 0.00 0.00 -4.23 -0.88 -0.08 115.64 110.92 2vlo s THR 12 Ca 0.55 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2vlo s THR 12 Cb -0.35 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2vlo s THR 12 CO 0.38 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2vlo n GLY 13 N -0.26 2.71 0.11 3.99 0.00 -1.26 -0.23 105.19 110.24 2vlo n GLY 13 Ca -0.05 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 2vlo n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vlo n LYS 14 N -0.14 0.68 0.00 1.61 4.01 -1.26 -4.77 118.16 118.28 2vlo n LYS 14 Ca 0.00 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2vlo n LYS 14 Cb 0.00 -1.59 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 2vlo n LYS 14 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2vlo n GLY 15 N 1.91 -1.01 3.12 0.72 0.00 -1.26 -4.34 105.19 104.33 2vlo n GLY 15 Ca -0.35 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 2vlo n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlo s LYS 16 N 0.00 0.40 0.18 1.61 -0.14 -0.51 -4.67 119.74 116.62 2vlo s LYS 16 Ca 0.00 -0.07 -0.32 0.00 -1.36 0.00 0.00 55.97 54.22 2vlo s LYS 16 Cb 0.00 0.18 -0.11 0.00 -1.68 0.00 0.00 37.83 36.22 2vlo s LYS 16 CO 0.00 -0.09 1.64 -1.25 -0.76 0.00 0.00 175.35 174.90 2vlo s PRO 17 N -0.73 4.17 0.14 -1.68 0.04 -1.26 -1.11 135.00 134.58 2vlo s PRO 17 Ca -0.08 2.48 0.04 0.00 0.04 0.00 0.00 61.00 63.48 2vlo s PRO 17 Cb -0.05 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2vlo s PRO 17 CO 0.01 -0.68 -0.10 0.14 0.04 0.00 0.00 177.00 176.42 2vlo s VAL 18 N 1.20 1.12 0.00 -0.36 -7.23 -1.26 -4.93 120.40 108.94 2vlo s VAL 18 Ca 0.72 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2vlo s VAL 18 Cb -0.46 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2vlo s VAL 18 CO 0.32 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 2vlo n GLY 19 N -0.15 4.42 0.41 2.32 0.00 -1.26 -5.00 105.19 105.94 2vlo n GLY 19 Ca -0.11 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 2vlo n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vlo h ASP 20 N 0.00 -1.54 -0.95 1.61 3.32 -1.99 -2.45 116.42 114.42 2vlo h ASP 20 Ca 0.00 0.18 -0.56 0.00 0.02 0.00 0.00 57.03 56.67 2vlo h ASP 20 Cb 0.00 0.60 -0.29 0.00 0.22 0.00 0.00 39.33 39.86 2vlo h ASP 20 CO 0.00 -0.42 0.65 0.29 -1.72 0.00 0.00 179.24 178.04 2vlo n LYS 21 N -5.08 2.43 -0.32 3.56 4.76 -1.26 -4.63 118.16 117.62 2vlo n LYS 21 Ca -0.05 -3.17 0.18 0.00 -2.87 0.00 0.00 58.31 52.40 2vlo n LYS 21 Cb 0.33 -2.20 0.36 0.00 -1.84 0.00 0.00 35.03 31.68 2vlo n LYS 21 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2vlo h TRP 22 N 1.42 0.34 0.00 2.13 7.01 -1.82 0.49 115.95 125.52 2vlo h TRP 22 Ca 0.59 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.64 2vlo h TRP 22 Cb 1.96 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 29.02 2vlo h TRP 22 CO 1.48 -0.34 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.67 2vlo h LEU 23 N 0.10 0.00 -1.43 0.65 3.38 -1.87 -2.52 115.31 113.62 2vlo h LEU 23 Ca 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.58 2vlo h LEU 23 Cb 1.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 2vlo h LEU 23 CO -0.77 0.05 0.08 0.44 0.09 0.00 0.00 178.44 178.33 2vlo h ASP 24 N 0.00 0.42 0.35 -0.43 3.32 -0.40 -2.02 116.42 117.66 2vlo h ASP 24 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2vlo h ASP 24 Cb 0.45 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2vlo h ASP 24 CO 0.01 0.43 0.00 0.47 -1.72 0.00 0.00 179.24 178.42 2vlo n ASP 25 N -4.36 0.21 0.26 6.45 8.00 -0.95 -2.85 116.55 123.31 2vlo n ASP 25 Ca 0.02 0.57 0.15 0.00 0.71 0.00 0.00 54.79 56.24 2vlo n ASP 25 Cb 0.17 -0.61 0.61 0.00 -0.02 0.00 0.00 41.12 41.28 2vlo n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vlo h ALA 26 N 2.25 1.01 -0.06 2.24 0.00 -1.45 -2.47 119.26 120.78 2vlo h ALA 26 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2vlo h ALA 26 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2vlo h ALA 26 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2vlo n GLY 27 N 0.07 -0.08 3.36 0.00 0.00 -1.13 -1.94 105.19 105.48 2vlo n GLY 27 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2vlo n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlo s LYS 28 N -1.93 1.39 5.91 1.61 1.02 -0.93 -4.72 119.74 122.08 2vlo s LYS 28 Ca 0.37 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.68 2vlo s LYS 28 Cb 0.20 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2vlo s LYS 28 CO 0.31 0.04 0.00 -0.25 -0.92 0.00 0.00 175.35 174.53 2vlo n ASP 29 N -0.45 0.00 -1.72 2.83 8.00 -1.26 -1.18 116.55 122.77 2vlo n ASP 29 Ca -0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.52 2vlo n ASP 29 Cb 0.62 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 42.10 2vlo n ASP 29 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2vlo n SER 30 N 4.13 5.14 0.00 -2.24 7.64 -1.26 -5.03 113.62 122.00 2vlo n SER 30 Ca 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2vlo n SER 30 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2vlo n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vlo n GLY 31 N 1.00 -2.21 3.89 0.23 0.00 -0.33 -4.71 105.19 103.06 2vlo n GLY 31 Ca 0.27 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2vlo n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vlo s ALA 32 N -1.37 3.57 0.87 4.61 0.00 0.88 -4.77 121.76 125.56 2vlo s ALA 32 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 2vlo s ALA 32 Cb 0.00 -2.39 0.12 0.00 0.00 0.00 0.00 23.12 20.85 2vlo s ALA 32 CO 0.00 0.32 1.21 -1.25 0.00 0.00 0.00 175.76 176.04 2vlo s PRO 33 N -3.29 1.42 -0.02 0.00 0.04 -1.26 0.69 135.00 132.58 2vlo s PRO 33 Ca 0.46 0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 2vlo s PRO 33 Cb -0.11 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2vlo s PRO 33 CO 0.27 -1.95 1.28 0.42 0.04 0.00 0.00 177.00 177.05 2vlo s ILE 34 N -3.59 4.01 0.41 0.56 -1.09 -1.25 -4.68 121.20 115.57 2vlo s ILE 34 Ca 0.65 1.37 -0.26 0.00 -2.23 0.00 0.00 60.65 60.19 2vlo s ILE 34 Cb -0.10 -3.88 -0.10 0.00 -1.58 0.00 0.00 42.46 36.80 2vlo s ILE 34 CO 0.51 0.01 1.28 -2.65 -1.23 0.00 0.00 174.94 172.86 2vlo n PRO 35 N 5.07 1.97 -0.22 2.79 -0.02 -1.26 -1.43 135.00 141.90 2vlo n PRO 35 Ca 0.11 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 2vlo n PRO 35 Cb 0.45 -2.39 0.36 0.00 -0.02 0.00 0.00 33.50 31.90 2vlo n PRO 35 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2vlo h ASP 36 N 2.14 0.66 0.62 2.55 3.04 -1.31 -0.69 116.42 123.44 2vlo h ASP 36 Ca -0.48 0.02 -0.08 0.00 -3.24 0.00 0.00 57.03 53.25 2vlo h ASP 36 Cb 1.29 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 2vlo h ASP 36 CO 0.60 0.40 -0.39 0.03 -2.04 0.00 0.00 179.24 177.84 2vlo h ARG 37 N 0.74 0.00 0.07 4.15 3.08 -1.86 0.81 114.38 121.37 2vlo h ARG 37 Ca 0.36 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.26 2vlo h ARG 37 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.50 2vlo h ARG 37 CO -0.14 0.39 -0.66 0.82 -1.07 0.00 0.00 179.97 179.31 2vlo h ILE 38 N 0.00 1.49 -0.87 2.04 1.08 -1.53 -2.41 117.51 117.31 2vlo h ILE 38 Ca -0.00 -2.29 0.06 0.00 -0.39 0.00 0.00 64.86 62.23 2vlo h ILE 38 Cb 0.80 2.92 -0.06 0.00 -3.07 0.00 0.00 36.82 37.41 2vlo h ILE 38 CO 0.05 0.65 0.54 0.00 -0.69 0.00 0.00 178.15 178.71 2vlo h ALA 39 N 0.19 1.20 -0.77 1.87 0.00 -1.10 -0.90 119.26 119.76 2vlo h ALA 39 Ca -0.10 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2vlo h ALA 39 Cb 1.44 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2vlo h ALA 39 CO 0.13 0.29 0.50 -0.44 0.00 0.00 0.00 179.25 179.73 2vlo h ASP 40 N 0.99 0.68 0.86 0.00 3.32 -0.68 0.18 116.42 121.78 2vlo h ASP 40 Ca 0.38 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.23 2vlo h ASP 40 Cb 0.18 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2vlo h ASP 40 CO -0.17 0.43 -0.97 0.11 -1.72 0.00 0.00 179.24 176.92 2vlo h LYS 41 N 0.77 0.05 0.00 3.56 1.79 -0.74 -3.33 116.57 118.68 2vlo h LYS 41 Ca 0.34 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2vlo h LYS 41 Cb 0.32 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2vlo h LYS 41 CO -0.12 0.97 -1.45 1.28 -1.08 0.00 0.00 179.45 179.06 2vlo n LEU 42 N -3.46 0.47 -4.71 2.94 4.77 -0.46 -4.91 117.00 111.64 2vlo n LEU 42 Ca -0.02 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 2vlo n LEU 42 Cb 0.89 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.94 2vlo n LEU 42 CO 0.47 0.07 1.16 -1.14 -1.33 0.00 0.00 177.39 176.63 2vlo n ARG 43 N -1.99 2.41 -0.90 3.23 0.63 0.58 -1.43 116.66 119.19 2vlo n ARG 43 Ca -0.00 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2vlo n ARG 43 Cb 0.47 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.78 2vlo n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2vlo n ASP 44 N 2.41 -0.94 -4.84 6.15 8.00 0.88 -4.98 116.55 123.24 2vlo n ASP 44 Ca 0.11 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 2vlo n ASP 44 Cb 0.34 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 2vlo n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2vlo s LYS 45 N -0.33 4.04 -0.06 -1.24 -0.14 -0.51 -4.84 119.74 116.65 2vlo s LYS 45 Ca 0.00 0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 55.08 2vlo s LYS 45 Cb 0.00 -2.76 -0.05 0.00 -1.68 0.00 0.00 37.83 33.34 2vlo s LYS 45 CO 0.00 0.36 0.36 -2.00 -0.76 0.00 0.00 175.35 173.31 2vlo s GLU 46 N -2.32 3.99 0.16 1.68 2.12 -1.26 -1.60 118.70 121.46 2vlo s GLU 46 Ca 0.44 0.29 0.11 0.00 0.36 0.00 0.00 54.97 56.18 2vlo s GLU 46 Cb -0.14 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2vlo s GLU 46 CO 0.20 0.54 -0.25 -0.06 -0.54 0.00 0.00 175.26 175.14 2vlo s PHE 47 N -0.53 2.30 -0.44 5.30 0.40 -0.17 -4.99 117.98 119.85 2vlo s PHE 47 Ca 0.22 -0.37 0.23 0.00 -0.60 0.00 0.00 56.93 56.41 2vlo s PHE 47 Cb -0.15 -1.19 0.34 0.00 0.51 0.00 0.00 43.02 42.53 2vlo s PHE 47 CO 0.10 0.42 1.57 1.57 0.70 0.00 0.00 175.22 179.58 2vlo h LYS 48 N 3.52 0.00 -2.38 0.44 2.10 -1.88 -1.86 116.57 116.51 2vlo h LYS 48 Ca -0.48 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.34 2vlo h LYS 48 Cb 1.19 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.45 2vlo h LYS 48 CO 0.44 0.00 0.51 -1.54 -2.00 0.00 0.00 179.45 176.86 2vlo s SER 49 N -6.02 -0.13 0.32 7.07 1.04 -1.26 -2.59 113.70 112.13 2vlo s SER 49 Ca 0.07 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.09 2vlo s SER 49 Cb 0.06 0.50 0.54 0.00 0.10 0.00 0.00 66.02 67.22 2vlo s SER 49 CO 0.68 -0.94 1.75 0.15 0.98 0.00 0.00 173.24 175.86 2vlo h PHE 50 N 2.00 0.20 -0.19 5.02 3.57 -0.90 -2.31 116.94 124.33 2vlo h PHE 50 Ca -0.25 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.09 2vlo h PHE 50 Cb 1.23 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2vlo h PHE 50 CO 0.63 0.54 -0.35 0.22 -2.23 0.00 0.00 178.31 177.11 2vlo h ASP 51 N 0.15 0.41 -0.52 0.41 -0.00 -1.96 0.24 116.42 115.15 2vlo h ASP 51 Ca 0.02 -0.16 -0.08 0.00 -0.00 0.00 0.00 57.03 56.80 2vlo h ASP 51 Cb 0.75 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.94 2vlo h ASP 51 CO 0.06 0.74 0.03 -0.78 -0.00 0.00 0.00 179.24 179.29 2vlo h ASP 52 N 0.34 0.91 -0.21 2.28 3.58 -1.87 -1.72 116.42 119.73 2vlo h ASP 52 Ca 0.04 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 2vlo h ASP 52 Cb 0.78 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2vlo h ASP 52 CO 0.06 0.95 0.02 0.15 -2.88 0.00 0.00 179.24 177.54 2vlo h PHE 53 N 0.88 0.38 -0.40 0.28 3.57 -0.82 -2.67 116.94 118.16 2vlo h PHE 53 Ca 0.17 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2vlo h PHE 53 Cb 0.47 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 2vlo h PHE 53 CO 0.03 0.52 0.01 -0.09 -2.23 0.00 0.00 178.31 176.55 2vlo h ARG 54 N 0.13 0.11 -0.71 1.11 2.43 -0.41 0.44 114.38 117.48 2vlo h ARG 54 Ca 0.06 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 2vlo h ARG 54 Cb 0.35 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2vlo h ARG 54 CO 0.01 0.08 0.40 0.87 -1.51 0.00 0.00 179.97 179.81 2vlo h LYS 55 N 0.12 0.70 -0.74 0.20 1.57 -1.27 -2.52 116.57 114.62 2vlo h LYS 55 Ca 0.20 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2vlo h LYS 55 Cb 0.27 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2vlo h LYS 55 CO -0.32 0.46 0.32 0.00 -0.57 0.00 0.00 179.45 179.34 2vlo h ALA 56 N 1.38 0.96 -0.10 3.86 0.00 -0.99 -1.77 119.26 122.60 2vlo h ALA 56 Ca 0.33 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2vlo h ALA 56 Cb 0.23 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2vlo h ALA 56 CO -0.20 0.56 -0.22 0.28 0.00 0.00 0.00 179.25 179.67 2vlo h VAL 57 N 1.06 0.46 -0.07 0.00 2.07 -0.53 0.64 116.25 119.88 2vlo h VAL 57 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 2vlo h VAL 57 Cb 0.18 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2vlo h VAL 57 CO -0.02 0.00 -0.26 -0.50 0.02 0.00 0.00 177.57 176.81 2vlo h TRP 58 N -0.30 0.12 -0.27 1.57 -0.00 -1.19 0.70 115.95 116.58 2vlo h TRP 58 Ca 0.09 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 58.84 2vlo h TRP 58 Cb 0.43 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.56 2vlo h TRP 58 CO -0.31 0.37 -0.32 0.93 -0.00 0.00 0.00 178.44 179.10 2vlo h GLU 59 N 0.10 0.70 -0.41 0.49 5.08 -0.97 -0.07 114.58 119.50 2vlo h GLU 59 Ca 0.02 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.89 2vlo h GLU 59 Cb 0.52 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2vlo h GLU 59 CO 0.04 1.01 -0.14 0.93 -1.00 0.00 0.00 179.01 179.85 2vlo h GLU 60 N 0.43 0.75 -0.52 2.33 4.39 -0.31 -1.97 114.58 119.69 2vlo h GLU 60 Ca 0.04 -0.26 0.07 0.00 0.34 0.00 0.00 59.36 59.55 2vlo h GLU 60 Cb 0.90 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2vlo h GLU 60 CO 0.08 0.85 0.19 0.28 -1.16 0.00 0.00 179.01 179.25 2vlo h VAL 61 N 0.68 0.82 0.00 3.13 2.07 -0.63 -2.19 116.25 120.14 2vlo h VAL 61 Ca 0.11 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2vlo h VAL 61 Cb 0.61 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2vlo h VAL 61 CO 0.04 0.07 -0.02 0.77 0.02 0.00 0.00 177.57 178.45 2vlo h SER 62 N 0.37 0.00 0.17 0.57 4.64 -0.26 -2.33 113.55 116.71 2vlo h SER 62 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2vlo h SER 62 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2vlo h SER 62 CO -0.25 0.02 -0.06 0.29 -0.87 0.00 0.00 176.83 175.96 2vlo n LYS 63 N -4.48 1.02 -3.65 4.77 5.02 -0.85 -4.79 118.16 115.20 2vlo n LYS 63 Ca -0.03 -0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 55.48 2vlo n LYS 63 Cb 0.11 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 2vlo n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2vlo s ASP 64 N -2.25 5.56 0.38 4.39 2.15 -0.88 -5.00 116.67 121.03 2vlo s ASP 64 Ca 0.35 -1.21 0.06 0.00 0.43 0.00 0.00 52.55 52.19 2vlo s ASP 64 Cb 0.21 -1.96 0.74 0.00 -0.30 0.00 0.00 42.92 41.61 2vlo s ASP 64 CO 0.42 -0.41 1.96 -0.65 -0.17 0.00 0.00 175.17 176.31 2vlo h PRO 65 N 8.35 0.47 -0.11 4.34 0.11 -1.86 -1.41 132.00 141.89 2vlo h PRO 65 Ca -0.24 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 2vlo h PRO 65 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2vlo h PRO 65 CO 0.67 0.44 -0.24 0.93 -0.21 0.00 0.00 178.00 179.59 2vlo h GLU 66 N 0.47 0.35 0.00 1.05 4.39 -1.94 -2.42 114.58 116.48 2vlo h GLU 66 Ca 0.11 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 2vlo h GLU 66 Cb 0.18 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2vlo h GLU 66 CO -0.00 0.84 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.20 2vlo h LEU 67 N -0.08 0.00 0.00 1.33 3.38 -1.77 -3.14 115.31 115.03 2vlo h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vlo h LEU 67 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2vlo h LEU 67 CO 0.05 0.41 -0.93 -1.54 0.09 0.00 0.00 178.44 176.52 2vlo n SER 68 N -3.82 0.90 0.27 -0.43 3.41 -0.57 -4.52 113.62 108.87 2vlo n SER 68 Ca -0.01 -0.86 0.11 0.00 -0.26 0.00 0.00 58.87 57.85 2vlo n SER 68 Cb 0.47 0.88 0.74 0.00 -0.26 0.00 0.00 64.21 66.04 2vlo n SER 68 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2vlo h LYS 69 N 0.00 0.00 -0.02 4.33 2.10 -1.38 -1.69 116.57 119.91 2vlo h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vlo h LYS 69 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2vlo h LYS 69 CO 0.00 0.04 0.00 -1.71 -2.00 0.00 0.00 179.45 175.78 2vlo n ASN 70 N -4.16 0.45 -4.79 7.07 4.05 -1.26 -4.83 115.26 111.79 2vlo n ASN 70 Ca -0.03 -1.30 -0.39 0.00 0.45 0.00 0.00 54.58 53.31 2vlo n ASN 70 Cb 0.12 -0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.06 2vlo n ASN 70 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2vlo s LEU 71 N -1.81 4.53 0.89 1.20 1.02 -0.64 -5.07 118.68 118.80 2vlo s LEU 71 Ca 0.38 1.37 -0.12 0.00 0.02 0.00 0.00 54.13 55.78 2vlo s LEU 71 Cb 0.18 -3.02 0.13 0.00 0.02 0.00 0.00 46.19 43.49 2vlo s LEU 71 CO 0.30 0.23 1.13 0.54 0.02 0.00 0.00 176.35 178.57 2vlo s ASN 72 N -0.97 3.69 0.32 2.29 4.22 -1.26 -4.68 114.94 118.55 2vlo s ASN 72 Ca 0.31 1.01 0.06 0.00 -2.14 0.00 0.00 52.86 52.11 2vlo s ASN 72 Cb -0.20 -1.61 0.73 0.00 1.28 0.00 0.00 41.25 41.45 2vlo s ASN 72 CO 0.21 -2.44 1.84 -0.65 -2.04 0.00 0.00 177.10 174.02 2vlo h PRO 73 N -1.42 0.77 -0.31 3.55 0.11 -1.97 -0.07 132.00 132.64 2vlo h PRO 73 Ca -0.50 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 2vlo h PRO 73 Cb 1.32 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2vlo h PRO 73 CO 0.62 0.51 -0.13 0.77 -0.21 0.00 0.00 178.00 179.55 2vlo h SER 74 N 0.79 0.66 -0.26 -2.05 0.02 -2.00 -1.29 113.55 109.42 2vlo h SER 74 Ca 0.49 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2vlo h SER 74 Cb 0.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2vlo h SER 74 CO -0.26 0.91 -0.00 0.78 -1.14 0.00 0.00 176.83 177.12 2vlo h ASN 75 N 0.41 0.55 -0.77 3.07 2.35 -1.79 -2.27 115.58 117.13 2vlo h ASN 75 Ca 0.07 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2vlo h ASN 75 Cb 0.65 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2vlo h ASN 75 CO 0.04 0.63 0.28 0.11 -1.65 0.00 0.00 177.43 176.84 2vlo h LYS 76 N 0.56 1.17 -0.54 0.81 1.57 -0.78 -1.87 116.57 117.49 2vlo h LYS 76 Ca 0.12 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2vlo h LYS 76 Cb 0.36 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2vlo h LYS 76 CO 0.01 0.97 0.35 0.77 -0.57 0.00 0.00 179.45 180.98 2vlo h SER 77 N 1.13 0.59 0.47 0.86 0.02 -0.93 -1.88 113.55 113.80 2vlo h SER 77 Ca 0.25 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2vlo h SER 77 Cb 0.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2vlo h SER 77 CO -0.02 0.42 -0.39 -1.28 -1.14 0.00 0.00 176.83 174.42 2vlo h SER 78 N 0.70 -1.04 -0.10 3.07 0.87 -1.13 -3.04 113.55 112.88 2vlo h SER 78 Ca 0.21 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2vlo h SER 78 Cb -0.04 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2vlo h SER 78 CO -0.06 -0.56 0.07 -0.37 -0.53 0.00 0.00 176.83 175.37 2vlo h VAL 79 N -0.85 1.02 0.00 2.23 -1.51 -1.32 -1.73 116.25 114.08 2vlo h VAL 79 Ca -0.05 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2vlo h VAL 79 Cb 0.74 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2vlo h VAL 79 CO -0.02 0.02 -0.08 0.77 -1.23 0.00 0.00 177.57 177.04 2vlo h SER 80 N 0.13 0.00 -0.06 4.19 4.64 -1.23 0.31 113.55 121.53 2vlo h SER 80 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2vlo h SER 80 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vlo h SER 80 CO -0.01 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2vlo n LYS 81 N -3.89 1.59 -0.93 4.77 5.02 -0.71 -4.90 118.16 119.10 2vlo n LYS 81 Ca -0.02 -0.86 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 2vlo n LYS 81 Cb 0.17 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2vlo n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vlo n GLY 82 N 1.13 0.46 3.89 0.72 0.00 0.10 -5.02 105.19 106.46 2vlo n GLY 82 Ca 0.18 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 2vlo n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vlo s TYR 83 N -2.00 3.45 0.32 1.61 2.02 -0.83 -4.39 117.35 117.52 2vlo s TYR 83 Ca 0.00 0.77 -0.28 0.00 -0.37 0.00 0.00 57.07 57.19 2vlo s TYR 83 Cb 0.00 -2.19 -0.09 0.00 -0.40 0.00 0.00 41.96 39.28 2vlo s TYR 83 CO 0.00 0.26 1.13 -1.12 -1.57 0.00 0.00 175.55 174.25 2vlo s SER 84 N -2.60 7.02 0.44 2.29 0.01 -1.26 -3.48 113.70 116.13 2vlo s SER 84 Ca 0.46 2.30 -0.23 0.00 1.31 0.00 0.00 55.95 59.79 2vlo s SER 84 Cb -0.11 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 2vlo s SER 84 CO 0.24 -0.32 1.11 -2.16 0.41 0.00 0.00 173.24 172.52 2vlo s PRO 85 N -1.76 3.93 0.27 12.44 0.04 -1.26 -4.75 135.00 143.91 2vlo s PRO 85 Ca 0.49 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2vlo s PRO 85 Cb -0.31 -2.44 -0.10 0.00 0.04 0.00 0.00 34.50 31.69 2vlo s PRO 85 CO 0.40 -0.37 1.34 -0.06 0.04 0.00 0.00 177.00 178.35 2vlo s PHE 86 N -1.62 3.11 0.70 0.56 0.40 -1.26 -1.81 117.98 118.06 2vlo s PHE 86 Ca 0.61 1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 58.14 2vlo s PHE 86 Cb -0.25 -3.69 0.06 0.00 0.51 0.00 0.00 43.02 39.65 2vlo s PHE 86 CO 0.31 -2.06 1.01 0.95 0.70 0.00 0.00 175.22 176.12 2vlo s THR 87 N -0.50 2.29 0.49 0.64 -4.23 -0.53 -4.84 115.64 108.96 2vlo s THR 87 Ca 0.54 -0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 2vlo s THR 87 Cb -0.39 -3.00 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 2vlo s THR 87 CO 0.46 -0.01 1.12 -2.65 -0.54 0.00 0.00 174.62 173.00 2vlo n PRO 88 N -2.91 1.44 -0.34 3.99 -0.02 -1.26 -4.84 135.00 131.06 2vlo n PRO 88 Ca 0.08 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 2vlo n PRO 88 Cb 0.60 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.22 2vlo n PRO 88 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2vlo h LYS 89 N 1.39 0.63 0.00 -0.52 3.64 -1.96 -0.01 116.57 119.74 2vlo h LYS 89 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2vlo h LYS 89 Cb 1.33 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2vlo h LYS 89 CO 0.56 0.42 0.00 0.27 -2.27 0.00 0.00 179.45 178.43 2vlo n ASN 90 N -4.74 0.00 -0.39 4.20 0.23 -1.26 -2.12 115.26 111.17 2vlo n ASN 90 Ca 0.24 -0.86 0.07 0.00 -0.53 0.00 0.00 54.58 53.49 2vlo n ASN 90 Cb 0.66 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.38 2vlo n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vlo n GLN 91 N -0.99 1.50 -1.89 -3.83 1.13 -0.03 -4.97 117.38 108.30 2vlo n GLN 91 Ca 0.20 -0.94 -0.31 0.00 -1.94 0.00 0.00 57.00 54.01 2vlo n GLN 91 Cb 0.09 -1.21 0.02 0.00 0.11 0.00 0.00 30.24 29.26 2vlo n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2vlo s GLN 92 N -1.43 3.31 -0.23 -1.09 -0.21 -0.90 -1.67 119.66 117.44 2vlo s GLN 92 Ca 0.13 0.63 -0.03 0.00 0.02 0.00 0.00 55.36 56.10 2vlo s GLN 92 Cb 0.11 -2.06 0.07 0.00 1.00 0.00 0.00 33.01 32.13 2vlo s GLN 92 CO 0.26 -0.75 0.07 0.08 -2.12 0.00 0.00 175.29 172.84 2vlo s VAL 93 N -3.24 0.36 0.00 1.09 1.01 -0.42 -4.68 120.40 114.51 2vlo s VAL 93 Ca 0.56 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2vlo s VAL 93 Cb -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2vlo s VAL 93 CO 0.53 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2vlo n GLY 94 N 5.10 3.58 0.00 4.51 0.00 -1.26 -0.52 105.19 116.59 2vlo n GLY 94 Ca -0.07 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2vlo n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vlo n GLY 95 N 0.00 -0.88 3.43 -0.02 0.00 -1.26 -4.66 105.19 101.79 2vlo n GLY 95 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2vlo n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vlo s ARG 96 N -2.00 3.05 0.00 1.61 0.52 0.32 -4.85 118.95 117.60 2vlo s ARG 96 Ca 0.32 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2vlo s ARG 96 Cb 0.15 -4.09 -0.00 0.00 0.52 0.00 0.00 34.95 31.53 2vlo s ARG 96 CO 0.25 -1.07 0.21 0.00 0.02 0.00 0.00 175.30 174.71 2vlo n ALA 97 N 5.62 2.22 -2.46 2.13 0.00 -1.26 -1.30 120.51 125.47 2vlo n ALA 97 Ca -0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2vlo n ALA 97 Cb 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 2vlo n ALA 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2vlo s VAL 98 N -0.62 2.33 0.39 0.00 -7.23 -1.26 -1.45 120.40 112.55 2vlo s VAL 98 Ca 0.00 -2.36 -0.28 0.00 -1.81 0.00 0.00 61.98 57.54 2vlo s VAL 98 Cb 0.00 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 2vlo s VAL 98 CO 0.01 -0.41 1.48 -0.31 -0.31 0.00 0.00 175.10 175.55 2vlo s TYR 99 N -2.60 2.56 0.13 2.82 1.51 -0.75 -4.37 117.35 116.64 2vlo s TYR 99 Ca 0.29 1.18 0.07 0.00 -1.01 0.00 0.00 57.07 57.60 2vlo s TYR 99 Cb -0.04 -4.01 -0.04 0.00 -0.11 0.00 0.00 41.96 37.76 2vlo s TYR 99 CO 0.14 -3.00 -0.06 -1.21 -1.11 0.00 0.00 175.55 170.31 2vlo s GLU 100 N -2.16 2.24 -0.21 -0.62 2.02 0.77 -4.79 118.70 115.96 2vlo s GLU 100 Ca 0.54 -1.04 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 2vlo s GLU 100 Cb -0.46 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 2vlo s GLU 100 CO 0.62 0.49 0.04 -0.51 0.02 0.00 0.00 175.26 175.93 2vlo s LEU 101 N -2.45 3.51 0.26 1.80 1.43 -1.26 -1.00 118.68 120.96 2vlo s LEU 101 Ca 0.24 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2vlo s LEU 101 Cb -0.11 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2vlo s LEU 101 CO 0.16 0.08 0.08 -1.00 0.23 0.00 0.00 176.35 175.90 2vlo s HIS 102 N 0.94 1.56 -0.10 0.29 3.76 -0.59 -4.97 115.29 116.18 2vlo s HIS 102 Ca 0.03 -1.14 -0.04 0.00 -0.15 0.00 0.00 55.06 53.76 2vlo s HIS 102 Cb -0.14 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.59 2vlo s HIS 102 CO 0.02 -0.28 0.07 -1.01 -0.85 0.00 0.00 174.74 172.69 2vlo s HIS 103 N -3.69 3.37 -0.02 1.40 3.76 -1.26 -0.46 115.29 118.39 2vlo s HIS 103 Ca 0.36 0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 55.57 2vlo s HIS 103 Cb 0.08 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2vlo s HIS 103 CO 0.13 0.60 0.41 0.22 -0.85 0.00 0.00 174.74 175.25 2vlo h ASP 104 N 5.04 -0.16 -3.36 1.40 1.82 -1.28 -3.41 116.42 116.46 2vlo h ASP 104 Ca -0.53 0.01 -0.59 0.00 -0.39 0.00 0.00 57.03 55.53 2vlo h ASP 104 Cb 1.21 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 41.18 2vlo h ASP 104 CO 0.56 0.02 0.23 -0.75 -1.61 0.00 0.00 179.24 177.70 2vlo s LYS 105 N -2.23 4.26 0.71 0.28 2.20 -1.26 -5.04 119.74 118.65 2vlo s LYS 105 Ca -0.03 0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 56.22 2vlo s LYS 105 Cb 0.00 -3.57 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2vlo s LYS 105 CO 0.08 -0.26 1.24 -1.25 -0.36 0.00 0.00 175.35 174.81 2vlo s PRO 106 N 1.95 2.23 0.41 4.03 0.04 -1.26 -3.92 135.00 138.48 2vlo s PRO 106 Ca 0.33 1.89 0.09 0.00 0.04 0.00 0.00 61.00 63.36 2vlo s PRO 106 Cb -0.16 -1.83 0.89 0.00 0.04 0.00 0.00 34.50 33.44 2vlo s PRO 106 CO 0.12 -1.80 2.02 0.82 0.04 0.00 0.00 177.00 178.20 2vlo h ILE 107 N -0.02 1.03 0.00 0.56 5.03 -1.94 -0.77 117.51 121.40 2vlo h ILE 107 Ca -0.49 -0.18 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 2vlo h ILE 107 Cb 1.31 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 35.55 2vlo h ILE 107 CO 0.51 0.10 0.00 0.77 -0.68 0.00 0.00 178.15 178.84 2vlo h SER 108 N 0.54 0.00 -0.53 1.72 4.64 -1.90 -2.52 113.55 115.50 2vlo h SER 108 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2vlo h SER 108 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2vlo h SER 108 CO -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 2vlo n GLN 109 N -2.80 2.59 0.00 4.77 1.13 -0.81 -4.94 117.38 117.32 2vlo n GLN 109 Ca 0.01 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.67 2vlo n GLN 109 Cb 0.26 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2vlo n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vlo n GLY 110 N 1.43 0.76 3.72 1.08 0.00 -0.95 -4.96 105.19 106.28 2vlo n GLY 110 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2vlo n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vlo s GLY 111 N -1.48 1.69 0.23 -0.02 0.00 -0.36 -4.98 107.32 102.40 2vlo s GLY 111 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 44.72 45.93 2vlo s GLY 111 CO 0.00 2.60 0.73 -0.54 0.00 0.00 0.00 173.10 175.88 2vlo s GLU 112 N 0.78 4.23 0.16 2.90 2.02 -1.26 -4.03 118.70 123.50 2vlo s GLU 112 Ca 0.68 0.85 -0.12 0.00 0.02 0.00 0.00 54.97 56.41 2vlo s GLU 112 Cb -0.44 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2vlo s GLU 112 CO 0.34 0.37 1.62 0.28 0.02 0.00 0.00 175.26 177.90 2vlo h VAL 113 N 2.67 1.26 -0.21 2.63 2.07 -1.95 -3.27 116.25 119.44 2vlo h VAL 113 Ca -0.48 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2vlo h VAL 113 Cb 1.19 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2vlo h VAL 113 CO 0.65 0.38 0.00 -1.22 0.02 0.00 0.00 177.57 177.40 2vlo n TYR 114 N -4.31 0.55 -2.59 1.57 4.02 -1.26 -4.92 117.16 110.22 2vlo n TYR 114 Ca 0.02 -0.76 -0.42 0.00 -0.01 0.00 0.00 57.90 56.73 2vlo n TYR 114 Cb 0.31 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 2vlo n TYR 114 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2vlo s ASP 115 N -1.74 6.45 0.64 7.72 2.15 -1.24 -2.07 116.67 128.58 2vlo s ASP 115 Ca 0.31 0.10 0.42 0.00 0.43 0.00 0.00 52.55 53.81 2vlo s ASP 115 Cb 0.23 -2.55 2.20 0.00 -0.30 0.00 0.00 42.92 42.51 2vlo s ASP 115 CO 0.09 -1.47 2.29 0.24 -0.17 0.00 0.00 175.17 176.15 2vlo h MET 116 N 9.53 0.00 -0.00 4.34 2.86 -0.95 0.12 114.93 130.83 2vlo h MET 116 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2vlo h MET 116 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2vlo h MET 116 CO 1.18 0.00 -0.03 -0.25 1.06 0.00 0.00 176.91 178.87 2vlo n ASP 117 N -3.11 0.08 -1.05 1.22 8.00 -1.26 -3.18 116.55 117.25 2vlo n ASP 117 Ca -0.02 -0.10 0.08 0.00 0.71 0.00 0.00 54.79 55.45 2vlo n ASP 117 Cb 0.12 -0.27 0.25 0.00 -0.02 0.00 0.00 41.12 41.20 2vlo n ASP 117 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vlo n ASN 118 N -1.28 3.74 -4.29 -2.24 5.15 0.41 -4.96 115.26 111.79 2vlo n ASN 118 Ca 0.13 -2.28 -0.32 0.00 -0.60 0.00 0.00 54.58 51.51 2vlo n ASN 118 Cb 0.27 -0.42 -0.16 0.00 -0.53 0.00 0.00 39.78 38.94 2vlo n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2vlo s ILE 119 N -1.51 2.16 0.08 -1.44 1.01 -1.19 -0.71 121.20 119.60 2vlo s ILE 119 Ca 0.38 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 60.06 2vlo s ILE 119 Cb 0.23 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2vlo s ILE 119 CO 0.20 0.57 -0.17 -0.13 0.00 0.00 0.00 174.94 175.41 2vlo s ARG 120 N -0.27 0.98 -0.22 2.79 0.52 0.39 -3.95 118.95 119.19 2vlo s ARG 120 Ca -0.00 -1.03 -0.13 0.00 -0.52 0.00 0.00 55.73 54.05 2vlo s ARG 120 Cb -0.13 -1.11 -0.05 0.00 0.52 0.00 0.00 34.95 34.19 2vlo s ARG 120 CO 0.03 0.26 0.26 0.08 0.02 0.00 0.00 175.30 175.94 2vlo s VAL 121 N -1.18 5.29 0.16 3.52 1.01 0.22 -1.54 120.40 127.88 2vlo s VAL 121 Ca 0.02 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2vlo s VAL 121 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2vlo s VAL 121 CO 0.03 0.31 -0.15 0.42 0.00 0.00 0.00 175.10 175.71 2vlo s THR 122 N 1.15 1.56 0.54 3.92 -4.23 -0.17 -0.08 115.64 118.32 2vlo s THR 122 Ca 0.12 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.55 2vlo s THR 122 Cb -0.14 -1.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 2vlo s THR 122 CO 0.06 -0.45 1.01 0.42 -0.54 0.00 0.00 174.62 175.11 2vlo s THR 123 N -2.40 4.29 0.30 3.99 -4.23 -0.82 -0.16 115.64 116.61 2vlo s THR 123 Ca 0.15 1.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.80 2vlo s THR 123 Cb -0.04 -3.61 0.30 0.00 1.34 0.00 0.00 72.50 70.50 2vlo s THR 123 CO 0.05 -0.63 1.79 -0.65 -0.54 0.00 0.00 174.62 174.64 2vlo h PRO 124 N 0.74 0.78 -0.58 3.99 0.11 -1.75 -1.43 132.00 133.87 2vlo h PRO 124 Ca -0.47 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2vlo h PRO 124 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2vlo h PRO 124 CO 0.60 0.52 0.15 -0.22 -0.21 0.00 0.00 178.00 178.84 2vlo h LYS 125 N 0.80 0.92 -0.27 1.05 3.64 -1.59 -0.02 116.57 121.10 2vlo h LYS 125 Ca 0.56 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 2vlo h LYS 125 Cb 0.83 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2vlo h LYS 125 CO -0.35 0.85 -0.42 -0.09 -2.27 0.00 0.00 179.45 177.17 2vlo h ARG 126 N 0.83 0.77 -0.81 1.90 9.65 -1.70 -2.41 114.38 122.61 2vlo h ARG 126 Ca 0.18 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 2vlo h ARG 126 Cb 0.33 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 2vlo h ARG 126 CO -0.00 1.08 0.52 1.25 2.80 0.00 0.00 179.97 185.63 2vlo h HIS 127 N 0.51 0.99 -0.18 2.20 2.76 -0.91 -1.54 115.15 118.98 2vlo h HIS 127 Ca 0.03 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 2vlo h HIS 127 Cb 1.01 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2vlo h HIS 127 CO 0.08 0.59 -0.27 0.97 -1.30 0.00 0.00 177.93 178.00 2vlo h ILE 128 N 1.04 1.26 -0.02 6.26 2.10 -0.93 0.18 117.51 127.40 2vlo h ILE 128 Ca 0.31 -1.23 -0.00 0.00 1.08 0.00 0.00 64.86 65.02 2vlo h ILE 128 Cb -0.04 1.42 -0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2vlo h ILE 128 CO -0.09 0.38 0.01 0.44 -1.08 0.00 0.00 178.15 177.80 2vlo h ASP 129 N 0.31 0.04 -0.17 2.19 3.45 -0.90 0.57 116.42 121.90 2vlo h ASP 129 Ca 0.05 -0.22 0.04 0.00 0.43 0.00 0.00 57.03 57.33 2vlo h ASP 129 Cb 0.64 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.36 2vlo h ASP 129 CO 0.05 0.24 -0.06 0.40 -1.57 0.00 0.00 179.24 178.30 2vlo h ILE 130 N -0.17 0.77 -0.68 0.35 2.04 -1.16 -2.55 117.51 116.11 2vlo h ILE 130 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2vlo h ILE 130 Cb 0.22 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2vlo h ILE 130 CO -0.00 0.00 0.39 -0.74 0.00 0.00 0.00 178.15 177.80 2vlo h HIS 131 N -0.04 0.72 0.00 1.37 2.76 -0.47 -2.43 115.15 117.07 2vlo h HIS 131 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2vlo h HIS 131 Cb 0.17 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2vlo h HIS 131 CO -0.22 0.35 0.00 0.00 -1.30 0.00 0.00 177.93 176.76 2vlo h ARG 132 N 0.72 0.00 -0.01 5.26 3.08 -0.67 -2.97 114.38 119.78 2vlo h ARG 132 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2vlo h ARG 132 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2vlo h ARG 132 CO -0.18 0.00 -0.05 0.41 -1.07 0.00 0.00 179.97 179.09 2vlo n GLY 133 N -0.16 -0.03 0.00 0.04 0.00 -0.92 -5.10 105.19 99.03 2vlo n GLY 133 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.67 2vlo n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60