#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlq s GLU 2 N 0.00 2.10 -0.21 0.03 2.02 -1.26 -5.10 118.70 116.29 2vlq s GLU 2 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.76 2vlq s GLU 2 Cb 0.00 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 2vlq s GLU 2 CO 0.00 0.56 1.25 0.45 0.02 0.00 0.00 175.26 177.54 2vlq s SER 3 N -0.63 6.89 0.32 -0.19 0.15 -1.26 -4.89 113.70 114.09 2vlq s SER 3 Ca 0.10 1.54 0.05 0.00 0.70 0.00 0.00 55.95 58.34 2vlq s SER 3 Cb -0.10 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.23 2vlq s SER 3 CO -0.01 -0.84 1.81 0.11 1.20 0.00 0.00 173.24 175.52 2vlq h LYS 4 N 8.42 0.43 0.00 5.44 1.57 -1.99 -2.32 116.57 128.13 2vlq h LYS 4 Ca -0.26 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2vlq h LYS 4 Cb 1.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2vlq h LYS 4 CO 0.99 0.58 0.00 0.07 -0.57 0.00 0.00 179.45 180.51 2vlq h ARG 5 N 0.40 0.00 -0.45 3.15 0.11 -1.99 -2.00 114.38 113.60 2vlq h ARG 5 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2vlq h ARG 5 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2vlq h ARG 5 CO 0.03 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.19 2vlq n ASN 6 N -2.33 3.53 -4.68 0.08 3.02 -0.87 -0.72 115.26 113.28 2vlq n ASN 6 Ca 0.01 -1.98 -0.28 0.00 -0.03 0.00 0.00 54.58 52.30 2vlq n ASN 6 Cb 0.16 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 2vlq n ASN 6 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2vlq s LYS 7 N -1.35 2.47 0.84 3.52 1.02 -0.75 -4.79 119.74 120.70 2vlq s LYS 7 Ca 0.40 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.27 2vlq s LYS 7 Cb 0.23 -2.43 0.10 0.00 -0.52 0.00 0.00 37.83 35.20 2vlq s LYS 7 CO 0.31 0.49 1.16 -2.14 -0.92 0.00 0.00 175.35 174.25 2vlq s PRO 8 N -2.71 1.52 0.27 -1.68 0.02 -1.03 -4.26 135.00 127.12 2vlq s PRO 8 Ca 0.27 1.59 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 2vlq s PRO 8 Cb -0.10 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.70 2vlq s PRO 8 CO 0.19 -2.27 0.83 0.41 -0.33 0.00 0.00 177.00 175.83 2vlq n GLY 9 N 0.13 0.87 3.27 0.52 0.00 -0.68 -4.97 105.19 104.33 2vlq n GLY 9 Ca 0.12 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 2vlq n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vlq s LYS 10 N -2.06 3.25 0.30 1.61 2.20 -1.26 -0.97 119.74 122.80 2vlq s LYS 10 Ca 0.18 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2vlq s LYS 10 Cb -0.04 -2.74 -0.10 0.00 -1.51 0.00 0.00 37.83 33.44 2vlq s LYS 10 CO 0.08 -0.06 1.42 0.00 -0.36 0.00 0.00 175.35 176.43 2vlq s ALA 11 N 1.04 3.59 0.26 3.13 0.00 0.05 -4.74 121.76 125.09 2vlq s ALA 11 Ca -0.01 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.33 2vlq s ALA 11 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2vlq s ALA 11 CO -0.03 -0.78 0.11 0.95 0.00 0.00 0.00 175.76 176.01 2vlq s THR 12 N -0.50 0.46 0.00 0.00 -4.23 -0.58 -0.46 115.64 110.32 2vlq s THR 12 Ca 0.56 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2vlq s THR 12 Cb -0.42 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2vlq s THR 12 CO 0.49 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 2vlq n GLY 13 N -0.46 1.45 0.05 3.99 0.00 -1.26 0.32 105.19 109.27 2vlq n GLY 13 Ca 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 2vlq n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vlq n LYS 14 N 0.83 2.11 0.00 1.61 5.02 -1.26 -4.79 118.16 121.68 2vlq n LYS 14 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2vlq n LYS 14 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2vlq n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vlq n GLY 15 N 2.31 -0.47 3.03 0.72 0.00 -1.26 -4.34 105.19 105.17 2vlq n GLY 15 Ca -0.16 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 2vlq n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlq s LYS 16 N 0.00 0.44 0.27 1.61 -0.14 -0.63 -4.67 119.74 116.63 2vlq s LYS 16 Ca 0.00 -0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 2vlq s LYS 16 Cb 0.00 0.16 -0.10 0.00 -1.68 0.00 0.00 37.83 36.21 2vlq s LYS 16 CO 0.00 -0.08 1.39 -2.14 -0.76 0.00 0.00 175.35 173.76 2vlq s PRO 17 N -2.49 4.30 0.23 -1.68 0.02 -1.26 -0.64 135.00 133.48 2vlq s PRO 17 Ca -0.06 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.23 2vlq s PRO 17 Cb -0.02 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 2vlq s PRO 17 CO -0.05 -0.34 0.05 0.14 -0.33 0.00 0.00 177.00 176.48 2vlq s VAL 18 N -0.37 0.66 0.55 3.83 -7.23 -1.26 -4.92 120.40 111.67 2vlq s VAL 18 Ca 0.56 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.81 2vlq s VAL 18 Cb -0.41 -2.43 0.08 0.00 0.56 0.00 0.00 36.38 34.19 2vlq s VAL 18 CO 0.46 -0.20 0.67 0.61 -0.31 0.00 0.00 175.10 176.33 2vlq n GLY 19 N -0.38 2.18 0.05 2.32 0.00 -1.26 -4.98 105.19 103.12 2vlq n GLY 19 Ca -0.03 -2.24 0.08 0.00 0.00 0.00 0.00 46.02 43.83 2vlq n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vlq n ASP 20 N -2.21 0.25 -1.87 1.61 3.85 -1.26 -1.56 116.55 115.36 2vlq n ASP 20 Ca 0.11 0.57 0.03 0.00 -0.71 0.00 0.00 54.79 54.79 2vlq n ASP 20 Cb 0.59 -0.62 0.37 0.00 -1.35 0.00 0.00 41.12 40.10 2vlq n ASP 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 2vlq n LYS 21 N -1.79 4.40 -0.34 0.11 4.81 -1.26 -4.39 118.16 119.71 2vlq n LYS 21 Ca 0.02 -3.13 0.20 0.00 -0.87 0.00 0.00 58.31 54.53 2vlq n LYS 21 Cb 0.16 -2.23 0.44 0.00 0.02 0.00 0.00 35.03 33.42 2vlq n LYS 21 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 2vlq h TRP 22 N 3.43 0.89 0.00 5.64 7.01 -1.67 -1.66 115.95 129.58 2vlq h TRP 22 Ca 0.09 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 2vlq h TRP 22 Cb 2.07 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 28.88 2vlq h TRP 22 CO 1.13 0.03 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.73 2vlq h LEU 23 N 0.48 0.00 -1.30 0.65 3.38 -1.87 -2.00 115.31 114.66 2vlq h LEU 23 Ca 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.60 2vlq h LEU 23 Cb 1.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2vlq h LEU 23 CO -0.43 0.01 0.29 0.44 0.09 0.00 0.00 178.44 178.83 2vlq h ASP 24 N 0.00 0.69 0.71 -0.43 5.19 -1.69 -2.13 116.42 118.76 2vlq h ASP 24 Ca -0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2vlq h ASP 24 Cb 0.55 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2vlq h ASP 24 CO 0.00 0.57 0.00 0.47 -3.12 0.00 0.00 179.24 177.16 2vlq n ASP 25 N -4.38 0.59 0.26 6.45 10.43 -0.75 -2.50 116.55 126.64 2vlq n ASP 25 Ca 0.05 0.64 0.17 0.00 2.57 0.00 0.00 54.79 58.23 2vlq n ASP 25 Cb 0.11 -0.77 0.74 0.00 1.84 0.00 0.00 41.12 43.04 2vlq n ASP 25 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2vlq h ALA 26 N 2.30 1.00 -0.36 2.24 0.00 -1.41 -2.47 119.26 120.55 2vlq h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vlq h ALA 26 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2vlq h ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2vlq n GLY 27 N -0.22 1.39 3.44 0.00 0.00 -1.04 -1.63 105.19 107.13 2vlq n GLY 27 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 2vlq n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vlq s LYS 28 N -1.53 1.58 4.04 1.61 1.02 -0.93 -4.76 119.74 120.78 2vlq s LYS 28 Ca 0.37 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.57 2vlq s LYS 28 Cb 0.21 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.22 2vlq s LYS 28 CO 0.30 0.10 0.00 -0.25 -0.92 0.00 0.00 175.35 174.57 2vlq n ASP 29 N -0.60 0.00 -2.00 2.83 8.00 -1.26 -0.33 116.55 123.18 2vlq n ASP 29 Ca -0.06 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 2vlq n ASP 29 Cb 0.63 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.94 2vlq n ASP 29 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2vlq n SER 30 N 2.69 3.75 -0.01 -2.24 7.64 -1.26 -5.02 113.62 119.17 2vlq n SER 30 Ca 0.00 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.32 2vlq n SER 30 Cb 0.00 -0.79 -0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2vlq n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vlq n GLY 31 N -0.96 -2.19 3.88 0.23 0.00 0.55 -4.74 105.19 101.96 2vlq n GLY 31 Ca 0.52 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 2vlq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vlq s ALA 32 N -1.01 3.48 0.82 4.61 0.00 0.20 -4.78 121.76 125.08 2vlq s ALA 32 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 2vlq s ALA 32 Cb 0.00 -2.53 0.08 0.00 0.00 0.00 0.00 23.12 20.68 2vlq s ALA 32 CO 0.00 0.26 1.12 -1.25 0.00 0.00 0.00 175.76 175.89 2vlq s PRO 33 N -3.34 1.91 0.08 0.00 0.04 -1.26 0.11 135.00 132.54 2vlq s PRO 33 Ca 0.49 0.40 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 2vlq s PRO 33 Cb -0.11 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2vlq s PRO 33 CO 0.26 -1.69 1.50 0.42 0.04 0.00 0.00 177.00 177.53 2vlq s ILE 34 N -3.31 3.21 0.39 0.56 -1.09 -1.26 -4.68 121.20 115.02 2vlq s ILE 34 Ca 0.61 0.76 -0.27 0.00 -2.23 0.00 0.00 60.65 59.53 2vlq s ILE 34 Cb -0.13 -3.49 -0.11 0.00 -1.58 0.00 0.00 42.46 37.15 2vlq s ILE 34 CO 0.52 0.03 1.31 -2.65 -1.23 0.00 0.00 174.94 172.93 2vlq n PRO 35 N 4.76 2.12 -0.18 2.79 -0.02 -1.26 -1.61 135.00 141.60 2vlq n PRO 35 Ca 0.13 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.43 2vlq n PRO 35 Cb 0.41 -2.41 0.35 0.00 -0.02 0.00 0.00 33.50 31.83 2vlq n PRO 35 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2vlq h ASP 36 N 2.39 0.67 0.33 2.55 3.04 -1.07 -0.77 116.42 123.56 2vlq h ASP 36 Ca -0.48 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.22 2vlq h ASP 36 Cb 1.28 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.42 2vlq h ASP 36 CO 0.61 0.44 -0.41 0.03 -2.04 0.00 0.00 179.24 177.87 2vlq h ARG 37 N 0.77 0.11 -0.13 4.15 3.08 -1.87 0.22 114.38 120.71 2vlq h ARG 37 Ca 0.31 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 2vlq h ARG 37 Cb 0.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2vlq h ARG 37 CO -0.10 0.51 -0.12 0.82 -1.07 0.00 0.00 179.97 180.01 2vlq h ILE 38 N 0.10 1.35 -0.82 2.04 1.08 -1.56 -2.62 117.51 117.08 2vlq h ILE 38 Ca 0.01 -1.26 0.11 0.00 -0.39 0.00 0.00 64.86 63.32 2vlq h ILE 38 Cb 0.77 1.90 -0.08 0.00 -3.07 0.00 0.00 36.82 36.34 2vlq h ILE 38 CO 0.06 0.37 0.45 0.00 -0.69 0.00 0.00 178.15 178.33 2vlq h ALA 39 N 0.60 1.18 -0.39 1.87 0.00 -0.82 -1.09 119.26 120.62 2vlq h ALA 39 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2vlq h ALA 39 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2vlq h ALA 39 CO 0.03 0.02 0.26 -0.44 0.00 0.00 0.00 179.25 179.12 2vlq h ASP 40 N 0.72 0.40 0.53 0.00 3.32 -0.46 0.14 116.42 121.06 2vlq h ASP 40 Ca 0.41 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.21 2vlq h ASP 40 Cb 0.45 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2vlq h ASP 40 CO -0.28 0.28 -1.09 0.11 -1.72 0.00 0.00 179.24 176.54 2vlq h LYS 41 N 0.47 0.31 0.00 3.56 1.79 -0.86 -3.36 116.57 118.48 2vlq h LYS 41 Ca 0.15 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2vlq h LYS 41 Cb 0.02 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2vlq h LYS 41 CO -0.03 1.14 -1.45 1.28 -1.08 0.00 0.00 179.45 179.31 2vlq n LEU 42 N -3.62 0.44 -4.72 2.94 4.77 -0.60 -4.91 117.00 111.29 2vlq n LEU 42 Ca -0.07 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2vlq n LEU 42 Cb 0.93 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.96 2vlq n LEU 42 CO 0.52 -0.05 1.12 -1.14 -1.33 0.00 0.00 177.39 176.51 2vlq n ARG 43 N -2.32 2.44 -0.54 3.23 0.63 0.45 -1.52 116.66 119.03 2vlq n ARG 43 Ca -0.01 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2vlq n ARG 43 Cb 0.53 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.86 2vlq n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2vlq n ASP 44 N 1.70 0.00 -4.81 6.15 8.00 0.39 -4.98 116.55 123.00 2vlq n ASP 44 Ca 0.08 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 2vlq n ASP 44 Cb 0.36 -0.84 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 2vlq n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2vlq s LYS 45 N -0.26 4.29 -0.07 -1.24 -0.14 -0.57 -4.77 119.74 116.98 2vlq s LYS 45 Ca 0.00 1.11 -0.13 0.00 -1.36 0.00 0.00 55.97 55.59 2vlq s LYS 45 Cb 0.00 -2.38 -0.05 0.00 -1.68 0.00 0.00 37.83 33.72 2vlq s LYS 45 CO 0.00 0.08 0.33 -2.00 -0.76 0.00 0.00 175.35 173.00 2vlq s GLU 46 N -2.86 3.93 0.13 1.68 2.12 -1.26 -0.77 118.70 121.67 2vlq s GLU 46 Ca 0.58 0.23 0.09 0.00 0.36 0.00 0.00 54.97 56.23 2vlq s GLU 46 Cb -0.12 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2vlq s GLU 46 CO 0.16 0.57 -0.22 -0.06 -0.54 0.00 0.00 175.26 175.17 2vlq s PHE 47 N -0.61 1.97 -0.24 5.30 0.40 -0.14 -4.98 117.98 119.67 2vlq s PHE 47 Ca 0.20 -0.41 0.18 0.00 -0.60 0.00 0.00 56.93 56.30 2vlq s PHE 47 Cb -0.15 -1.05 0.16 0.00 0.51 0.00 0.00 43.02 42.50 2vlq s PHE 47 CO 0.09 0.29 1.50 0.87 0.70 0.00 0.00 175.22 178.67 2vlq h LYS 48 N 3.78 0.00 -2.51 0.44 6.56 -1.89 -1.82 116.57 121.13 2vlq h LYS 48 Ca -0.47 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.26 2vlq h LYS 48 Cb 1.19 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.76 2vlq h LYS 48 CO 0.42 0.34 0.42 -1.54 -2.06 0.00 0.00 179.45 177.03 2vlq s SER 49 N -6.38 -0.23 0.31 0.86 1.04 -1.26 -2.48 113.70 105.56 2vlq s SER 49 Ca 0.05 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.10 2vlq s SER 49 Cb 0.07 0.54 0.52 0.00 0.10 0.00 0.00 66.02 67.24 2vlq s SER 49 CO 0.72 -0.97 1.88 0.15 0.98 0.00 0.00 173.24 175.99 2vlq h PHE 50 N 2.00 0.73 -0.52 5.02 3.57 -1.18 -1.83 116.94 124.72 2vlq h PHE 50 Ca -0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 2vlq h PHE 50 Cb 1.24 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2vlq h PHE 50 CO 0.37 0.61 0.26 0.22 -2.23 0.00 0.00 178.31 177.54 2vlq h ASP 51 N 0.71 0.65 -0.30 0.41 -0.00 -1.96 0.16 116.42 116.08 2vlq h ASP 51 Ca 0.16 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 2vlq h ASP 51 Cb 0.23 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.39 2vlq h ASP 51 CO -0.01 0.55 -0.18 0.44 -0.00 0.00 0.00 179.24 180.05 2vlq h ASP 52 N 0.73 0.67 -0.40 2.28 3.32 -1.78 -1.88 116.42 119.36 2vlq h ASP 52 Ca 0.18 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.85 2vlq h ASP 52 Cb 0.06 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2vlq h ASP 52 CO -0.03 0.95 0.15 0.15 -1.72 0.00 0.00 179.24 178.75 2vlq h PHE 53 N 0.40 0.27 -0.65 4.55 3.57 -0.78 -1.69 116.94 122.60 2vlq h PHE 53 Ca 0.06 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2vlq h PHE 53 Cb 0.71 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2vlq h PHE 53 CO 0.06 0.12 0.35 -0.09 -2.23 0.00 0.00 178.31 176.52 2vlq h ARG 54 N 0.32 0.62 -0.78 1.11 2.43 -0.46 0.40 114.38 118.02 2vlq h ARG 54 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2vlq h ARG 54 Cb 0.15 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2vlq h ARG 54 CO -0.17 0.41 0.50 -0.22 -1.51 0.00 0.00 179.97 178.97 2vlq h LYS 55 N 0.64 1.05 -0.91 0.20 3.64 -1.12 -2.22 116.57 117.84 2vlq h LYS 55 Ca 0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2vlq h LYS 55 Cb 0.21 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2vlq h LYS 55 CO -0.20 0.71 0.57 0.00 -2.27 0.00 0.00 179.45 178.27 2vlq h ALA 56 N 1.27 1.29 -0.25 5.00 0.00 -0.49 0.12 119.26 126.20 2vlq h ALA 56 Ca 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2vlq h ALA 56 Cb -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 2vlq h ALA 56 CO -0.06 0.63 0.10 0.28 0.00 0.00 0.00 179.25 180.20 2vlq h VAL 57 N 1.25 0.96 -0.00 0.00 2.07 -0.36 0.10 116.25 120.26 2vlq h VAL 57 Ca 0.33 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.61 2vlq h VAL 57 Cb -0.09 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2vlq h VAL 57 CO -0.07 0.04 -0.78 -0.50 0.02 0.00 0.00 177.57 176.28 2vlq h TRP 58 N 0.22 0.11 -0.63 1.57 4.06 -1.02 0.09 115.95 120.34 2vlq h TRP 58 Ca 0.10 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 61.01 2vlq h TRP 58 Cb 0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 2vlq h TRP 58 CO -0.11 0.83 0.41 0.93 -3.56 0.00 0.00 178.44 176.93 2vlq h GLU 59 N 0.05 0.80 -0.59 0.49 5.08 -0.50 -1.23 114.58 118.68 2vlq h GLU 59 Ca -0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2vlq h GLU 59 Cb 1.37 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2vlq h GLU 59 CO 0.11 0.53 0.06 0.93 -1.00 0.00 0.00 179.01 179.63 2vlq h GLU 60 N 0.82 0.97 -0.70 2.33 4.39 -0.07 -2.12 114.58 120.20 2vlq h GLU 60 Ca 0.24 -0.26 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2vlq h GLU 60 Cb -0.05 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.42 2vlq h GLU 60 CO -0.07 0.92 0.37 0.28 -1.16 0.00 0.00 179.01 179.35 2vlq h VAL 61 N 0.91 0.90 0.00 3.13 2.07 -0.62 -1.59 116.25 121.05 2vlq h VAL 61 Ca 0.18 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2vlq h VAL 61 Cb 0.45 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2vlq h VAL 61 CO 0.02 0.12 -0.18 0.77 0.02 0.00 0.00 177.57 178.32 2vlq h SER 62 N 0.65 0.00 0.96 0.57 4.64 -0.59 -2.33 113.55 117.45 2vlq h SER 62 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2vlq h SER 62 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2vlq h SER 62 CO -0.23 0.18 -0.31 0.29 -0.87 0.00 0.00 176.83 175.88 2vlq n LYS 63 N -4.14 0.16 -3.53 4.77 5.02 -0.64 -4.78 118.16 115.03 2vlq n LYS 63 Ca -0.02 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2vlq n LYS 63 Cb 0.25 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 2vlq n LYS 63 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2vlq s ASP 64 N -3.76 5.95 0.32 4.39 2.15 -0.88 -4.97 116.67 119.87 2vlq s ASP 64 Ca 0.10 -0.81 0.01 0.00 0.43 0.00 0.00 52.55 52.28 2vlq s ASP 64 Cb 0.15 -2.11 0.55 0.00 -0.30 0.00 0.00 42.92 41.22 2vlq s ASP 64 CO 0.64 -0.38 1.95 -0.65 -0.17 0.00 0.00 175.17 176.57 2vlq h PRO 65 N 8.53 0.96 -0.04 4.34 0.11 -1.86 -2.15 132.00 141.90 2vlq h PRO 65 Ca -0.28 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 2vlq h PRO 65 Cb 1.12 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2vlq h PRO 65 CO 0.69 0.63 -0.70 0.93 -0.21 0.00 0.00 178.00 179.34 2vlq h GLU 66 N 0.99 0.20 0.00 1.05 4.39 -1.93 -1.62 114.58 117.66 2vlq h GLU 66 Ca 0.33 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2vlq h GLU 66 Cb 0.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2vlq h GLU 66 CO -0.10 0.82 -0.28 1.28 -1.16 0.00 0.00 179.01 179.57 2vlq n LEU 67 N -3.79 0.62 -0.11 1.33 4.77 -0.86 -3.50 117.00 115.46 2vlq n LEU 67 Ca -0.03 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.38 2vlq n LEU 67 Cb 0.69 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2vlq n LEU 67 CO 0.45 -0.07 0.08 -1.54 -1.33 0.00 0.00 177.39 174.98 2vlq n SER 68 N -2.01 0.86 0.03 -1.43 3.41 -0.89 -4.68 113.62 108.91 2vlq n SER 68 Ca 0.05 -0.93 0.09 0.00 -0.26 0.00 0.00 58.87 57.82 2vlq n SER 68 Cb 0.41 0.77 0.53 0.00 -0.26 0.00 0.00 64.21 65.65 2vlq n SER 68 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2vlq h LYS 69 N 0.56 0.32 0.00 4.33 3.64 -1.33 -1.55 116.57 122.54 2vlq h LYS 69 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2vlq h LYS 69 Cb 0.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2vlq h LYS 69 CO 0.00 0.21 -0.22 -1.71 -2.27 0.00 0.00 179.45 175.46 2vlq n ASN 70 N -4.48 0.73 -4.77 4.20 5.15 -1.26 -4.83 115.26 110.01 2vlq n ASN 70 Ca 0.05 0.40 -0.38 0.00 -0.60 0.00 0.00 54.58 54.04 2vlq n ASN 70 Cb 0.23 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 39.02 2vlq n ASN 70 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2vlq s LEU 71 N -4.32 4.21 0.86 1.20 1.43 -0.59 -5.03 118.68 116.43 2vlq s LEU 71 Ca 0.09 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 2vlq s LEU 71 Cb 0.13 -3.99 0.11 0.00 0.03 0.00 0.00 46.19 42.47 2vlq s LEU 71 CO 0.64 -0.69 1.19 0.54 0.23 0.00 0.00 176.35 178.25 2vlq s ASN 72 N -1.06 4.07 0.38 2.29 4.22 -1.26 -4.71 114.94 118.86 2vlq s ASN 72 Ca 0.57 0.75 0.11 0.00 -2.14 0.00 0.00 52.86 52.15 2vlq s ASN 72 Cb -0.32 -1.20 0.88 0.00 1.28 0.00 0.00 41.25 41.89 2vlq s ASN 72 CO 0.40 -2.18 1.89 -0.65 -2.04 0.00 0.00 177.10 174.53 2vlq h PRO 73 N -1.25 0.59 -0.43 3.55 0.11 -1.98 0.46 132.00 133.06 2vlq h PRO 73 Ca -0.47 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 2vlq h PRO 73 Cb 1.32 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2vlq h PRO 73 CO 0.61 0.39 -0.24 0.77 -0.21 0.00 0.00 178.00 179.33 2vlq h SER 74 N 0.61 0.95 0.70 -2.05 0.02 -2.00 -1.51 113.55 110.28 2vlq h SER 74 Ca 0.41 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2vlq h SER 74 Cb 0.72 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2vlq h SER 74 CO -0.17 1.16 -0.55 0.78 -1.14 0.00 0.00 176.83 176.91 2vlq h ASN 75 N 0.75 0.00 -0.35 3.07 2.35 -1.69 -2.27 115.58 117.44 2vlq h ASN 75 Ca 0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 2vlq h ASN 75 Cb 0.81 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 2vlq h ASN 75 CO 0.07 0.55 -0.16 0.11 -1.65 0.00 0.00 177.43 176.35 2vlq h LYS 76 N 0.00 0.82 -0.64 0.81 1.57 -0.65 -0.93 116.57 117.54 2vlq h LYS 76 Ca -0.01 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2vlq h LYS 76 Cb 1.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2vlq h LYS 76 CO 0.07 0.92 0.30 0.77 -0.57 0.00 0.00 179.45 180.95 2vlq h SER 77 N 0.72 0.85 0.31 0.86 0.02 -0.96 -1.29 113.55 114.07 2vlq h SER 77 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2vlq h SER 77 Cb 0.67 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2vlq h SER 77 CO 0.05 0.75 -0.18 0.28 -1.14 0.00 0.00 176.83 176.58 2vlq h SER 78 N 0.89 -0.45 0.45 3.07 0.02 -0.89 -2.82 113.55 113.81 2vlq h SER 78 Ca 0.22 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2vlq h SER 78 Cb 0.13 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2vlq h SER 78 CO -0.03 -0.30 -0.27 -0.37 -1.14 0.00 0.00 176.83 174.73 2vlq h VAL 79 N -0.47 0.95 -0.16 2.27 -1.51 -1.07 -1.38 116.25 114.88 2vlq h VAL 79 Ca -0.03 -1.01 0.05 0.00 -1.23 0.00 0.00 66.70 64.47 2vlq h VAL 79 Cb 0.38 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 2vlq h VAL 79 CO 0.04 0.26 0.16 0.77 -1.23 0.00 0.00 177.57 177.57 2vlq h SER 80 N 0.00 0.00 0.08 4.19 4.64 -0.98 -0.22 113.55 121.26 2vlq h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vlq h SER 80 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2vlq h SER 80 CO 0.04 0.00 -0.13 0.29 -0.87 0.00 0.00 176.83 176.15 2vlq n LYS 81 N -3.94 1.38 -0.92 4.77 4.76 -0.59 -4.93 118.16 118.68 2vlq n LYS 81 Ca 0.01 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.57 2vlq n LYS 81 Cb 0.28 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 2vlq n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vlq n GLY 82 N 1.27 0.51 3.86 0.72 0.00 -0.09 -4.99 105.19 106.47 2vlq n GLY 82 Ca 0.15 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2vlq n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vlq s TYR 83 N -2.00 3.42 0.31 1.61 2.02 -0.78 -4.50 117.35 117.43 2vlq s TYR 83 Ca 0.00 1.12 -0.29 0.00 -0.37 0.00 0.00 57.07 57.53 2vlq s TYR 83 Cb 0.00 -2.48 -0.10 0.00 -0.40 0.00 0.00 41.96 38.99 2vlq s TYR 83 CO 0.00 0.00 1.16 0.45 -1.57 0.00 0.00 175.55 175.59 2vlq s SER 84 N -2.72 7.05 0.52 2.29 0.15 -1.26 -3.60 113.70 116.14 2vlq s SER 84 Ca 0.52 2.39 -0.19 0.00 0.70 0.00 0.00 55.95 59.37 2vlq s SER 84 Cb -0.10 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 2vlq s SER 84 CO 0.24 -0.31 1.05 -2.16 1.20 0.00 0.00 173.24 173.27 2vlq s PRO 85 N -1.65 3.66 0.29 5.44 0.04 -1.26 -4.75 135.00 136.78 2vlq s PRO 85 Ca 0.47 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2vlq s PRO 85 Cb -0.34 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 2vlq s PRO 85 CO 0.44 -0.55 1.26 0.00 0.04 0.00 0.00 177.00 178.19 2vlq s ALA 86 N -2.10 3.48 0.65 8.56 0.00 -1.26 -1.78 121.76 129.31 2vlq s ALA 86 Ca 0.67 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 53.70 2vlq s ALA 86 Cb -0.17 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2vlq s ALA 86 CO 0.25 -0.51 0.98 0.95 0.00 0.00 0.00 175.76 177.43 2vlq s THR 87 N -0.92 3.25 0.51 0.00 -4.23 -0.21 -4.85 115.64 109.19 2vlq s THR 87 Ca 0.49 0.04 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 2vlq s THR 87 Cb -0.37 -3.34 -0.07 0.00 1.34 0.00 0.00 72.50 70.05 2vlq s THR 87 CO 0.47 -0.38 1.09 -2.65 -0.54 0.00 0.00 174.62 172.61 2vlq n PRO 88 N -2.78 1.32 -0.32 3.99 -0.02 -1.26 -4.87 135.00 131.07 2vlq n PRO 88 Ca 0.06 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 2vlq n PRO 88 Cb 0.58 -2.23 0.32 0.00 -0.02 0.00 0.00 33.50 32.15 2vlq n PRO 88 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2vlq h LYS 89 N 1.20 0.50 0.00 -0.52 3.64 -1.96 0.18 116.57 119.61 2vlq h LYS 89 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2vlq h LYS 89 Cb 1.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2vlq h LYS 89 CO 0.55 0.33 0.00 0.27 -2.27 0.00 0.00 179.45 178.33 2vlq n ASN 90 N -4.95 0.00 -0.66 4.20 0.23 -1.26 -1.56 115.26 111.26 2vlq n ASN 90 Ca 0.23 0.19 0.07 0.00 -0.53 0.00 0.00 54.58 54.53 2vlq n ASN 90 Cb 0.64 -0.33 0.12 0.00 -2.08 0.00 0.00 39.78 38.14 2vlq n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vlq n GLN 91 N -1.33 1.90 -2.69 -3.83 1.13 0.05 -4.96 117.38 107.66 2vlq n GLN 91 Ca 0.05 -1.75 -0.28 0.00 -1.94 0.00 0.00 57.00 53.08 2vlq n GLN 91 Cb 0.10 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.16 2vlq n GLN 91 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2vlq s GLN 92 N -1.06 3.57 -0.25 -1.09 -0.21 -0.60 -1.30 119.66 118.72 2vlq s GLN 92 Ca 0.22 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.80 2vlq s GLN 92 Cb 0.13 -2.39 0.08 0.00 1.00 0.00 0.00 33.01 31.83 2vlq s GLN 92 CO 0.18 -0.17 0.06 0.08 -2.12 0.00 0.00 175.29 173.32 2vlq s VAL 93 N -2.68 0.68 0.00 1.09 1.01 -0.07 -4.59 120.40 115.84 2vlq s VAL 93 Ca 0.48 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2vlq s VAL 93 Cb -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2vlq s VAL 93 CO 0.43 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2vlq n GLY 94 N 4.96 3.40 0.39 4.51 0.00 -1.26 -0.45 105.19 116.74 2vlq n GLY 94 Ca -0.06 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2vlq n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vlq n GLY 95 N 0.00 -0.07 3.40 -0.02 0.00 -1.26 -4.58 105.19 102.66 2vlq n GLY 95 Ca 0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.28 2vlq n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vlq s ARG 96 N -1.81 3.07 0.00 1.61 0.52 0.40 -4.84 118.95 117.91 2vlq s ARG 96 Ca 0.26 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2vlq s ARG 96 Cb 0.13 -4.23 0.02 0.00 0.52 0.00 0.00 34.95 31.39 2vlq s ARG 96 CO 0.20 -1.52 0.60 1.63 0.02 0.00 0.00 175.30 176.24 2vlq n LYS 97 N 6.47 -0.40 -4.37 3.54 5.02 -1.26 -0.90 118.16 126.26 2vlq n LYS 97 Ca -0.08 -0.70 -0.20 0.00 -2.02 0.00 0.00 58.31 55.31 2vlq n LYS 97 Cb 0.43 -1.03 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 2vlq n LYS 97 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2vlq s VAL 98 N -0.23 1.86 0.50 -0.18 -7.23 -1.26 -1.05 120.40 112.81 2vlq s VAL 98 Ca 0.02 -2.24 -0.23 0.00 -1.81 0.00 0.00 61.98 57.72 2vlq s VAL 98 Cb 0.01 -2.12 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 2vlq s VAL 98 CO 0.02 -0.54 1.36 -1.22 -0.31 0.00 0.00 175.10 174.41 2vlq n TYR 99 N -0.44 2.36 -4.81 2.82 4.02 -0.73 -4.33 117.16 116.04 2vlq n TYR 99 Ca -0.07 0.44 -0.31 0.00 -0.01 0.00 0.00 57.90 57.96 2vlq n TYR 99 Cb 0.61 -2.39 -0.14 0.00 -0.02 0.00 0.00 39.34 37.40 2vlq n TYR 99 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2vlq s GLU 100 N -2.63 1.95 -0.27 -0.72 2.02 0.56 -4.84 118.70 114.77 2vlq s GLU 100 Ca 0.67 -1.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 2vlq s GLU 100 Cb -0.44 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 2vlq s GLU 100 CO 0.53 0.53 0.17 -0.51 0.02 0.00 0.00 175.26 176.00 2vlq s LEU 101 N -1.29 4.00 0.15 1.80 1.43 -1.26 -0.64 118.68 122.86 2vlq s LEU 101 Ca 0.13 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2vlq s LEU 101 Cb -0.10 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2vlq s LEU 101 CO 0.03 -0.02 -0.16 -1.00 0.23 0.00 0.00 176.35 175.43 2vlq s HIS 102 N 1.56 1.64 -0.12 0.29 3.76 -0.24 -4.96 115.29 117.22 2vlq s HIS 102 Ca 0.07 -0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 54.30 2vlq s HIS 102 Cb -0.15 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.67 2vlq s HIS 102 CO 0.09 0.26 0.41 -1.01 -0.85 0.00 0.00 174.74 173.64 2vlq s HIS 103 N -2.19 3.51 -0.03 1.40 3.76 -1.26 -0.33 115.29 120.16 2vlq s HIS 103 Ca 0.14 0.80 -0.18 0.00 -0.15 0.00 0.00 55.06 55.67 2vlq s HIS 103 Cb -0.05 -2.46 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 2vlq s HIS 103 CO 0.05 0.23 0.74 0.22 -0.85 0.00 0.00 174.74 175.13 2vlq h ASP 104 N 6.54 -0.52 -3.33 1.40 3.58 -1.22 -3.39 116.42 119.49 2vlq h ASP 104 Ca -0.42 0.01 -0.60 0.00 0.42 0.00 0.00 57.03 56.44 2vlq h ASP 104 Cb 1.18 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 42.27 2vlq h ASP 104 CO 0.74 -0.10 0.48 -0.75 -2.88 0.00 0.00 179.24 176.73 2vlq s LYS 105 N -3.62 4.11 0.54 0.28 2.20 -1.26 -5.02 119.74 116.97 2vlq s LYS 105 Ca -0.09 0.85 -0.21 0.00 -0.36 0.00 0.00 55.97 56.16 2vlq s LYS 105 Cb 0.01 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 2vlq s LYS 105 CO 0.29 -0.59 1.19 -2.30 -0.36 0.00 0.00 175.35 173.58 2vlq n PRO 106 N 6.13 1.43 -0.16 4.03 -0.02 -1.26 -3.97 135.00 141.17 2vlq n PRO 106 Ca 0.06 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2vlq n PRO 106 Cb 0.48 -2.37 0.20 0.00 -0.02 0.00 0.00 33.50 31.78 2vlq n PRO 106 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2vlq h ILE 107 N 1.21 1.22 0.00 4.25 2.04 -1.92 -0.25 117.51 124.06 2vlq h ILE 107 Ca -0.49 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2vlq h ILE 107 Cb 1.33 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2vlq h ILE 107 CO 0.55 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 177.44 2vlq n SER 108 N -4.31 0.45 -0.80 1.72 3.41 -1.26 -2.12 113.62 110.71 2vlq n SER 108 Ca 0.05 0.66 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 2vlq n SER 108 Cb 0.17 -0.74 0.23 0.00 -0.26 0.00 0.00 64.21 63.62 2vlq n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vlq n GLN 109 N -2.05 2.52 0.00 4.33 1.13 -0.40 -4.94 117.38 117.96 2vlq n GLN 109 Ca 0.01 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.22 2vlq n GLN 109 Cb 0.12 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.68 2vlq n GLN 109 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vlq n GLY 110 N -0.74 0.54 3.77 1.08 0.00 -0.90 -4.87 105.19 104.08 2vlq n GLY 110 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2vlq n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vlq s GLY 111 N -0.94 2.81 0.33 -0.02 0.00 -0.24 -4.97 107.32 104.29 2vlq s GLY 111 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 44.72 45.45 2vlq s GLY 111 CO 0.00 1.31 0.69 -0.54 0.00 0.00 0.00 173.10 174.56 2vlq s GLU 112 N -2.39 3.83 0.02 2.90 2.02 -1.26 -4.23 118.70 119.60 2vlq s GLU 112 Ca 0.57 0.43 -0.18 0.00 0.02 0.00 0.00 54.97 55.81 2vlq s GLU 112 Cb -0.27 -2.49 -0.23 0.00 0.10 0.00 0.00 34.13 31.25 2vlq s GLU 112 CO 0.33 0.13 1.13 0.28 0.02 0.00 0.00 175.26 177.15 2vlq h VAL 113 N 1.58 1.39 -0.28 2.63 2.07 -1.95 -3.34 116.25 118.35 2vlq h VAL 113 Ca -0.47 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2vlq h VAL 113 Cb 1.18 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2vlq h VAL 113 CO 0.66 0.62 0.00 -1.22 0.02 0.00 0.00 177.57 177.65 2vlq n TYR 114 N -4.14 0.62 -2.57 1.57 4.02 -1.26 -4.92 117.16 110.49 2vlq n TYR 114 Ca -0.10 -0.67 -0.42 0.00 -0.01 0.00 0.00 57.90 56.70 2vlq n TYR 114 Cb 0.71 -0.15 -0.02 0.00 -0.02 0.00 0.00 39.34 39.86 2vlq n TYR 114 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2vlq s ASP 115 N -1.43 6.40 0.41 7.72 2.15 -1.25 -1.53 116.67 129.13 2vlq s ASP 115 Ca 0.30 0.07 0.29 0.00 0.43 0.00 0.00 52.55 53.63 2vlq s ASP 115 Cb 0.21 -2.55 1.37 0.00 -0.30 0.00 0.00 42.92 41.65 2vlq s ASP 115 CO 0.12 -1.53 1.87 0.24 -0.17 0.00 0.00 175.17 175.70 2vlq h MET 116 N 9.68 0.00 -0.00 4.34 2.86 -0.47 0.18 114.93 131.51 2vlq h MET 116 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2vlq h MET 116 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2vlq h MET 116 CO 1.20 0.00 -0.05 -0.25 1.06 0.00 0.00 176.91 178.86 2vlq n ASP 117 N -2.56 0.24 -0.79 1.22 8.00 -1.26 -3.30 116.55 118.10 2vlq n ASP 117 Ca -0.00 -0.45 0.07 0.00 0.71 0.00 0.00 54.79 55.12 2vlq n ASP 117 Cb 0.16 -0.15 0.18 0.00 -0.02 0.00 0.00 41.12 41.29 2vlq n ASP 117 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2vlq n ASN 118 N -1.08 3.10 -4.45 -2.24 5.15 0.61 -4.97 115.26 111.38 2vlq n ASN 118 Ca 0.15 -1.97 -0.32 0.00 -0.60 0.00 0.00 54.58 51.85 2vlq n ASN 118 Cb 0.24 -0.27 -0.13 0.00 -0.53 0.00 0.00 39.78 39.09 2vlq n ASN 118 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2vlq s ILE 119 N -1.01 2.82 0.09 -1.44 1.01 -1.19 -0.62 121.20 120.85 2vlq s ILE 119 Ca 0.28 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 60.04 2vlq s ILE 119 Cb 0.15 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2vlq s ILE 119 CO 0.20 0.49 -0.19 -0.13 0.00 0.00 0.00 174.94 175.30 2vlq s ARG 120 N -1.00 1.08 -0.26 2.79 1.81 0.56 -3.99 118.95 119.94 2vlq s ARG 120 Ca 0.13 -1.07 -0.10 0.00 -1.72 0.00 0.00 55.73 52.96 2vlq s ARG 120 Cb -0.10 -1.26 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 2vlq s ARG 120 CO 0.02 0.29 0.15 0.08 -0.68 0.00 0.00 175.30 175.16 2vlq s VAL 121 N -1.13 5.05 0.15 3.52 1.01 0.12 -1.08 120.40 128.04 2vlq s VAL 121 Ca 0.04 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2vlq s VAL 121 Cb -0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2vlq s VAL 121 CO 0.03 0.31 -0.14 0.42 0.00 0.00 0.00 175.10 175.72 2vlq s THR 122 N 1.45 1.49 0.70 3.92 -4.23 0.18 -0.62 115.64 118.53 2vlq s THR 122 Ca 0.07 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 2vlq s THR 122 Cb -0.15 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.94 2vlq s THR 122 CO 0.07 -0.50 1.07 0.42 -0.54 0.00 0.00 174.62 175.14 2vlq s THR 123 N -2.53 3.80 0.23 3.99 -4.23 -0.65 -0.32 115.64 115.93 2vlq s THR 123 Ca 0.15 0.62 -0.06 0.00 -1.18 0.00 0.00 61.69 61.22 2vlq s THR 123 Cb -0.03 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.74 2vlq s THR 123 CO 0.04 -0.73 1.80 -0.65 -0.54 0.00 0.00 174.62 174.54 2vlq h PRO 124 N -0.66 0.69 -0.32 3.99 0.11 -1.74 -0.26 132.00 133.81 2vlq h PRO 124 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2vlq h PRO 124 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2vlq h PRO 124 CO 0.55 0.45 0.18 -0.22 -0.21 0.00 0.00 178.00 178.76 2vlq h LYS 125 N 0.71 0.43 -0.59 1.05 3.64 -1.45 -1.01 116.57 119.36 2vlq h LYS 125 Ca 0.37 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2vlq h LYS 125 Cb 0.35 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2vlq h LYS 125 CO -0.25 0.35 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.15 2vlq h ARG 126 N 0.40 1.07 -0.40 1.90 9.65 -1.71 -0.70 114.38 124.59 2vlq h ARG 126 Ca 0.11 -0.36 0.04 0.00 -1.10 0.00 0.00 59.98 58.67 2vlq h ARG 126 Cb 0.04 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 2vlq h ARG 126 CO -0.02 1.07 0.17 1.25 2.80 0.00 0.00 179.97 185.24 2vlq h HIS 127 N 0.97 0.32 -0.54 2.20 2.76 -0.78 -1.06 115.15 119.01 2vlq h HIS 127 Ca 0.16 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 2vlq h HIS 127 Cb 0.61 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2vlq h HIS 127 CO 0.04 0.15 0.05 0.82 -1.30 0.00 0.00 177.93 177.69 2vlq h ILE 128 N 0.36 1.24 -0.55 6.26 1.08 -0.86 0.42 117.51 125.46 2vlq h ILE 128 Ca 0.18 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2vlq h ILE 128 Cb 0.12 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2vlq h ILE 128 CO -0.15 0.35 0.23 0.44 -0.69 0.00 0.00 178.15 178.34 2vlq h ASP 129 N 0.82 0.75 -0.01 1.72 3.45 -0.78 0.53 116.42 122.90 2vlq h ASP 129 Ca 0.17 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 2vlq h ASP 129 Cb 0.41 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2vlq h ASP 129 CO 0.01 0.70 0.01 0.40 -1.57 0.00 0.00 179.24 178.79 2vlq h ILE 130 N 0.75 1.06 -0.72 0.35 2.04 -0.96 -2.74 117.51 117.30 2vlq h ILE 130 Ca 0.19 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2vlq h ILE 130 Cb 0.17 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2vlq h ILE 130 CO -0.02 0.05 0.43 -0.74 0.00 0.00 0.00 178.15 177.88 2vlq h HIS 131 N -0.06 0.94 0.00 1.37 2.76 -0.66 -2.30 115.15 117.20 2vlq h HIS 131 Ca 0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2vlq h HIS 131 Cb 0.07 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 2vlq h HIS 131 CO -0.05 0.63 -0.06 0.00 -1.30 0.00 0.00 177.93 177.15 2vlq h ARG 132 N 0.98 0.00 -0.00 5.26 3.08 -0.79 -2.52 114.38 120.39 2vlq h ARG 132 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2vlq h ARG 132 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2vlq h ARG 132 CO -0.05 0.06 -0.31 0.41 -1.07 0.00 0.00 179.97 179.01 2vlq n GLY 133 N -0.58 -1.33 0.00 0.04 0.00 -0.87 -5.10 105.19 97.35 2vlq n GLY 133 Ca -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.82 2vlq n GLY 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60