#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wut n MET 0 N 0.00 2.45 -1.71 1.61 0.00 -1.26 -4.91 117.12 113.30 2wut n MET 0 Ca 0.00 0.88 -0.43 0.00 0.00 0.00 0.00 57.70 58.15 2wut n MET 0 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 33.22 30.51 2wut n MET 0 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2wut n SER 1 N 3.91 3.18 0.28 6.12 2.88 -1.26 -4.86 113.62 123.87 2wut n SER 1 Ca 0.17 1.16 0.19 0.00 -1.33 0.00 0.00 58.87 59.06 2wut n SER 1 Cb 0.32 -1.50 1.00 0.00 -0.75 0.00 0.00 64.21 63.28 2wut n SER 1 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2wut h ASN 2 N 4.06 0.00 0.17 -3.46 2.35 -1.99 -1.90 115.58 114.81 2wut h ASN 2 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2wut h ASN 2 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2wut h ASN 2 CO 0.74 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 176.63 2wut h LYS 3 N 0.00 0.00 0.00 0.81 1.57 -2.02 -0.82 116.57 116.11 2wut h LYS 3 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2wut h LYS 3 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2wut h LYS 3 CO 0.00 0.00 -0.33 0.74 -0.57 0.00 0.00 179.45 179.29 2wut h PHE 4 N 0.00 0.00 -3.05 -1.35 0.04 -1.71 -3.45 116.94 107.42 2wut h PHE 4 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 2wut h PHE 4 Cb 0.08 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.26 2wut h PHE 4 CO 0.00 0.33 0.73 -0.51 -0.60 0.00 0.00 178.31 178.26 2wut s LEU 5 N -6.94 4.38 0.00 1.54 1.43 -0.32 -4.61 118.68 114.16 2wut s LEU 5 Ca 0.00 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2wut s LEU 5 Cb 0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2wut s LEU 5 CO 0.67 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2wut n GLY 6 N 3.33 0.84 3.56 -3.19 0.00 -0.20 -4.97 105.19 104.57 2wut n GLY 6 Ca 0.11 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 2wut n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wut s THR 7 N -1.95 4.07 -0.02 2.61 2.01 -1.26 -0.98 115.64 120.11 2wut s THR 7 Ca 0.00 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.75 2wut s THR 7 Cb 0.00 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 2wut s THR 7 CO 0.00 0.52 -0.19 0.26 -0.69 0.00 0.00 174.62 174.52 2wut s TRP 8 N 0.03 1.74 -0.11 4.92 0.52 0.57 -0.70 118.94 125.91 2wut s TRP 8 Ca 0.01 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.77 2wut s TRP 8 Cb -0.13 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 2wut s TRP 8 CO 0.02 -0.07 -0.19 0.21 0.02 0.00 0.00 176.95 176.95 2wut s LYS 9 N -0.32 3.16 0.12 4.98 2.47 0.00 -0.11 119.74 130.04 2wut s LYS 9 Ca 0.04 -0.78 -0.31 0.00 -1.56 0.00 0.00 55.97 53.36 2wut s LYS 9 Cb -0.09 -2.45 -0.10 0.00 -1.46 0.00 0.00 37.83 33.73 2wut s LYS 9 CO 0.00 0.23 1.86 -1.17 0.16 0.00 0.00 175.35 176.43 2wut s LEU 10 N 0.27 4.41 -0.00 5.43 2.96 -0.76 -1.16 118.68 129.82 2wut s LEU 10 Ca -0.13 2.78 0.05 0.00 -0.22 0.00 0.00 54.13 56.61 2wut s LEU 10 Cb -0.16 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 2wut s LEU 10 CO 0.07 -1.02 0.17 1.33 -1.32 0.00 0.00 176.35 175.58 2wut n VAL 11 N 4.81 0.00 -3.64 1.68 0.24 0.92 -4.87 118.33 117.47 2wut n VAL 11 Ca 0.18 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2wut n VAL 11 Cb 0.38 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.43 2wut n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wut s SER 12 N -1.92 -0.66 -0.09 -1.34 0.15 -1.05 -4.98 113.70 103.82 2wut s SER 12 Ca 0.00 1.19 -0.04 0.00 0.70 0.00 0.00 55.95 57.81 2wut s SER 12 Cb 0.04 1.19 0.05 0.00 -1.71 0.00 0.00 66.02 65.58 2wut s SER 12 CO 0.21 -0.28 0.18 -0.55 1.20 0.00 0.00 173.24 174.00 2wut s SER 13 N 0.10 0.67 -0.15 5.45 0.15 -1.26 -0.82 113.70 117.83 2wut s SER 13 Ca -0.02 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.02 2wut s SER 13 Cb -0.04 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 2wut s SER 13 CO 0.02 -0.24 -0.17 -0.70 1.20 0.00 0.00 173.24 173.35 2wut s GLU 14 N 2.28 2.60 -0.52 5.44 -6.30 0.02 -4.72 118.70 117.50 2wut s GLU 14 Ca 0.03 -0.68 0.00 0.00 -2.50 0.00 0.00 54.97 51.81 2wut s GLU 14 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2wut s GLU 14 CO -0.06 -0.17 0.00 -1.71 0.02 0.00 0.00 175.26 173.34 2wut n ASN 15 N 4.55 -3.62 0.05 -1.70 5.15 -1.26 -1.55 115.26 116.88 2wut n ASN 15 Ca -0.19 0.12 0.01 0.00 -0.60 0.00 0.00 54.58 53.92 2wut n ASN 15 Cb 0.50 -1.55 0.32 0.00 -0.53 0.00 0.00 39.78 38.53 2wut n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2wut h PHE 16 N 0.00 0.41 -0.13 1.20 3.57 -1.92 -2.35 116.94 117.73 2wut h PHE 16 Ca -0.10 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2wut h PHE 16 Cb 0.33 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2wut h PHE 16 CO 0.14 0.49 0.03 0.22 -2.23 0.00 0.00 178.31 176.96 2wut h ASP 17 N 0.37 0.20 -0.09 0.41 3.58 -1.95 0.08 116.42 119.03 2wut h ASP 17 Ca 0.08 -0.24 -0.06 0.00 0.42 0.00 0.00 57.03 57.23 2wut h ASP 17 Cb 0.40 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2wut h ASP 17 CO 0.02 0.39 -0.11 0.44 -2.88 0.00 0.00 179.24 177.10 2wut h ASP 18 N 0.00 0.38 -0.26 2.28 3.32 -1.97 -0.60 116.42 119.58 2wut h ASP 18 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2wut h ASP 18 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2wut h ASP 18 CO 0.00 0.53 0.10 0.22 -1.72 0.00 0.00 179.24 178.37 2wut h TYR 19 N 0.37 0.39 -0.90 4.55 3.20 -1.10 -1.35 116.97 122.14 2wut h TYR 19 Ca 0.07 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wut h TYR 19 Cb 0.42 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2wut h TYR 19 CO 0.01 0.41 0.55 0.52 -1.64 0.00 0.00 178.16 178.01 2wut h MET 20 N 0.26 1.22 -0.61 1.82 2.86 -0.67 -2.24 114.93 117.58 2wut h MET 20 Ca 0.09 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2wut h MET 20 Cb 0.18 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 2wut h MET 20 CO -0.01 0.85 0.37 0.87 1.06 0.00 0.00 176.91 180.05 2wut h LYS 21 N 1.24 0.71 -0.04 1.72 1.57 -0.95 -1.36 116.57 119.45 2wut h LYS 21 Ca 0.32 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 2wut h LYS 21 Cb -0.07 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2wut h LYS 21 CO -0.06 0.47 -0.03 0.00 -0.57 0.00 0.00 179.45 179.26 2wut h ALA 22 N 1.27 1.88 -0.00 3.86 0.00 -0.77 -0.86 119.26 124.63 2wut h ALA 22 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wut h ALA 22 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wut h ALA 22 CO -0.10 0.09 -0.01 1.28 0.00 0.00 0.00 179.25 180.51 2wut n LEU 23 N -4.47 0.03 0.00 0.00 4.77 -0.72 -4.91 117.00 111.70 2wut n LEU 23 Ca -0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2wut n LEU 23 Cb 0.13 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2wut n LEU 23 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wut n GLY 24 N 1.36 0.66 3.72 -0.72 0.00 -0.33 -5.04 105.19 104.84 2wut n GLY 24 Ca 0.12 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2wut n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wut s VAL 25 N -2.00 3.84 0.87 1.61 1.01 -0.59 -5.01 120.40 120.13 2wut s VAL 25 Ca 0.00 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.23 2wut s VAL 25 Cb 0.00 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2wut s VAL 25 CO 0.00 0.13 1.10 -0.83 0.00 0.00 0.00 175.10 175.50 2wut s GLY 26 N 0.86 1.61 0.14 4.51 0.00 -1.26 -4.55 107.32 108.63 2wut s GLY 26 Ca 0.58 -0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.94 2wut s GLY 26 CO 0.31 0.33 1.68 -2.00 0.00 0.00 0.00 173.10 173.41 2wut h LEU 27 N -1.41 -0.34 -0.86 0.66 5.85 -1.99 -0.87 115.31 116.35 2wut h LEU 27 Ca -0.49 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.24 2wut h LEU 27 Cb 1.28 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2wut h LEU 27 CO 0.57 -0.13 0.07 0.00 -0.34 0.00 0.00 178.44 178.60 2wut h ALA 28 N 1.11 1.06 -0.56 1.25 0.00 -2.00 -1.59 119.26 118.52 2wut h ALA 28 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2wut h ALA 28 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wut h ALA 28 CO -0.26 0.60 0.01 1.15 0.00 0.00 0.00 179.25 180.75 2wut h THR 29 N 0.86 1.26 -0.64 0.00 2.02 -1.87 -2.93 112.91 111.61 2wut h THR 29 Ca 0.17 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 2wut h THR 29 Cb 0.42 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2wut h THR 29 CO 0.01 0.40 0.20 0.03 0.37 0.00 0.00 175.52 176.53 2wut h ARG 30 N 0.87 0.97 -0.69 6.66 3.08 -0.73 0.11 114.38 124.65 2wut h ARG 30 Ca 0.16 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2wut h ARG 30 Cb 0.53 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2wut h ARG 30 CO 0.03 0.84 0.43 0.87 -1.07 0.00 0.00 179.97 181.06 2wut h LYS 31 N 0.94 0.82 -0.08 0.04 1.57 -1.17 0.23 116.57 118.91 2wut h LYS 31 Ca 0.21 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 2wut h LYS 31 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wut h LYS 31 CO -0.01 0.54 -0.81 -0.07 -0.57 0.00 0.00 179.45 178.54 2wut h LEU 32 N 0.84 0.67 -0.72 2.94 3.38 -1.28 -2.87 115.31 118.27 2wut h LEU 32 Ca 0.28 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2wut h LEU 32 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2wut h LEU 32 CO -0.11 1.23 0.46 1.23 0.09 0.00 0.00 178.44 181.34 2wut h GLY 33 N 0.99 1.03 2.00 0.83 0.00 -0.26 -1.42 103.07 106.24 2wut h GLY 33 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2wut h GLY 33 CO 0.15 0.31 -0.17 3.43 0.00 0.00 0.00 176.54 180.26 2wut h ASN 34 N 0.91 0.00 1.36 0.19 2.35 -0.53 -2.82 115.58 117.05 2wut h ASN 34 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 2wut h ASN 34 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2wut h ASN 34 CO -0.09 0.17 -0.65 -0.07 -1.65 0.00 0.00 177.43 175.13 2wut h LEU 35 N 0.00 0.00 -9.92 1.61 3.38 -1.19 -3.47 115.31 105.72 2wut h LEU 35 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2wut h LEU 35 Cb 0.66 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.48 2wut h LEU 35 CO 0.02 0.10 0.60 0.00 0.09 0.00 0.00 178.44 179.25 2wut s ALA 36 N -3.23 3.32 -0.58 1.53 0.00 -0.59 -4.99 121.76 117.22 2wut s ALA 36 Ca 0.02 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.21 2wut s ALA 36 Cb 0.08 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 19.92 2wut s ALA 36 CO 0.75 -0.69 0.47 1.63 0.00 0.00 0.00 175.76 177.92 2wut n LYS 37 N 0.36 1.28 -1.63 0.00 5.02 -1.26 -5.03 118.16 116.90 2wut n LYS 37 Ca 0.02 -3.98 -0.32 0.00 -2.02 0.00 0.00 58.31 52.01 2wut n LYS 37 Cb 0.44 -2.00 0.06 0.00 -0.02 0.00 0.00 35.03 33.50 2wut n LYS 37 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2wut s PRO 38 N -1.06 2.71 -0.11 1.97 0.02 -1.26 -4.67 135.00 132.61 2wut s PRO 38 Ca 0.30 1.27 -0.04 0.00 0.02 0.00 0.00 61.00 62.54 2wut s PRO 38 Cb 0.02 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 2wut s PRO 38 CO -0.16 -1.30 0.07 0.95 -0.33 0.00 0.00 177.00 176.22 2wut s THR 39 N -2.58 4.86 -0.14 0.99 -4.23 -0.33 -1.84 115.64 112.39 2wut s THR 39 Ca 0.64 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 2wut s THR 39 Cb -0.18 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.57 2wut s THR 39 CO 0.46 0.60 -0.21 -0.69 -0.54 0.00 0.00 174.62 174.24 2wut s VAL 40 N -0.85 2.19 -0.21 2.29 1.01 0.85 -0.58 120.40 125.10 2wut s VAL 40 Ca 0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wut s VAL 40 Cb -0.12 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2wut s VAL 40 CO 0.03 0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 174.93 2wut s ILE 41 N 0.72 2.74 -0.16 2.22 1.09 0.14 -0.32 121.20 127.62 2wut s ILE 41 Ca -0.09 -0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 58.68 2wut s ILE 41 Cb -0.16 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 2wut s ILE 41 CO 0.01 0.45 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.63 2wut s ILE 42 N 1.38 3.83 0.25 2.92 1.01 -0.16 -0.78 121.20 129.65 2wut s ILE 42 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2wut s ILE 42 Cb -0.14 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2wut s ILE 42 CO -0.08 0.48 0.26 -0.94 0.00 0.00 0.00 174.94 174.67 2wut s SER 43 N 0.51 0.45 -0.16 3.58 1.04 -0.51 -1.03 113.70 117.58 2wut s SER 43 Ca -0.03 -1.37 -0.14 0.00 0.48 0.00 0.00 55.95 54.89 2wut s SER 43 Cb -0.14 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.50 2wut s SER 43 CO 0.03 -0.99 0.41 -0.75 0.98 0.00 0.00 173.24 172.92 2wut s LYS 44 N -3.88 0.47 -0.22 4.02 2.20 -1.26 -0.83 119.74 120.24 2wut s LYS 44 Ca 0.35 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.53 2wut s LYS 44 Cb 0.04 0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.64 2wut s LYS 44 CO 0.15 -0.06 0.03 0.15 -0.36 0.00 0.00 175.35 175.25 2wut s LYS 45 N 0.30 0.86 7.82 4.03 1.02 -0.28 -5.00 119.74 128.49 2wut s LYS 45 Ca -0.01 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.33 2wut s LYS 45 Cb -0.03 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2wut s LYS 45 CO -0.00 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 2wut n GLY 46 N 4.94 3.38 1.28 -3.33 0.00 -1.26 -1.77 105.19 108.43 2wut n GLY 46 Ca -0.08 -0.13 0.10 0.00 0.00 0.00 0.00 46.02 45.91 2wut n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wut n ASP 47 N 5.64 3.73 -4.57 1.61 5.75 -1.26 -4.86 116.55 122.59 2wut n ASP 47 Ca 0.00 -2.07 -0.40 0.00 -0.01 0.00 0.00 54.79 52.30 2wut n ASP 47 Cb 0.00 -0.47 -0.09 0.00 -1.03 0.00 0.00 41.12 39.54 2wut n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wut s ILE 48 N -1.23 5.12 -0.09 2.12 1.01 -0.73 -4.45 121.20 122.95 2wut s ILE 48 Ca 0.45 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 61.31 2wut s ILE 48 Cb 0.25 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2wut s ILE 48 CO 0.29 -0.05 0.24 -0.63 0.00 0.00 0.00 174.94 174.79 2wut s ILE 49 N 2.15 5.33 -0.09 2.92 1.01 -0.02 -1.13 121.20 131.38 2wut s ILE 49 Ca 0.15 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.29 2wut s ILE 49 Cb -0.16 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2wut s ILE 49 CO 0.12 0.57 -0.22 -0.89 0.00 0.00 0.00 174.94 174.51 2wut s THR 50 N -0.78 1.93 -0.25 2.92 2.01 -0.01 -1.09 115.64 120.38 2wut s THR 50 Ca 0.18 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2wut s THR 50 Cb -0.14 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.75 2wut s THR 50 CO 0.07 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.80 2wut s ILE 51 N 0.33 2.43 -0.12 1.82 1.01 -0.10 -1.43 121.20 125.14 2wut s ILE 51 Ca -0.17 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 59.13 2wut s ILE 51 Cb -0.17 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2wut s ILE 51 CO 0.08 0.10 -0.10 -0.60 0.00 0.00 0.00 174.94 174.42 2wut s ARG 52 N 1.20 3.30 -0.13 2.79 3.52 0.04 -1.70 118.95 127.98 2wut s ARG 52 Ca -0.04 -0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2wut s ARG 52 Cb -0.18 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 2wut s ARG 52 CO -0.06 0.32 -0.12 0.99 -0.81 0.00 0.00 175.30 175.62 2wut s THR 53 N 0.11 3.14 -0.10 4.11 2.01 -0.06 0.24 115.64 125.08 2wut s THR 53 Ca -0.04 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2wut s THR 53 Cb -0.14 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2wut s THR 53 CO 0.04 0.53 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.71 2wut s GLU 54 N 0.29 2.40 0.16 4.92 2.02 0.25 -1.04 118.70 127.69 2wut s GLU 54 Ca -0.09 -0.64 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 2wut s GLU 54 Cb -0.15 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 2wut s GLU 54 CO 0.05 0.03 0.29 -1.54 0.02 0.00 0.00 175.26 174.11 2wut s SER 55 N 0.71 0.03 0.33 -0.19 1.04 -1.10 -1.18 113.70 113.34 2wut s SER 55 Ca -0.12 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.50 2wut s SER 55 Cb -0.16 0.43 0.55 0.00 0.10 0.00 0.00 66.02 66.95 2wut s SER 55 CO 0.03 -0.88 1.96 0.74 0.98 0.00 0.00 173.24 176.07 2wut h THR 56 N 2.55 1.19 0.08 2.02 2.02 -2.00 -3.25 112.91 115.51 2wut h THR 56 Ca -0.32 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2wut h THR 56 Cb 1.23 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2wut h THR 56 CO 0.49 0.20 -0.04 0.15 0.37 0.00 0.00 175.52 176.68 2wut h PHE 57 N 0.88 -0.10 -3.40 3.16 -0.00 -1.96 -3.47 116.94 112.05 2wut h PHE 57 Ca 0.23 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 58.00 2wut h PHE 57 Cb -0.01 0.03 -0.27 0.00 -0.00 0.00 0.00 35.95 35.70 2wut h PHE 57 CO 0.00 0.35 -0.57 0.15 -0.00 0.00 0.00 178.31 178.24 2wut s LYS 58 N -2.52 0.14 0.01 1.11 -0.14 -1.23 -5.15 119.74 111.97 2wut s LYS 58 Ca -0.10 0.20 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 2wut s LYS 58 Cb -0.01 0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 36.16 2wut s LYS 58 CO 0.38 -0.03 0.01 -0.80 -0.76 0.00 0.00 175.35 174.15 2wut s ASN 59 N 0.18 5.17 0.13 2.83 0.01 -1.26 -2.71 114.94 119.28 2wut s ASN 59 Ca -0.01 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 2wut s ASN 59 Cb -0.02 -1.35 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 2wut s ASN 59 CO -0.00 0.26 -0.03 0.42 -1.51 0.00 0.00 177.10 176.23 2wut s THR 60 N -1.13 0.65 -0.21 1.60 -4.23 -0.21 -4.94 115.64 107.16 2wut s THR 60 Ca 0.21 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 2wut s THR 60 Cb -0.12 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 71.93 2wut s THR 60 CO 0.12 -0.71 0.53 -0.70 -0.54 0.00 0.00 174.62 173.32 2wut s GLU 61 N -3.88 0.56 0.03 3.99 2.12 -1.26 -0.89 118.70 119.37 2wut s GLU 61 Ca 0.17 0.92 0.06 0.00 0.36 0.00 0.00 54.97 56.48 2wut s GLU 61 Cb 0.06 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 2wut s GLU 61 CO -0.01 -0.13 -0.19 0.96 -0.54 0.00 0.00 175.26 175.35 2wut s ILE 62 N 1.19 1.49 -0.03 -3.70 -4.36 -0.69 -4.89 121.20 110.22 2wut s ILE 62 Ca -0.07 -1.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 2wut s ILE 62 Cb -0.06 -1.29 -0.00 0.00 1.25 0.00 0.00 42.46 42.35 2wut s ILE 62 CO -0.12 0.21 -0.14 -0.44 0.24 0.00 0.00 174.94 174.69 2wut s SER 63 N -0.99 1.79 0.17 4.36 0.01 -1.26 -0.93 113.70 116.84 2wut s SER 63 Ca 0.06 -0.28 -0.23 0.00 1.31 0.00 0.00 55.95 56.81 2wut s SER 63 Cb -0.08 -0.38 0.07 0.00 0.21 0.00 0.00 66.02 65.83 2wut s SER 63 CO 0.01 0.14 0.62 0.72 0.41 0.00 0.00 173.24 175.14 2wut s PHE 64 N -0.07 -0.51 -0.04 2.43 -0.12 -0.25 -4.97 117.98 114.45 2wut s PHE 64 Ca -0.00 0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 2wut s PHE 64 Cb -0.09 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2wut s PHE 64 CO 0.01 -0.88 0.02 0.15 -0.05 0.00 0.00 175.22 174.48 2wut s LYS 65 N -3.75 2.95 0.21 1.99 1.02 -1.26 -0.84 119.74 120.07 2wut s LYS 65 Ca 0.02 -0.48 -0.32 0.00 0.02 0.00 0.00 55.97 55.21 2wut s LYS 65 Cb -0.01 -2.78 -0.14 0.00 -0.52 0.00 0.00 37.83 34.37 2wut s LYS 65 CO -0.11 0.67 1.42 1.28 -0.92 0.00 0.00 175.35 177.68 2wut n LEU 66 N 1.70 2.88 0.00 3.17 4.77 -1.26 -2.37 117.00 125.89 2wut n LEU 66 Ca -0.16 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2wut n LEU 66 Cb 0.53 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2wut n LEU 66 CO 0.32 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2wut n GLY 67 N 2.41 1.41 3.35 -0.72 0.00 -0.21 -5.00 105.19 106.44 2wut n GLY 67 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2wut n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wut s GLN 68 N -0.02 3.42 0.32 1.61 -0.21 -1.00 -4.97 119.66 118.81 2wut s GLN 68 Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 54.47 2wut s GLN 68 Cb 0.00 -2.91 -0.10 0.00 1.00 0.00 0.00 33.01 31.00 2wut s GLN 68 CO 0.00 -0.04 1.32 -2.00 -2.12 0.00 0.00 175.29 172.45 2wut s GLU 69 N 1.05 4.35 0.12 2.91 2.12 -1.26 -4.64 118.70 123.34 2wut s GLU 69 Ca 0.01 2.22 0.00 0.00 0.36 0.00 0.00 54.97 57.56 2wut s GLU 69 Cb -0.15 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 2wut s GLU 69 CO -0.00 -0.21 -0.00 -0.59 -0.54 0.00 0.00 175.26 173.91 2wut s PHE 70 N -1.04 0.88 -0.01 5.30 -0.12 -0.00 -4.94 117.98 118.03 2wut s PHE 70 Ca 0.50 -1.08 -0.26 0.00 -0.05 0.00 0.00 56.93 56.04 2wut s PHE 70 Cb -0.40 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 2wut s PHE 70 CO 0.52 -0.33 0.82 -1.21 -0.05 0.00 0.00 175.22 174.96 2wut s GLU 71 N -3.94 4.50 0.03 1.99 0.41 -1.26 -1.02 118.70 119.41 2wut s GLU 71 Ca 0.18 1.12 0.06 0.00 -0.41 0.00 0.00 54.97 55.91 2wut s GLU 71 Cb 0.07 -3.43 -0.02 0.00 -1.78 0.00 0.00 34.13 28.97 2wut s GLU 71 CO -0.02 0.08 -0.16 -2.00 -0.49 0.00 0.00 175.26 172.67 2wut s GLU 72 N 0.65 1.14 -0.22 1.61 2.12 -0.37 -4.95 118.70 118.67 2wut s GLU 72 Ca 0.43 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 2wut s GLU 72 Cb -0.20 -1.17 0.01 0.00 0.26 0.00 0.00 34.13 33.03 2wut s GLU 72 CO 0.23 0.30 -0.09 0.99 -0.54 0.00 0.00 175.26 176.15 2wut s THR 73 N -0.74 2.87 0.77 -1.70 2.01 -1.26 -0.87 115.64 116.71 2wut s THR 73 Ca 0.04 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2wut s THR 73 Cb -0.08 -2.33 0.10 0.00 0.01 0.00 0.00 72.50 70.20 2wut s THR 73 CO 0.01 0.38 1.09 0.42 -0.69 0.00 0.00 174.62 175.83 2wut s THR 74 N 1.38 2.18 0.47 -0.82 -4.23 -0.49 -4.78 115.64 109.35 2wut s THR 74 Ca 0.04 -0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2wut s THR 74 Cb -0.15 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 70.99 2wut s THR 74 CO -0.06 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.07 2wut h ALA 75 N -0.84 1.80 -0.46 3.99 0.00 -1.92 -0.46 119.26 121.38 2wut h ALA 75 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2wut h ALA 75 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wut h ALA 75 CO 0.52 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 2wut n ASP 76 N -4.39 3.55 -0.98 0.00 5.75 -1.26 -4.94 116.55 114.29 2wut n ASP 76 Ca -0.03 -2.34 -0.10 0.00 -0.01 0.00 0.00 54.79 52.32 2wut n ASP 76 Cb 0.19 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 2wut n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2wut n ASN 77 N 0.71 -3.76 -4.78 -1.12 5.15 -0.18 -5.02 115.26 106.26 2wut n ASN 77 Ca 0.18 0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 53.90 2wut n ASN 77 Cb 0.68 -2.62 -0.04 0.00 -0.53 0.00 0.00 39.78 37.28 2wut n ASN 77 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wut s ARG 78 N -3.74 4.19 -0.41 1.20 0.52 -1.26 -4.80 118.95 114.64 2wut s ARG 78 Ca 0.00 1.55 -0.10 0.00 -0.52 0.00 0.00 55.73 56.66 2wut s ARG 78 Cb 0.00 -2.59 0.07 0.00 0.52 0.00 0.00 34.95 32.95 2wut s ARG 78 CO 0.00 -0.13 0.25 0.15 0.02 0.00 0.00 175.30 175.59 2wut s LYS 79 N -2.42 2.66 0.32 3.54 -0.14 -1.26 -1.40 119.74 121.05 2wut s LYS 79 Ca 0.57 -1.37 0.10 0.00 -1.36 0.00 0.00 55.97 53.91 2wut s LYS 79 Cb -0.23 -3.77 -0.05 0.00 -1.68 0.00 0.00 37.83 32.09 2wut s LYS 79 CO 0.29 -0.89 -0.05 0.95 -0.76 0.00 0.00 175.35 174.88 2wut s THR 80 N 1.46 2.60 -0.20 2.17 -4.23 -0.05 -4.77 115.64 112.61 2wut s THR 80 Ca 0.03 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 58.38 2wut s THR 80 Cb -0.22 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2wut s THR 80 CO 0.03 -0.26 0.02 -0.54 -0.54 0.00 0.00 174.62 173.34 2wut s LYS 81 N -3.65 3.69 0.16 3.99 1.02 -0.09 -1.24 119.74 123.63 2wut s LYS 81 Ca 0.33 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.90 2wut s LYS 81 Cb -0.01 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2wut s LYS 81 CO 0.18 0.05 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.40 2wut s SER 82 N 0.93 2.20 -0.04 2.83 0.01 -0.18 -1.05 113.70 118.40 2wut s SER 82 Ca 0.02 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 2wut s SER 82 Cb -0.14 -0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.03 2wut s SER 82 CO 0.02 -0.18 0.08 -0.63 0.41 0.00 0.00 173.24 172.94 2wut s ILE 83 N -2.61 -0.04 -0.19 1.44 1.01 -0.71 -0.82 121.20 119.28 2wut s ILE 83 Ca 0.15 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 2wut s ILE 83 Cb -0.02 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 2wut s ILE 83 CO 0.04 0.05 -0.01 -0.69 0.00 0.00 0.00 174.94 174.34 2wut s VAL 84 N 0.77 3.98 0.40 2.92 1.01 -1.26 -1.36 120.40 126.86 2wut s VAL 84 Ca -0.06 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2wut s VAL 84 Cb -0.08 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 2wut s VAL 84 CO -0.03 0.45 0.00 0.42 0.00 0.00 0.00 175.10 175.94 2wut s THR 85 N 0.79 2.02 -0.16 3.92 -4.23 0.40 -1.04 115.64 117.35 2wut s THR 85 Ca 0.00 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2wut s THR 85 Cb -0.14 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2wut s THR 85 CO 0.02 -0.02 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.68 2wut s LEU 86 N -3.70 1.94 -0.14 4.79 2.96 -1.26 -0.44 118.68 122.83 2wut s LEU 86 Ca 0.35 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2wut s LEU 86 Cb 0.09 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.49 2wut s LEU 86 CO 0.18 -0.01 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.10 2wut s GLN 87 N 1.26 0.90 -1.51 1.98 -0.21 -0.67 -4.86 119.66 116.55 2wut s GLN 87 Ca 0.02 -0.26 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 2wut s GLN 87 Cb -0.13 -1.68 0.06 0.00 1.00 0.00 0.00 33.01 32.25 2wut s GLN 87 CO -0.10 -0.45 0.58 0.54 -2.12 0.00 0.00 175.29 173.74 2wut n ARG 88 N 5.03 -3.48 0.00 2.91 1.74 -1.26 -0.99 116.66 120.60 2wut n ARG 88 Ca -0.09 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2wut n ARG 88 Cb 0.48 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.13 2wut n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wut n GLY 89 N -1.78 2.61 3.77 -0.13 0.00 -1.26 -5.01 105.19 103.39 2wut n GLY 89 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2wut n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wut s SER 90 N -2.12 7.09 -0.46 1.61 0.15 -0.16 -4.75 113.70 115.05 2wut s SER 90 Ca 0.00 1.29 -0.18 0.00 0.70 0.00 0.00 55.95 57.76 2wut s SER 90 Cb 0.00 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2wut s SER 90 CO 0.00 0.14 0.50 -0.22 1.20 0.00 0.00 173.24 174.86 2wut s LEU 91 N -0.49 5.03 -0.28 3.45 2.96 0.61 -1.68 118.68 128.28 2wut s LEU 91 Ca 0.32 -0.87 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2wut s LEU 91 Cb -0.19 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2wut s LEU 91 CO 0.20 -0.71 0.05 0.20 -1.32 0.00 0.00 176.35 174.76 2wut s ASN 92 N 2.27 4.94 -0.21 3.68 0.01 0.41 -0.90 114.94 125.15 2wut s ASN 92 Ca 0.12 -0.65 -0.07 0.00 -0.71 0.00 0.00 52.86 51.55 2wut s ASN 92 Cb -0.19 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2wut s ASN 92 CO 0.12 -0.15 0.05 -1.58 -1.51 0.00 0.00 177.10 174.03 2wut s GLN 93 N 1.48 3.75 -0.08 -0.60 0.74 0.13 -0.45 119.66 124.63 2wut s GLN 93 Ca 0.03 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.01 2wut s GLN 93 Cb -0.17 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2wut s GLN 93 CO 0.01 0.02 -0.10 0.54 -0.55 0.00 0.00 175.29 175.21 2wut s VAL 94 N 1.03 3.36 -0.09 1.34 0.11 -0.46 -0.33 120.40 125.35 2wut s VAL 94 Ca 0.03 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 2wut s VAL 94 Cb -0.14 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 2wut s VAL 94 CO 0.03 0.57 -0.23 -1.10 -3.33 0.00 0.00 175.10 171.04 2wut s GLN 95 N -0.45 2.87 -0.07 1.54 -0.21 -0.29 -1.74 119.66 121.32 2wut s GLN 95 Ca 0.06 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.65 2wut s GLN 95 Cb -0.12 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.71 2wut s GLN 95 CO 0.02 0.17 -0.17 1.03 -2.12 0.00 0.00 175.29 174.21 2wut s ARG 96 N 0.37 2.13 -0.21 2.91 0.52 -0.22 -1.68 118.95 122.76 2wut s ARG 96 Ca -0.18 -0.62 -0.27 0.00 -0.52 0.00 0.00 55.73 54.15 2wut s ARG 96 Cb -0.18 -1.72 0.08 0.00 0.52 0.00 0.00 34.95 33.65 2wut s ARG 96 CO 0.08 0.15 0.76 1.67 0.02 0.00 0.00 175.30 177.98 2wut s TRP 97 N 0.36 -0.70 -1.37 -0.53 -2.14 -0.89 -0.91 118.94 112.77 2wut s TRP 97 Ca -0.12 1.57 -0.11 0.00 2.66 0.00 0.00 56.10 60.10 2wut s TRP 97 Cb -0.15 0.33 0.09 0.00 -3.10 0.00 0.00 33.47 30.63 2wut s TRP 97 CO 0.05 -0.42 0.58 -3.47 -2.66 0.00 0.00 176.95 171.03 2wut n ASP 98 N 2.09 -3.78 0.00 -2.66 2.03 -1.26 0.70 116.55 113.66 2wut n ASP 98 Ca -0.15 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2wut n ASP 98 Cb 0.56 -3.12 0.00 0.00 -0.72 0.00 0.00 41.12 37.84 2wut n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wut n GLY 99 N -1.25 0.28 3.88 0.27 0.00 -1.26 -5.00 105.19 102.11 2wut n GLY 99 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2wut n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wut s LYS 100 N -0.91 2.59 -0.13 1.61 1.02 0.22 -5.14 119.74 118.99 2wut s LYS 100 Ca 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.36 2wut s LYS 100 Cb 0.00 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2wut s LYS 100 CO 0.00 -0.16 0.42 -2.00 -0.92 0.00 0.00 175.35 172.69 2wut s GLU 101 N -4.13 0.54 0.03 1.68 2.12 -1.26 -2.09 118.70 115.58 2wut s GLU 101 Ca 0.48 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.25 2wut s GLU 101 Cb -0.04 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 2wut s GLU 101 CO 0.28 -0.09 -0.00 -0.08 -0.54 0.00 0.00 175.26 174.83 2wut s THR 102 N -0.06 0.13 0.02 -1.70 -1.32 -0.68 -4.63 115.64 107.40 2wut s THR 102 Ca -0.02 -1.09 0.07 0.00 -1.21 0.00 0.00 61.69 59.44 2wut s THR 102 Cb -0.03 -0.58 -0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2wut s THR 102 CO 0.01 -0.60 -0.22 0.42 -2.21 0.00 0.00 174.62 172.03 2wut s THR 103 N -2.05 1.76 -0.22 5.08 -4.23 -0.75 -1.14 115.64 114.10 2wut s THR 103 Ca -0.10 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2wut s THR 103 Cb -0.05 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.35 2wut s THR 103 CO -0.03 0.35 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.71 2wut s ILE 104 N -0.67 1.52 -0.22 2.99 1.01 0.55 -1.03 121.20 125.35 2wut s ILE 104 Ca 0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 2wut s ILE 104 Cb -0.09 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2wut s ILE 104 CO 0.01 -0.02 0.05 -0.54 0.00 0.00 0.00 174.94 174.43 2wut s LYS 105 N 1.42 3.72 -0.16 2.79 1.02 -0.28 -0.70 119.74 127.54 2wut s LYS 105 Ca -0.04 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 2wut s LYS 105 Cb -0.18 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2wut s LYS 105 CO -0.07 -0.02 -0.12 1.03 -0.92 0.00 0.00 175.35 175.25 2wut s ARG 106 N 1.13 3.30 0.04 1.68 0.52 -0.08 -0.70 118.95 124.85 2wut s ARG 106 Ca 0.04 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2wut s ARG 106 Cb -0.14 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2wut s ARG 106 CO 0.03 0.02 -0.04 -1.59 0.02 0.00 0.00 175.30 173.74 2wut s LYS 107 N 0.84 0.50 -0.09 3.54 -2.85 -0.57 -0.29 119.74 120.83 2wut s LYS 107 Ca -0.04 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 53.79 2wut s LYS 107 Cb -0.15 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.68 2wut s LYS 107 CO 0.00 -0.07 0.49 -0.51 0.10 0.00 0.00 175.35 175.36 2wut s LEU 108 N -2.26 4.31 -0.18 2.77 1.43 -1.26 -0.51 118.68 122.98 2wut s LEU 108 Ca -0.03 0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2wut s LEU 108 Cb -0.01 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.55 2wut s LEU 108 CO -0.05 0.05 0.04 -0.69 0.23 0.00 0.00 176.35 175.92 2wut s VAL 109 N 0.35 0.45 -1.63 -1.59 1.01 0.26 -4.84 120.40 114.40 2wut s VAL 109 Ca 0.27 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2wut s VAL 109 Cb -0.16 -0.96 0.12 0.00 0.00 0.00 0.00 36.38 35.39 2wut s VAL 109 CO 0.12 -0.19 0.70 0.59 0.00 0.00 0.00 175.10 176.31 2wut n ASN 110 N 5.08 -2.62 0.00 3.32 4.13 -1.26 -1.02 115.26 122.89 2wut n ASN 110 Ca -0.09 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.16 2wut n ASN 110 Cb 0.47 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.89 2wut n ASN 110 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wut n GLY 111 N -1.57 2.32 3.91 7.41 0.00 -1.26 -5.02 105.19 110.98 2wut n GLY 111 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2wut n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wut s LYS 112 N -0.31 3.61 -0.20 1.61 -0.14 -0.19 -4.49 119.74 119.63 2wut s LYS 112 Ca 0.00 0.06 -0.06 0.00 -1.36 0.00 0.00 55.97 54.62 2wut s LYS 112 Cb 0.00 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 2wut s LYS 112 CO 0.00 0.07 0.02 1.41 -0.76 0.00 0.00 175.35 176.08 2wut s MET 113 N -4.01 3.70 -0.18 1.68 -2.45 -0.53 -0.58 119.30 116.93 2wut s MET 113 Ca 0.45 -0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 54.39 2wut s MET 113 Cb -0.10 -3.12 -0.01 0.00 1.25 0.00 0.00 34.83 32.84 2wut s MET 113 CO 0.35 0.06 -0.08 0.08 1.05 0.00 0.00 175.02 176.47 2wut s VAL 114 N 0.90 3.26 -0.25 10.11 1.01 0.33 -0.45 120.40 135.32 2wut s VAL 114 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2wut s VAL 114 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2wut s VAL 114 CO 0.02 0.47 0.05 0.00 0.00 0.00 0.00 175.10 175.64 2wut s ALA 115 N 0.97 3.08 -0.28 5.51 0.00 0.77 -1.51 121.76 130.30 2wut s ALA 115 Ca -0.01 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 2wut s ALA 115 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2wut s ALA 115 CO -0.00 -0.56 0.15 -2.00 0.00 0.00 0.00 175.76 173.35 2wut s GLU 116 N 1.57 3.71 -0.21 0.00 2.12 0.13 -0.69 118.70 125.32 2wut s GLU 116 Ca 0.06 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 2wut s GLU 116 Cb -0.15 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 2wut s GLU 116 CO 0.02 -0.25 -0.04 0.00 -0.54 0.00 0.00 175.26 174.46 2wut s LYS 118 N 1.35 2.08 -0.19 0.00 2.20 -0.20 -0.25 119.74 124.74 2wut s LYS 118 Ca 0.04 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2wut s LYS 118 Cb -0.14 -1.75 0.09 0.00 -1.51 0.00 0.00 37.83 34.52 2wut s LYS 118 CO -0.02 0.23 0.33 1.41 -0.36 0.00 0.00 175.35 176.95 2wut s MET 119 N 0.12 0.26 -1.36 4.03 1.75 -0.47 -1.80 119.30 121.82 2wut s MET 119 Ca -0.07 0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 55.08 2wut s MET 119 Cb -0.13 -0.17 -0.00 0.00 2.84 0.00 0.00 34.83 37.37 2wut s MET 119 CO 0.04 -0.41 0.51 1.63 -0.65 0.00 0.00 175.02 176.14 2wut n LYS 120 N 5.36 -3.58 0.00 4.11 5.02 -1.26 -1.17 118.16 126.64 2wut n LYS 120 Ca -0.06 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2wut n LYS 120 Cb 0.50 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.84 2wut n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wut n GLY 121 N -1.86 2.98 3.71 0.72 0.00 -1.26 -4.99 105.19 104.49 2wut n GLY 121 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2wut n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wut s VAL 122 N -2.16 4.95 -0.12 1.61 1.01 -0.32 -5.05 120.40 120.32 2wut s VAL 122 Ca 0.00 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.73 2wut s VAL 122 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2wut s VAL 122 CO 0.00 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 2wut s VAL 123 N 1.10 1.56 -0.05 2.92 1.01 -1.26 -1.37 120.40 124.31 2wut s VAL 123 Ca 0.44 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2wut s VAL 123 Cb -0.19 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2wut s VAL 123 CO 0.21 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.60 2wut s THR 125 N -0.67 1.94 -0.09 0.00 2.01 -0.59 0.09 115.64 118.33 2wut s THR 125 Ca 0.10 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.23 2wut s THR 125 Cb -0.11 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.68 2wut s THR 125 CO 0.00 0.53 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.13 2wut s ARG 126 N 0.92 2.60 -0.11 4.92 0.52 0.13 -0.80 118.95 127.12 2wut s ARG 126 Ca -0.05 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2wut s ARG 126 Cb -0.15 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 2wut s ARG 126 CO -0.03 0.10 -0.07 0.42 0.02 0.00 0.00 175.30 175.74 2wut s ILE 127 N 0.53 3.65 0.04 1.52 1.01 -0.00 -0.16 121.20 127.78 2wut s ILE 127 Ca -0.16 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.11 2wut s ILE 127 Cb -0.17 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 2wut s ILE 127 CO 0.06 0.55 -0.25 -0.31 0.00 0.00 0.00 174.94 174.98 2wut s TYR 128 N -0.20 2.23 -0.00 3.97 1.51 0.41 -0.05 117.35 125.21 2wut s TYR 128 Ca 0.03 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2wut s TYR 128 Cb -0.13 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2wut s TYR 128 CO 0.03 0.10 -0.03 -1.21 -1.11 0.00 0.00 175.55 173.33 2wut s GLU 129 N -1.14 2.69 0.15 -0.62 2.02 -0.31 -1.46 118.70 120.04 2wut s GLU 129 Ca 0.11 -0.65 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 2wut s GLU 129 Cb -0.10 -2.60 -0.08 0.00 0.10 0.00 0.00 34.13 31.45 2wut s GLU 129 CO 0.02 0.62 1.34 0.21 0.02 0.00 0.00 175.26 177.47 2wut s LYS 130 N -1.48 4.36 0.00 1.61 2.47 -1.26 -0.82 119.74 124.62 2wut s LYS 130 Ca 0.18 2.05 0.26 0.00 -1.56 0.00 0.00 55.97 56.91 2wut s LYS 130 Cb -0.11 -3.23 0.67 0.00 -1.46 0.00 0.00 37.83 33.70 2wut s LYS 130 CO 0.09 -0.34 1.53 1.33 0.16 0.00 0.00 175.35 178.12