#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwn s ILE 2 N 0.00 4.82 -0.20 0.00 -5.25 -1.26 -5.00 121.20 114.31 2jwn s ILE 2 Ca 0.00 1.22 -0.29 0.00 -0.99 0.00 0.00 60.65 60.59 2jwn s ILE 2 Cb 0.00 -3.91 -0.04 0.00 2.95 0.00 0.00 42.46 41.46 2jwn s ILE 2 CO 0.00 0.49 1.87 0.00 -1.79 0.00 0.00 174.94 175.51 2jwn s ALA 3 N -0.68 3.10 -0.27 2.27 0.00 -1.26 -4.89 121.76 120.03 2jwn s ALA 3 Ca 0.30 0.65 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 2jwn s ALA 3 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 18.96 2jwn s ALA 3 CO 0.18 -2.24 2.03 -2.14 0.00 0.00 0.00 175.76 173.58 2jwn s PRO 4 N 5.27 3.22 -0.12 0.00 0.02 -1.26 -4.84 135.00 137.29 2jwn s PRO 4 Ca 0.84 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 2jwn s PRO 4 Cb -0.29 -4.29 -0.09 0.00 0.02 0.00 0.00 34.50 29.84 2jwn s PRO 4 CO 0.34 -2.00 0.26 0.00 -0.33 0.00 0.00 177.00 175.27 2jwn n MET 6 N -4.71 0.00 0.00 0.00 2.81 -1.26 -4.83 117.12 109.13 2jwn n MET 6 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2jwn n MET 6 Cb 0.19 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 2jwn n MET 6 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2jwn n GLN 7 N 0.00 0.00 -2.39 0.03 6.02 -1.26 -4.90 117.38 114.88 2jwn n GLN 7 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2jwn n GLN 7 Cb 0.00 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 2jwn n GLN 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2jwn s THR 8 N -0.93 3.76 -0.62 5.09 -4.23 -1.26 -4.68 115.64 112.77 2jwn s THR 8 Ca 0.00 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 2jwn s THR 8 Cb 0.00 -4.71 0.08 0.00 1.34 0.00 0.00 72.50 69.21 2jwn s THR 8 CO 0.00 -1.61 0.82 1.07 -0.54 0.00 0.00 174.62 174.35 2jwn n THR 9 N 7.18 0.31 0.00 3.99 5.66 -1.26 -5.02 114.28 125.14 2jwn n THR 9 Ca 0.34 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2jwn n THR 9 Cb 0.50 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 2jwn n THR 9 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2jwn n HIS 10 N 0.22 0.00 -3.32 1.09 8.25 -1.26 -4.37 115.22 115.83 2jwn n HIS 10 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 2jwn n HIS 10 Cb 0.20 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 2jwn n HIS 10 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jwn s SER 11 N 0.00 -0.88 0.10 0.41 0.15 -1.26 -5.17 113.70 107.05 2jwn s SER 11 Ca 0.00 0.85 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 2jwn s SER 11 Cb 0.00 1.86 0.02 0.00 -1.71 0.00 0.00 66.02 66.19 2jwn s SER 11 CO 0.00 -0.17 0.32 -1.59 1.20 0.00 0.00 173.24 173.00 2jwn s LYS 12 N 2.77 0.96 -0.35 5.44 -2.85 -1.26 -5.13 119.74 119.31 2jwn s LYS 12 Ca 0.04 -0.75 0.07 0.00 -1.00 0.00 0.00 55.97 54.33 2jwn s LYS 12 Cb -0.11 0.41 0.19 0.00 -2.06 0.00 0.00 37.83 36.26 2jwn s LYS 12 CO -0.17 -0.34 0.62 0.00 0.10 0.00 0.00 175.35 175.55 2jwn s MET 13 N -3.60 0.69 -0.30 1.78 0.23 -1.26 -5.02 119.30 111.81 2jwn s MET 13 Ca 0.02 0.11 -0.04 0.00 -1.03 0.00 0.00 55.69 54.76 2jwn s MET 13 Cb 0.02 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 2jwn s MET 13 CO -0.10 -1.11 0.14 2.41 -2.03 0.00 0.00 175.02 174.34 2jwn n THR 14 N 4.87-10.73 -2.53 3.16 -1.04 -1.26 -4.99 114.28 101.76 2jwn n THR 14 Ca 0.08 1.42 -0.32 0.00 -2.04 0.00 0.00 64.05 63.19 2jwn n THR 14 Cb 0.56 -6.71 -0.05 0.00 -1.82 0.00 0.00 70.33 62.32 2jwn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn s ALA 15 N -1.72 3.06 0.00 2.41 0.00 -1.26 -4.90 121.76 119.36 2jwn s ALA 15 Ca 0.06 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2jwn s ALA 15 Cb -0.02 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2jwn s ALA 15 CO 0.69 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.75 2jwn n GLY 16 N -1.28 -1.32 3.43 0.00 0.00 -1.26 -4.86 105.19 99.90 2jwn n GLY 16 Ca 0.07 0.72 -0.15 0.00 0.00 0.00 0.00 46.02 46.66 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn s ALA 17 N -1.00 -1.40 0.00 4.61 0.00 -1.26 -4.92 121.76 117.78 2jwn s ALA 17 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2jwn s ALA 17 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2jwn s ALA 17 CO 0.00 -0.31 0.00 0.66 0.00 0.00 0.00 175.76 176.11 2jwn n TYR 18 N 1.65 0.00 -2.66 0.00 4.01 -1.26 -4.96 117.16 113.95 2jwn n TYR 18 Ca -0.18 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.24 2jwn n TYR 18 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 2jwn n TYR 18 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jwn s THR 19 N 1.10 4.48 -0.21 -0.72 -1.32 -1.26 -4.97 115.64 112.74 2jwn s THR 19 Ca 0.00 1.30 0.02 0.00 -1.21 0.00 0.00 61.69 61.80 2jwn s THR 19 Cb 0.00 -3.66 -0.14 0.00 -1.51 0.00 0.00 72.50 67.19 2jwn s THR 19 CO 0.00 -0.48 -0.19 -1.84 -2.21 0.00 0.00 174.62 169.90 2jwn n GLU 20 N -1.06 0.53 0.00 7.08 0.00 -1.26 -5.12 120.64 120.81 2jwn n GLU 20 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2jwn n GLU 20 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.56 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jwn n GLY 21 N 2.49 -0.53 0.37 -1.84 0.00 -1.26 -4.99 105.19 99.43 2jwn n GLY 21 Ca -0.37 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 45.69 2jwn n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jwn h PRO 22 N 0.00 0.61 -6.57 1.61 0.11 -2.06 -3.44 132.00 122.25 2jwn h PRO 22 Ca 0.00 -0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.60 2jwn h PRO 22 Cb 0.00 -0.14 0.24 0.00 0.11 0.00 0.00 31.00 31.21 2jwn h PRO 22 CO 0.00 0.40 -1.26 -2.30 -0.21 0.00 0.00 178.00 174.63 2jwn n PRO 23 N -4.71 -1.09 -2.30 1.05 -0.02 -1.26 -4.92 135.00 121.74 2jwn n PRO 23 Ca 0.23 -0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.01 2jwn n PRO 23 Cb 0.66 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 2jwn n PRO 23 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jwn s GLN 24 N -3.21 4.48 -0.57 -0.52 -1.52 -1.26 -4.91 119.66 112.15 2jwn s GLN 24 Ca 0.53 2.00 -0.28 0.00 -1.95 0.00 0.00 55.36 55.65 2jwn s GLN 24 Cb -0.10 -3.16 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 2jwn s GLN 24 CO 0.67 -0.04 1.24 -1.25 -0.25 0.00 0.00 175.29 175.66 2jwn s PRO 25 N -1.20 3.48 0.58 2.91 0.04 -1.26 -4.96 135.00 134.59 2jwn s PRO 25 Ca 0.49 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 2jwn s PRO 25 Cb -0.35 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 2jwn s PRO 25 CO 0.44 -1.72 1.07 -0.48 0.04 0.00 0.00 177.00 176.35 2jwn s LEU 26 N 5.17 3.56 0.76 -3.56 -0.00 -1.26 -5.01 118.68 118.33 2jwn s LEU 26 Ca 0.45 1.91 -0.11 0.00 -0.00 0.00 0.00 54.13 56.38 2jwn s LEU 26 Cb -0.08 -4.55 0.05 0.00 -0.00 0.00 0.00 46.19 41.61 2jwn s LEU 26 CO 0.26 -1.19 1.08 -0.55 -0.00 0.00 0.00 176.35 175.95 2jwn s SER 27 N -2.51 4.74 0.27 1.48 0.15 -1.26 -4.83 113.70 111.73 2jwn s SER 27 Ca 0.66 1.69 0.01 0.00 0.70 0.00 0.00 55.95 59.01 2jwn s SER 27 Cb -0.18 -2.45 0.63 0.00 -1.71 0.00 0.00 66.02 62.31 2jwn s SER 27 CO 0.34 -1.87 1.69 0.00 1.20 0.00 0.00 173.24 174.61 2jwn h ALA 28 N -1.01 1.26 -0.23 5.45 0.00 -2.00 -0.60 119.26 122.13 2jwn h ALA 28 Ca -0.44 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2jwn h ALA 28 Cb 1.23 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2jwn h ALA 28 CO 0.54 -0.33 -0.25 0.93 0.00 0.00 0.00 179.25 180.14 2jwn h GLU 29 N 0.36 0.44 -0.49 0.00 5.08 -1.97 -1.13 114.58 116.87 2jwn h GLU 29 Ca 0.51 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2jwn h GLU 29 Cb 0.93 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2jwn h GLU 29 CO -0.52 0.66 0.32 0.93 -1.00 0.00 0.00 179.01 179.41 2jwn h GLU 30 N 0.39 0.65 -0.61 2.33 3.07 -1.49 -1.12 114.58 117.80 2jwn h GLU 30 Ca 0.06 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 2jwn h GLU 30 Cb 0.66 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 2jwn h GLU 30 CO 0.05 0.43 0.01 0.87 -1.40 0.00 0.00 179.01 178.97 2jwn h LYS 31 N 0.67 1.07 -0.29 2.33 1.57 -0.49 0.19 116.57 121.62 2jwn h LYS 31 Ca 0.18 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2jwn h LYS 31 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2jwn h LYS 31 CO -0.04 1.04 0.06 0.87 -0.57 0.00 0.00 179.45 180.81 2jwn h LYS 32 N 0.97 0.48 -0.25 3.15 6.56 -0.89 -2.84 116.57 123.76 2jwn h LYS 32 Ca 0.17 -0.12 -0.17 0.00 -1.06 0.00 0.00 60.65 59.47 2jwn h LYS 32 Cb 0.55 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2jwn h LYS 32 CO 0.03 0.57 -0.51 0.93 -2.06 0.00 0.00 179.45 178.41 2jwn h GLU 33 N 0.31 0.79 -0.30 3.15 5.08 -0.86 -1.26 114.58 121.48 2jwn h GLU 33 Ca 0.09 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2jwn h GLU 33 Cb 0.32 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jwn h GLU 33 CO 0.00 1.14 0.03 -0.84 -1.00 0.00 0.00 179.01 178.34 2jwn h ILE 34 N 0.54 1.17 -0.40 3.13 3.07 -0.71 0.07 117.51 124.37 2jwn h ILE 34 Ca 0.01 -0.63 -0.13 0.00 1.55 0.00 0.00 64.86 65.66 2jwn h ILE 34 Cb 1.12 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 2jwn h ILE 34 CO 0.11 0.22 -0.27 -0.78 -1.05 0.00 0.00 178.15 176.38 2jwn h ASP 35 N 0.44 0.87 -0.50 2.16 3.58 -1.35 -3.04 116.42 118.58 2jwn h ASP 35 Ca 0.10 -0.34 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 2jwn h ASP 35 Cb 0.24 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2jwn h ASP 35 CO 0.00 1.09 0.02 0.11 -2.88 0.00 0.00 179.24 177.58 2jwn h LYS 36 N 0.72 0.88 -0.51 0.28 1.57 0.11 -3.30 116.57 116.32 2jwn h LYS 36 Ca 0.09 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2jwn h LYS 36 Cb 0.82 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2jwn h LYS 36 CO 0.07 0.90 0.00 2.89 -0.57 0.00 0.00 179.45 182.74 2jwn n ARG 37 N -4.33 4.29 -3.97 3.15 1.85 -0.15 -4.91 116.66 112.60 2jwn n ARG 37 Ca 0.01 -3.05 -0.23 0.00 -1.00 0.00 0.00 57.85 53.59 2jwn n ARG 37 Cb 0.31 -2.11 -0.06 0.00 -1.05 0.00 0.00 32.46 29.55 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2jwn s SER 38 N -1.07 4.77 0.13 2.89 1.04 -1.15 -1.09 113.70 119.22 2jwn s SER 38 Ca 0.51 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 2jwn s SER 38 Cb 0.39 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2jwn s SER 38 CO 0.15 -0.43 0.06 0.68 0.98 0.00 0.00 173.24 174.68 2jwn s VAL 39 N -2.46 0.11 -0.17 5.02 -7.23 -0.25 -1.26 120.40 114.16 2jwn s VAL 39 Ca 0.41 -1.88 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2jwn s VAL 39 Cb -0.02 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 2jwn s VAL 39 CO 0.24 -0.50 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.03 2jwn s TYR 40 N -4.04 2.99 -0.27 2.82 5.04 0.17 -1.83 117.35 122.24 2jwn s TYR 40 Ca 0.23 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2jwn s TYR 40 Cb 0.07 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.42 2jwn s TYR 40 CO 0.01 -0.19 -0.04 0.08 -1.34 0.00 0.00 175.55 174.07 2jwn s VAL 41 N 0.70 2.84 0.38 3.14 1.01 0.23 -1.85 120.40 126.84 2jwn s VAL 41 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2jwn s VAL 41 Cb -0.14 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2jwn s VAL 41 CO 0.02 0.02 0.02 0.61 0.00 0.00 0.00 175.10 175.77 2jwn n GLY 42 N 4.62 3.67 3.63 4.51 0.00 0.35 -0.50 105.19 121.47 2jwn n GLY 42 Ca -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.58 2jwn n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jwn n ASN 43 N -1.30 0.00 -4.57 1.61 5.15 -1.26 -2.73 115.26 112.17 2jwn n ASN 43 Ca -0.14 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.42 2jwn n ASN 43 Cb 0.49 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 2jwn n ASN 43 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jwn s VAL 44 N -2.44 3.75 -1.19 3.44 0.11 -1.24 -4.91 120.40 117.92 2jwn s VAL 44 Ca 0.00 0.59 -0.19 0.00 -2.93 0.00 0.00 61.98 59.44 2jwn s VAL 44 Cb 0.00 -4.52 0.07 0.00 -1.53 0.00 0.00 36.38 30.41 2jwn s VAL 44 CO 0.00 -1.31 1.60 -1.81 -3.33 0.00 0.00 175.10 170.25 2jwn s ASP 45 N 4.52 6.74 0.00 3.54 1.01 -1.26 -3.20 116.67 128.01 2jwn s ASP 45 Ca 0.49 -2.16 0.00 0.00 0.71 0.00 0.00 52.55 51.59 2jwn s ASP 45 Cb -0.10 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2jwn s ASP 45 CO 0.22 -1.24 0.00 0.00 0.21 0.00 0.00 175.17 174.36 2jwn n TYR 46 N 8.28 0.00 0.21 4.23 9.36 -1.26 -4.65 117.16 133.33 2jwn n TYR 46 Ca 0.42 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.74 2jwn n TYR 46 Cb 0.47 -0.28 0.18 0.00 -0.63 0.00 0.00 39.34 39.08 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jwn n GLY 47 N -1.34 1.61 3.85 2.98 0.00 -1.26 -4.94 105.19 106.09 2jwn n GLY 47 Ca 0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2jwn n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwn s SER 48 N -1.27 6.82 0.27 1.61 0.15 -1.26 -5.07 113.70 114.95 2jwn s SER 48 Ca 0.31 1.20 0.02 0.00 0.70 0.00 0.00 55.95 58.19 2jwn s SER 48 Cb 0.18 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2jwn s SER 48 CO 0.25 -0.06 0.43 0.42 1.20 0.00 0.00 173.24 175.48 2jwn s THR 49 N -1.74 5.20 0.06 6.45 -4.23 -1.26 -5.00 115.64 115.11 2jwn s THR 49 Ca 0.47 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 2jwn s THR 49 Cb -0.13 -3.84 -0.13 0.00 1.34 0.00 0.00 72.50 69.75 2jwn s THR 49 CO 0.19 -0.38 1.53 0.00 -0.54 0.00 0.00 174.62 175.42 2jwn h ALA 50 N 1.19 0.16 -0.98 3.99 0.00 -1.99 -1.56 119.26 120.07 2jwn h ALA 50 Ca -0.50 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.30 2jwn h ALA 50 Cb 1.22 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2jwn h ALA 50 CO 0.63 -0.19 0.64 0.37 0.00 0.00 0.00 179.25 180.69 2jwn h GLN 51 N -0.03 1.16 -0.31 0.00 -0.00 -1.98 0.18 115.11 114.14 2jwn h GLN 51 Ca 0.04 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.46 2jwn h GLN 51 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 2jwn h GLN 51 CO 0.00 0.77 -0.42 0.22 0.00 0.00 0.00 178.83 179.40 2jwn h ASP 52 N 1.20 0.81 -0.13 -0.69 3.58 -1.94 -1.42 116.42 117.84 2jwn h ASP 52 Ca 0.41 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2jwn h ASP 52 Cb 0.08 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2jwn h ASP 52 CO -0.15 1.12 -0.08 -0.07 -2.88 0.00 0.00 179.24 177.19 2jwn h LEU 53 N 0.62 0.29 -0.16 2.28 3.38 -0.73 -2.50 115.31 118.49 2jwn h LEU 53 Ca 0.05 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jwn h LEU 53 Cb 0.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2jwn h LEU 53 CO 0.09 0.66 0.08 -0.08 0.09 0.00 0.00 178.44 179.28 2jwn h GLU 54 N -0.08 0.23 -0.67 1.13 4.22 -0.64 -1.53 114.58 117.23 2jwn h GLU 54 Ca 0.03 -0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.50 2jwn h GLU 54 Cb 0.56 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2jwn h GLU 54 CO 0.02 0.25 0.37 0.00 -2.18 0.00 0.00 179.01 177.47 2jwn h ALA 55 N 0.97 0.90 -0.60 2.92 0.00 -1.29 0.42 119.26 122.58 2jwn h ALA 55 Ca 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jwn h ALA 55 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jwn h ALA 55 CO -0.01 0.05 0.10 1.25 0.00 0.00 0.00 179.25 180.63 2jwn h HIS 56 N 0.69 1.03 0.00 0.00 -0.00 -1.13 -1.99 115.15 113.74 2jwn h HIS 56 Ca 0.30 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 2jwn h HIS 56 Cb 0.20 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 2jwn h HIS 56 CO -0.08 0.87 -0.39 0.74 -0.00 0.00 0.00 177.93 179.08 2jwn h PHE 57 N 0.92 0.00 0.00 5.26 0.04 -0.72 -3.30 116.94 119.14 2jwn h PHE 57 Ca 0.19 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 2jwn h PHE 57 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2jwn h PHE 57 CO 0.03 0.16 -0.21 1.03 -0.60 0.00 0.00 178.31 178.72 2jwn h SER 58 N 0.00 0.00 -0.00 2.17 0.87 0.59 -0.39 113.55 116.78 2jwn h SER 58 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2jwn h SER 58 Cb 1.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jwn h SER 58 CO 0.02 0.21 0.00 0.28 -0.53 0.00 0.00 176.83 176.81 2jwn h SER 59 N 0.00 0.00 -0.38 6.23 0.02 -1.59 -2.22 113.55 115.61 2jwn h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jwn h SER 59 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2jwn h SER 59 CO 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 2jwn n GLY 61 N 1.25 0.80 3.68 0.00 0.00 -0.83 -4.14 105.19 105.94 2jwn n GLY 61 Ca 0.16 -1.85 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 62 N -4.00 6.36 0.04 1.61 0.01 -1.26 -4.29 113.70 112.17 2jwn s SER 62 Ca 0.00 0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.44 2jwn s SER 62 Cb 0.00 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.99 2jwn s SER 62 CO 0.00 -0.00 0.75 -0.63 0.41 0.00 0.00 173.24 173.77 2jwn s ILE 63 N 1.04 4.75 -0.18 1.44 1.01 -1.26 0.10 121.20 128.10 2jwn s ILE 63 Ca 0.16 1.60 -0.16 0.00 0.00 0.00 0.00 60.65 62.25 2jwn s ILE 63 Cb -0.14 -4.10 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 2jwn s ILE 63 CO 0.06 0.36 0.05 -1.13 0.00 0.00 0.00 174.94 174.29 2jwn h ASN 64 N 5.71 0.00 -5.11 3.58 -0.73 -0.74 -3.42 115.58 114.87 2jwn h ASN 64 Ca -0.44 -0.30 -0.04 0.00 1.87 0.00 0.00 56.30 57.40 2jwn h ASN 64 Cb 1.20 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.69 2jwn h ASN 64 CO 0.71 1.17 -0.03 -0.13 -0.37 0.00 0.00 177.43 178.78 2jwn s ARG 65 N -2.30 1.31 -0.03 6.67 0.52 -0.63 -5.01 118.95 119.48 2jwn s ARG 65 Ca -0.23 -0.89 -0.05 0.00 -0.52 0.00 0.00 55.73 54.05 2jwn s ARG 65 Cb 0.04 0.50 0.01 0.00 0.52 0.00 0.00 34.95 36.02 2jwn s ARG 65 CO 0.43 -0.54 0.12 0.96 0.02 0.00 0.00 175.30 176.29 2jwn s ILE 66 N -3.88 0.02 -0.11 1.52 -4.36 -1.26 -0.46 121.20 112.67 2jwn s ILE 66 Ca 0.09 -0.19 0.02 0.00 -0.26 0.00 0.00 60.65 60.31 2jwn s ILE 66 Cb -0.00 -0.24 0.01 0.00 1.25 0.00 0.00 42.46 43.48 2jwn s ILE 66 CO -0.04 -0.11 -0.16 -0.89 0.24 0.00 0.00 174.94 173.99 2jwn s THR 67 N -0.32 1.54 -0.19 8.37 2.01 0.74 -4.97 115.64 122.83 2jwn s THR 67 Ca -0.04 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2jwn s THR 67 Cb -0.03 -1.41 0.04 0.00 0.01 0.00 0.00 72.50 71.11 2jwn s THR 67 CO 0.00 0.45 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 2jwn s ILE 68 N 1.00 1.71 -0.10 1.82 1.09 -1.26 0.50 121.20 125.95 2jwn s ILE 68 Ca -0.06 -0.94 0.03 0.00 -1.10 0.00 0.00 60.65 58.58 2jwn s ILE 68 Cb -0.15 -1.71 0.00 0.00 -1.06 0.00 0.00 42.46 39.55 2jwn s ILE 68 CO -0.02 0.28 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.40 2jwn s LEU 69 N 1.39 2.01 -0.11 2.97 2.34 -0.32 -5.00 118.68 121.97 2jwn s LEU 69 Ca 0.01 -0.53 0.02 0.00 0.06 0.00 0.00 54.13 53.69 2jwn s LEU 69 Cb -0.15 -1.32 -0.01 0.00 -0.56 0.00 0.00 46.19 44.15 2jwn s LEU 69 CO -0.09 0.12 -0.19 0.00 -1.06 0.00 0.00 176.35 175.12 2jwn s ASP 71 N 0.28 3.44 -0.01 0.00 1.47 -0.85 -4.91 116.67 116.09 2jwn s ASP 71 Ca -0.14 -0.58 0.02 0.00 1.18 0.00 0.00 52.55 53.03 2jwn s ASP 71 Cb -0.17 -0.38 0.03 0.00 -0.34 0.00 0.00 42.92 42.06 2jwn s ASP 71 CO 0.07 0.23 1.01 1.17 0.68 0.00 0.00 175.17 178.34 2jwn n LYS 72 N 1.41 2.80 0.30 2.11 4.81 -1.26 0.50 118.16 128.82 2jwn n LYS 72 Ca -0.17 -1.61 0.19 0.00 -0.87 0.00 0.00 58.31 55.85 2jwn n LYS 72 Cb 0.52 -1.05 0.87 0.00 0.02 0.00 0.00 35.03 35.39 2jwn n LYS 72 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jwn h PHE 73 N 0.00 0.00 0.00 5.64 -5.15 -1.94 0.77 116.94 116.26 2jwn h PHE 73 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2jwn h PHE 73 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 2jwn h PHE 73 CO 0.00 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 176.76 2jwn n SER 74 N -3.08 0.00 0.00 -0.68 2.88 -1.26 -4.89 113.62 106.58 2jwn n SER 74 Ca -0.01 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 2jwn n SER 74 Cb 0.23 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jwn n GLY 75 N 1.02 2.63 3.77 0.46 0.00 0.26 -4.94 105.19 108.39 2jwn n GLY 75 Ca 0.21 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 2jwn n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jwn s HIS 76 N 0.00 3.53 -0.14 1.61 3.76 -1.26 -4.97 115.29 117.83 2jwn s HIS 76 Ca 0.00 0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 55.29 2jwn s HIS 76 Cb 0.00 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2jwn s HIS 76 CO 0.00 0.39 1.48 -1.25 -0.85 0.00 0.00 174.74 174.51 2jwn s PRO 77 N -0.05 4.11 0.21 8.40 0.04 -1.26 -4.51 135.00 141.94 2jwn s PRO 77 Ca 0.18 1.84 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2jwn s PRO 77 Cb -0.14 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2jwn s PRO 77 CO 0.06 -0.89 0.31 0.15 0.04 0.00 0.00 177.00 176.66 2jwn s LYS 78 N 3.97 3.34 -0.01 4.56 -0.14 0.18 -4.50 119.74 127.14 2jwn s LYS 78 Ca 0.65 -0.76 0.01 0.00 -1.36 0.00 0.00 55.97 54.51 2jwn s LYS 78 Cb -0.26 -2.85 -0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2jwn s LYS 78 CO 0.23 0.45 -0.05 0.20 -0.76 0.00 0.00 175.35 175.43 2jwn s GLY 79 N -3.71 0.25 -0.13 -3.33 0.00 -1.20 -2.01 107.32 97.20 2jwn s GLY 79 Ca 0.34 -0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 2jwn s GLY 79 CO 0.28 -0.08 0.52 -2.52 0.00 0.00 0.00 173.10 171.29 2jwn s TYR 80 N 0.02 -0.52 0.06 1.90 -0.85 -1.03 -3.73 117.35 113.21 2jwn s TYR 80 Ca 0.00 1.12 0.04 0.00 -0.52 0.00 0.00 57.07 57.71 2jwn s TYR 80 Cb -0.03 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 2jwn s TYR 80 CO -0.00 -0.37 -0.12 0.00 -1.52 0.00 0.00 175.55 173.54 2jwn s ALA 81 N -0.36 0.94 -0.07 9.51 0.00 0.34 -1.17 121.76 130.95 2jwn s ALA 81 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2jwn s ALA 81 Cb -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2jwn s ALA 81 CO 0.03 0.09 -0.15 0.71 0.00 0.00 0.00 175.76 176.45 2jwn s TYR 82 N -1.32 1.69 -0.27 0.00 1.51 0.18 0.75 117.35 119.89 2jwn s TYR 82 Ca -0.05 -0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 55.33 2jwn s TYR 82 Cb -0.10 -1.20 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2jwn s TYR 82 CO 0.02 -0.28 0.05 0.42 -1.11 0.00 0.00 175.55 174.64 2jwn s ILE 83 N 0.50 3.89 -0.28 2.71 -1.09 -0.76 -0.19 121.20 125.99 2jwn s ILE 83 Ca -0.14 -0.54 -0.17 0.00 -2.23 0.00 0.00 60.65 57.57 2jwn s ILE 83 Cb -0.15 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2jwn s ILE 83 CO 0.04 0.21 0.49 -1.61 -1.23 0.00 0.00 174.94 172.85 2jwn s GLU 84 N 1.52 3.99 0.35 2.79 8.01 0.39 -1.09 118.70 134.66 2jwn s GLU 84 Ca 0.04 0.20 0.02 0.00 0.01 0.00 0.00 54.97 55.24 2jwn s GLU 84 Cb -0.16 -3.68 -0.02 0.00 -4.31 0.00 0.00 34.13 25.96 2jwn s GLU 84 CO 0.01 -0.38 0.53 -0.06 0.01 0.00 0.00 175.26 175.37 2jwn s PHE 85 N 2.28 3.36 -0.53 1.61 0.08 -0.25 -0.14 117.98 124.39 2jwn s PHE 85 Ca 0.20 0.16 0.25 0.00 0.12 0.00 0.00 56.93 57.66 2jwn s PHE 85 Cb -0.16 -1.96 0.90 0.00 -0.57 0.00 0.00 43.02 41.23 2jwn s PHE 85 CO 0.10 0.04 1.76 0.00 -0.10 0.00 0.00 175.22 177.01 2jwn h ALA 86 N 0.76 1.00 -2.63 5.36 0.00 -0.61 -3.39 119.26 119.76 2jwn h ALA 86 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2jwn h ALA 86 Cb 1.24 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2jwn h ALA 86 CO 0.59 0.00 -0.25 -2.00 0.00 0.00 0.00 179.25 177.59 2jwn s GLU 87 N -3.25 1.00 0.32 0.00 -6.30 -1.26 -5.01 118.70 104.21 2jwn s GLU 87 Ca 0.07 -0.93 0.03 0.00 -2.50 0.00 0.00 54.97 51.64 2jwn s GLU 87 Cb 0.10 0.40 0.55 0.00 0.00 0.00 0.00 34.13 35.18 2jwn s GLU 87 CO 0.51 -0.36 1.85 0.00 0.02 0.00 0.00 175.26 177.28 2jwn h ARG 88 N 2.57 0.58 -0.33 4.30 2.47 -1.89 -2.72 114.38 119.35 2jwn h ARG 88 Ca -0.33 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 2jwn h ARG 88 Cb 1.22 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.45 2jwn h ARG 88 CO 0.51 0.60 0.15 -2.95 0.56 0.00 0.00 179.97 178.84 2jwn h ASN 89 N 0.55 0.40 -0.38 7.04 7.08 -1.95 -1.29 115.58 127.02 2jwn h ASN 89 Ca 0.12 -0.03 -0.15 0.00 -3.08 0.00 0.00 56.30 53.15 2jwn h ASN 89 Cb 0.35 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 36.48 2jwn h ASN 89 CO 0.01 0.36 -0.36 0.28 -2.08 0.00 0.00 177.43 175.63 2jwn h SER 90 N 0.46 0.99 -0.18 6.14 0.02 -1.64 -1.51 113.55 117.82 2jwn h SER 90 Ca 0.12 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2jwn h SER 90 Cb 0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2jwn h SER 90 CO -0.02 1.24 0.02 1.62 -1.14 0.00 0.00 176.83 178.55 2jwn h VAL 91 N 0.74 1.24 -0.38 2.27 3.04 -1.35 -0.11 116.25 121.70 2jwn h VAL 91 Ca 0.06 -0.78 0.05 0.00 -1.01 0.00 0.00 66.70 65.03 2jwn h VAL 91 Cb 0.96 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 2jwn h VAL 91 CO 0.09 0.24 0.26 0.44 -1.01 0.00 0.00 177.57 177.59 2jwn h ASP 92 N 0.07 0.26 0.17 3.17 5.19 -1.24 0.13 116.42 124.18 2jwn h ASP 92 Ca 0.05 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.26 2jwn h ASP 92 Cb 0.34 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2jwn h ASP 92 CO 0.01 0.17 -0.80 0.00 -3.12 0.00 0.00 179.24 175.50 2jwn h ALA 93 N 1.79 0.46 -0.01 3.45 0.00 -1.00 -3.34 119.26 120.61 2jwn h ALA 93 Ca 0.17 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2jwn h ALA 93 Cb 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jwn h ALA 93 CO -0.04 0.75 -0.64 0.00 0.00 0.00 0.00 179.25 179.33 2jwn h ALA 94 N 0.79 0.09 -0.22 0.00 0.00 0.26 -3.22 119.26 116.95 2jwn h ALA 94 Ca -0.05 -0.58 0.06 0.00 0.00 0.00 0.00 54.91 54.35 2jwn h ALA 94 Cb 1.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2jwn h ALA 94 CO 0.14 0.39 0.50 -0.39 0.00 0.00 0.00 179.25 179.89 2jwn h VAL 95 N -0.04 0.13 0.00 0.00 -1.51 -0.92 0.47 116.25 114.39 2jwn h VAL 95 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2jwn h VAL 95 Cb 1.34 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2jwn h VAL 95 CO 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.47 2jwn n ALA 96 N -2.03 1.42 0.03 5.19 0.00 -1.22 -1.02 120.51 122.87 2jwn n ALA 96 Ca 0.03 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2jwn n ALA 96 Cb 0.61 -1.21 0.27 0.00 0.00 0.00 0.00 19.45 19.12 2jwn n ALA 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jwn n MET 97 N -1.73 2.58 -0.33 0.00 2.81 0.15 -4.66 117.12 115.95 2jwn n MET 97 Ca 0.02 -2.43 0.24 0.00 -1.81 0.00 0.00 57.70 53.72 2jwn n MET 97 Cb 0.12 -1.54 0.47 0.00 -0.71 0.00 0.00 33.22 31.56 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jwn h ASP 98 N 4.34 0.27 -3.45 7.83 2.03 -1.22 -2.96 116.42 123.26 2jwn h ASP 98 Ca 0.00 0.22 -0.70 0.00 -0.73 0.00 0.00 57.03 55.82 2jwn h ASP 98 Cb 0.97 0.24 -0.33 0.00 -0.83 0.00 0.00 39.33 39.38 2jwn h ASP 98 CO 0.00 -0.26 -0.52 -0.70 -1.03 0.00 0.00 179.24 176.73 2jwn s GLU 99 N -5.69 2.11 0.19 4.15 2.12 -1.26 -3.23 118.70 117.10 2jwn s GLU 99 Ca -0.10 -1.79 -0.12 0.00 0.36 0.00 0.00 54.97 53.31 2jwn s GLU 99 Cb 0.31 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2jwn s GLU 99 CO 0.78 -1.08 0.41 -0.08 -0.54 0.00 0.00 175.26 174.74 2jwn s THR 100 N 1.19 0.04 -0.26 -1.70 -1.32 -1.12 -5.02 115.64 107.46 2jwn s THR 100 Ca 0.07 -1.21 -0.06 0.00 -1.21 0.00 0.00 61.69 59.28 2jwn s THR 100 Cb -0.23 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 2jwn s THR 100 CO -0.03 -0.17 0.05 0.54 -2.21 0.00 0.00 174.62 172.80 2jwn s VAL 101 N -3.95 4.03 -0.07 5.08 0.11 -1.26 -0.43 120.40 123.90 2jwn s VAL 101 Ca 0.16 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2jwn s VAL 101 Cb 0.01 -2.93 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2jwn s VAL 101 CO 0.01 0.29 -0.02 0.12 -3.33 0.00 0.00 175.10 172.17 2jwn s PHE 102 N 1.56 0.82 -1.21 1.54 5.36 0.16 -4.88 117.98 121.34 2jwn s PHE 102 Ca 0.05 -0.27 -0.07 0.00 -0.96 0.00 0.00 56.93 55.68 2jwn s PHE 102 Cb -0.15 -0.86 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 2jwn s PHE 102 CO 0.02 -0.34 0.77 0.54 -1.46 0.00 0.00 175.22 174.75 2jwn n ARG 103 N 4.93 -3.33 -0.86 10.12 1.74 -1.26 -2.43 116.66 125.58 2jwn n ARG 103 Ca -0.11 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 2jwn n ARG 103 Cb 0.50 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jwn n GLY 104 N -1.53 0.49 3.15 -0.13 0.00 -1.26 -4.97 105.19 100.93 2jwn n GLY 104 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 2jwn n GLY 104 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jwn s ARG 105 N -0.56 0.77 -0.25 1.61 1.70 -1.02 -5.11 118.95 116.09 2jwn s ARG 105 Ca 0.00 -1.18 -0.22 0.00 -0.47 0.00 0.00 55.73 53.86 2jwn s ARG 105 Cb 0.00 -0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.08 2jwn s ARG 105 CO 0.00 0.02 0.69 0.99 -1.08 0.00 0.00 175.30 175.91 2jwn s THR 106 N -2.92 4.94 0.44 4.99 2.01 -1.26 0.39 115.64 124.23 2jwn s THR 106 Ca 0.06 1.26 0.08 0.00 0.31 0.00 0.00 61.69 63.40 2jwn s THR 106 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2jwn s THR 106 CO -0.03 -0.00 0.55 0.27 -0.69 0.00 0.00 174.62 174.72 2jwn s ILE 107 N 2.60 2.80 -0.08 1.82 -4.36 0.43 -4.85 121.20 119.55 2jwn s ILE 107 Ca 0.29 -1.08 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 2jwn s ILE 107 Cb -0.15 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.69 2jwn s ILE 107 CO 0.08 0.00 -0.10 -0.75 0.24 0.00 0.00 174.94 174.41 2jwn s LYS 108 N -4.34 1.59 -0.10 0.37 2.47 -1.10 -3.60 119.74 115.03 2jwn s LYS 108 Ca 0.54 -0.33 -0.00 0.00 -1.56 0.00 0.00 55.97 54.62 2jwn s LYS 108 Cb -0.08 -1.46 0.02 0.00 -1.46 0.00 0.00 37.83 34.86 2jwn s LYS 108 CO 0.32 -0.10 -0.08 0.54 0.16 0.00 0.00 175.35 176.19 2jwn s VAL 109 N 1.12 1.00 0.09 4.02 0.11 -1.20 -0.49 120.40 125.04 2jwn s VAL 109 Ca -0.06 -0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 58.61 2jwn s VAL 109 Cb -0.14 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.69 2jwn s VAL 109 CO -0.02 0.36 0.19 -1.48 -3.33 0.00 0.00 175.10 170.82 2jwn s LEU 110 N 1.53 1.43 0.27 2.54 -0.00 -0.77 -4.05 118.68 119.64 2jwn s LEU 110 Ca 0.01 -0.65 -0.30 0.00 -0.00 0.00 0.00 54.13 53.19 2jwn s LEU 110 Cb -0.13 1.03 -0.11 0.00 -0.00 0.00 0.00 46.19 46.97 2jwn s LEU 110 CO -0.06 -0.72 1.61 -2.84 -0.00 0.00 0.00 176.35 174.34 2jwn s PRO 111 N -3.84 4.13 -0.69 1.48 0.02 -1.26 0.46 135.00 135.30 2jwn s PRO 111 Ca 0.05 2.57 -0.27 0.00 0.02 0.00 0.00 61.00 63.37 2jwn s PRO 111 Cb 0.05 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.56 2jwn s PRO 111 CO -0.11 -0.65 1.22 0.21 -0.33 0.00 0.00 177.00 177.34 2jwn s LYS 112 N -0.17 3.27 -0.08 5.54 2.20 -0.39 -4.65 119.74 125.47 2jwn s LYS 112 Ca 0.65 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2jwn s LYS 112 Cb -0.48 -4.14 0.02 0.00 -1.51 0.00 0.00 37.83 31.73 2jwn s LYS 112 CO 0.45 -1.98 -0.06 0.50 -0.36 0.00 0.00 175.35 173.90 2jwn s ARG 113 N 5.33 1.15 -0.56 4.03 3.52 -1.26 -4.60 118.95 126.56 2jwn s ARG 113 Ca 0.36 -0.15 -0.27 0.00 -0.13 0.00 0.00 55.73 55.54 2jwn s ARG 113 Cb -0.09 -1.22 0.03 0.00 -1.56 0.00 0.00 34.95 32.12 2jwn s ARG 113 CO 0.17 -0.18 1.09 0.99 -0.81 0.00 0.00 175.30 176.57 2jwn s THR 114 N 1.41 4.17 -0.59 4.11 2.01 -1.26 -4.95 115.64 120.54 2jwn s THR 114 Ca -0.02 0.70 -0.28 0.00 0.31 0.00 0.00 61.69 62.40 2jwn s THR 114 Cb -0.13 -4.65 0.02 0.00 0.01 0.00 0.00 72.50 67.74 2jwn s THR 114 CO -0.03 -1.23 1.39 0.21 -0.69 0.00 0.00 174.62 174.26 2jwn s ASN 115 N 2.87 6.13 0.04 3.53 2.47 -1.26 -4.94 114.94 123.79 2jwn s ASN 115 Ca 0.39 0.16 -0.01 0.00 0.42 0.00 0.00 52.86 53.82 2jwn s ASN 115 Cb -0.09 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 2jwn s ASN 115 CO 0.24 -1.73 -0.02 0.00 -3.72 0.00 0.00 177.10 171.86 2jwn s MET 116 N 5.54 0.50 0.21 0.43 0.23 -1.26 -5.06 119.30 119.89 2jwn s MET 116 Ca 0.49 -0.97 -0.10 0.00 -1.03 0.00 0.00 55.69 54.09 2jwn s MET 116 Cb -0.10 0.17 0.31 0.00 -1.53 0.00 0.00 34.83 33.68 2jwn s MET 116 CO 0.23 -0.09 1.70 -1.35 -2.03 0.00 0.00 175.02 173.48 2jwn h PRO 117 N 3.73 0.23 0.00 3.16 0.11 -1.93 -3.47 132.00 133.83 2jwn h PRO 117 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2jwn h PRO 117 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jwn h PRO 117 CO 0.56 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 2jwn n GLY 118 N -1.33 -2.03 3.55 -0.55 0.00 -1.26 -5.03 105.19 98.54 2jwn n GLY 118 Ca 0.09 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 2jwn n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jwn s ILE 119 N -2.05 4.27 0.00 -0.61 1.09 -1.26 -2.70 121.20 119.94 2jwn s ILE 119 Ca 0.00 -1.82 0.00 0.00 -1.10 0.00 0.00 60.65 57.73 2jwn s ILE 119 Cb 0.00 -5.11 0.00 0.00 -1.06 0.00 0.00 42.46 36.29 2jwn s ILE 119 CO 0.00 -1.92 0.00 -0.24 -0.10 0.00 0.00 174.94 172.68 2jwn n SER 120 N 7.93 0.00 -4.59 3.58 2.88 -1.26 -4.99 113.62 117.17 2jwn n SER 120 Ca 0.43 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.54 2jwn n SER 120 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 2jwn n SER 120 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jwn s SER 121 N -0.78 6.12 -0.34 -3.46 1.04 -1.10 -2.79 113.70 112.40 2jwn s SER 121 Ca 0.00 0.86 -0.06 0.00 0.48 0.00 0.00 55.95 57.22 2jwn s SER 121 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2jwn s SER 121 CO 0.00 -1.60 0.39 0.41 0.98 0.00 0.00 173.24 173.42 2jwn n THR 122 N 7.16 -7.27 -2.81 2.02 -1.04 -1.26 -4.89 114.28 106.18 2jwn n THR 122 Ca 0.18 0.30 -0.43 0.00 -2.04 0.00 0.00 64.05 62.06 2jwn n THR 122 Cb 0.48 -5.89 -0.04 0.00 -1.82 0.00 0.00 70.33 63.06 2jwn n THR 122 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jwn s ASP 123 N -2.22 6.41 0.00 8.00 2.15 -1.12 -5.03 116.67 124.85 2jwn s ASP 123 Ca 0.10 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2jwn s ASP 123 Cb -0.03 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2jwn s ASP 123 CO 0.47 -1.18 0.12 0.54 -0.17 0.00 0.00 175.17 174.95