#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 5.13 -0.14 0.00 -5.25 -1.26 -5.09 121.20 114.58 2jwn s ILE 2 Ca 0.00 0.07 0.02 0.00 -0.99 0.00 0.00 60.65 59.76 2jwn s ILE 2 Cb 0.00 -3.25 0.01 0.00 2.95 0.00 0.00 42.46 42.17 2jwn s ILE 2 CO 0.00 0.56 -0.22 0.00 -1.79 0.00 0.00 174.94 173.50 2jwn s ALA 3 N -0.55 2.27 -0.61 2.27 0.00 -1.26 -5.06 121.76 118.82 2jwn s ALA 3 Ca 0.11 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 2jwn s ALA 3 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 2jwn s ALA 3 CO 0.02 -0.05 1.76 -2.14 0.00 0.00 0.00 175.76 175.36 2jwn s PRO 4 N 0.84 2.77 -0.63 0.00 0.02 -1.26 -4.89 135.00 131.86 2jwn s PRO 4 Ca -0.06 0.54 0.05 0.00 0.02 0.00 0.00 61.00 61.55 2jwn s PRO 4 Cb -0.15 -4.34 0.17 0.00 0.02 0.00 0.00 34.50 30.20 2jwn s PRO 4 CO -0.02 -2.57 0.47 0.00 -0.33 0.00 0.00 177.00 174.54 2jwn n MET 6 N 2.13 0.64 -3.31 0.00 2.81 -1.26 -5.04 117.12 113.08 2jwn n MET 6 Ca 0.23 0.42 -0.22 0.00 -1.81 0.00 0.00 57.70 56.32 2jwn n MET 6 Cb 0.39 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.21 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 -4.04 -1.89 -3.72 0.03 6.02 -1.26 -4.99 117.38 107.53 2jwn n GLN 7 Ca -0.35 1.50 -0.29 0.00 -0.01 0.00 0.00 57.00 57.86 2jwn n GLN 7 Cb 0.84 -3.67 -0.12 0.00 1.02 0.00 0.00 30.24 28.30 2jwn n GLN 7 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2jwn s THR 8 N -2.32 1.69 -0.08 5.09 2.01 -1.26 -4.79 115.64 115.97 2jwn s THR 8 Ca 0.21 -3.11 -0.06 0.00 0.31 0.00 0.00 61.69 59.04 2jwn s THR 8 Cb -0.03 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2jwn s THR 8 CO 0.83 -0.99 0.21 0.42 -0.69 0.00 0.00 174.62 174.40 2jwn s THR 9 N -0.26 -0.01 0.01 -0.82 -4.23 -1.26 -5.17 115.64 103.91 2jwn s THR 9 Ca 0.23 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.77 2jwn s THR 9 Cb -0.13 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.39 2jwn s THR 9 CO -0.08 0.02 -0.01 -1.00 -0.54 0.00 0.00 174.62 173.01 2jwn s HIS 10 N 0.42 0.19 -0.26 3.99 3.76 -1.26 -4.91 115.29 117.22 2jwn s HIS 10 Ca -0.03 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.35 2jwn s HIS 10 Cb -0.04 -0.14 -0.14 0.00 1.11 0.00 0.00 32.58 33.36 2jwn s HIS 10 CO -0.02 -0.17 -0.19 -1.13 -0.85 0.00 0.00 174.74 172.39 2jwn n SER 11 N 1.86 1.94 -0.03 1.40 3.41 -1.26 -4.87 113.62 116.07 2jwn n SER 11 Ca -0.22 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2jwn n SER 11 Cb 0.56 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2jwn n SER 11 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jwn n LYS 12 N -4.21 0.00 -4.42 4.33 4.76 -1.26 -4.82 118.16 112.54 2jwn n LYS 12 Ca -0.48 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.62 2jwn n LYS 12 Cb 0.85 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.91 2jwn n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jwn s MET 13 N 0.00 3.59 -0.18 1.97 0.23 -1.26 -5.01 119.30 118.64 2jwn s MET 13 Ca 0.00 -0.56 -0.08 0.00 -1.03 0.00 0.00 55.69 54.02 2jwn s MET 13 Cb 0.00 -2.88 0.08 0.00 -1.53 0.00 0.00 34.83 30.50 2jwn s MET 13 CO 0.00 0.19 0.41 0.95 -2.03 0.00 0.00 175.02 174.54 2jwn s THR 14 N 0.48 -0.39 0.40 3.16 -4.23 -1.26 -5.18 115.64 108.61 2jwn s THR 14 Ca -0.04 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2jwn s THR 14 Cb -0.15 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.06 2jwn s THR 14 CO 0.03 0.06 0.57 0.00 -0.54 0.00 0.00 174.62 174.74 2jwn s ALA 15 N 2.13 4.17 0.00 3.99 0.00 -1.26 -5.01 121.76 125.79 2jwn s ALA 15 Ca -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2jwn s ALA 15 Cb -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2jwn s ALA 15 CO -0.13 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2jwn n GLY 16 N -1.85 -0.09 3.45 0.00 0.00 -1.26 -5.12 105.19 100.31 2jwn n GLY 16 Ca 0.03 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.43 3.16 -0.08 4.61 0.00 -1.26 -4.96 121.76 121.80 2jwn s ALA 17 Ca 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 51.96 50.95 2jwn s ALA 17 Cb 0.00 -2.08 -0.24 0.00 0.00 0.00 0.00 23.12 20.81 2jwn s ALA 17 CO 0.00 -0.48 0.51 0.98 0.00 0.00 0.00 175.76 176.77 2jwn n TYR 18 N 4.90 0.83 -3.74 0.00 9.36 -1.26 -4.99 117.16 122.26 2jwn n TYR 18 Ca -0.16 0.28 -0.20 0.00 3.32 0.00 0.00 57.90 61.14 2jwn n TYR 18 Cb 0.51 -1.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.08 2jwn n TYR 18 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2jwn n THR 19 N -3.04 0.00 0.29 2.97 5.66 -1.26 -5.03 114.28 113.88 2jwn n THR 19 Ca -0.22 -1.67 0.04 0.00 -3.05 0.00 0.00 64.05 59.15 2jwn n THR 19 Cb 1.07 -0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 2jwn n THR 19 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jwn n GLU 20 N -1.53 2.80 0.00 1.09 1.02 -1.26 -5.11 120.64 117.65 2jwn n GLU 20 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2jwn n GLU 20 Cb 0.48 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jwn n GLY 21 N 1.45 0.55 0.37 0.62 0.00 -1.26 -4.31 105.19 102.61 2jwn n GLY 21 Ca 0.01 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.02 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 0.98 -6.47 1.61 0.11 -2.08 -3.44 132.00 122.72 2jwn h PRO 22 Ca 0.00 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.45 2jwn h PRO 22 Cb 0.00 -0.22 0.06 0.00 0.11 0.00 0.00 31.00 30.95 2jwn h PRO 22 CO 0.00 0.65 0.69 -0.35 -0.21 0.00 0.00 178.00 178.78 2jwn n PRO 23 N -4.56 1.93 -1.86 1.05 -0.04 -1.26 -4.88 135.00 125.39 2jwn n PRO 23 Ca 0.17 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 2jwn n PRO 23 Cb 0.30 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 2jwn n PRO 23 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jwn s GLN 24 N 0.58 4.18 -0.11 0.54 -1.52 -1.26 -4.92 119.66 117.15 2jwn s GLN 24 Ca 0.78 2.45 -0.29 0.00 -1.95 0.00 0.00 55.36 56.35 2jwn s GLN 24 Cb -0.73 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 28.89 2jwn s GLN 24 CO 0.42 -0.66 1.40 -1.25 -0.25 0.00 0.00 175.29 174.94 2jwn s PRO 25 N 1.21 4.22 0.98 2.91 0.04 -1.26 -5.01 135.00 138.08 2jwn s PRO 25 Ca 0.72 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.48 2jwn s PRO 25 Cb -0.46 -3.81 0.18 0.00 0.04 0.00 0.00 34.50 30.44 2jwn s PRO 25 CO 0.32 -0.73 1.15 -0.48 0.04 0.00 0.00 177.00 177.29 2jwn s LEU 26 N 3.53 1.82 0.77 -3.56 -0.00 -1.26 -5.02 118.68 114.97 2jwn s LEU 26 Ca 0.62 0.85 -0.12 0.00 -0.00 0.00 0.00 54.13 55.47 2jwn s LEU 26 Cb -0.26 -3.02 0.06 0.00 -0.00 0.00 0.00 46.19 42.97 2jwn s LEU 26 CO 0.21 -2.91 1.12 -0.55 -0.00 0.00 0.00 176.35 174.22 2jwn s SER 27 N -4.04 4.29 0.19 1.48 0.15 -1.26 -4.76 113.70 109.74 2jwn s SER 27 Ca 0.66 1.99 -0.13 0.00 0.70 0.00 0.00 55.95 59.18 2jwn s SER 27 Cb -0.13 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.82 2jwn s SER 27 CO 0.54 -2.18 1.73 0.00 1.20 0.00 0.00 173.24 174.53 2jwn h ALA 28 N -0.93 0.58 -0.01 5.45 0.00 -1.98 0.24 119.26 122.60 2jwn h ALA 28 Ca -0.45 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2jwn h ALA 28 Cb 1.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2jwn h ALA 28 CO 0.50 -0.28 -0.47 0.93 0.00 0.00 0.00 179.25 179.93 2jwn h GLU 29 N 0.28 0.02 -0.56 0.00 4.39 -1.99 0.19 114.58 116.91 2jwn h GLU 29 Ca 0.25 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.84 2jwn h GLU 29 Cb 0.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2jwn h GLU 29 CO -0.30 0.49 -0.02 0.93 -1.16 0.00 0.00 179.01 178.96 2jwn h GLU 30 N 0.02 0.97 -0.02 2.33 3.07 -1.71 -2.88 114.58 116.36 2jwn h GLU 30 Ca -0.00 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2jwn h GLU 30 Cb 0.85 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2jwn h GLU 30 CO 0.06 0.97 -0.01 0.87 -1.40 0.00 0.00 179.01 179.50 2jwn h LYS 31 N 0.89 0.04 -0.57 2.33 1.57 0.66 -1.46 116.57 120.03 2jwn h LYS 31 Ca 0.16 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2jwn h LYS 31 Cb 0.54 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2jwn h LYS 31 CO 0.03 0.48 0.38 0.87 -0.57 0.00 0.00 179.45 180.63 2jwn h LYS 32 N -0.40 0.65 -0.01 3.15 6.56 -0.73 0.24 116.57 126.03 2jwn h LYS 32 Ca 0.00 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2jwn h LYS 32 Cb 0.47 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2jwn h LYS 32 CO 0.00 0.43 -0.01 0.93 -2.06 0.00 0.00 179.45 178.74 2jwn h GLU 33 N 0.67 0.01 -0.27 3.15 4.39 -1.47 -3.10 114.58 117.96 2jwn h GLU 33 Ca 0.23 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 2jwn h GLU 33 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2jwn h GLU 33 CO -0.06 0.52 -0.25 -0.84 -1.16 0.00 0.00 179.01 177.22 2jwn h ILE 34 N -0.50 1.27 -1.00 3.13 3.07 -0.63 -2.30 117.51 120.56 2jwn h ILE 34 Ca 0.00 -1.29 0.02 0.00 1.55 0.00 0.00 64.86 65.14 2jwn h ILE 34 Cb 0.52 1.34 -0.05 0.00 -0.27 0.00 0.00 36.82 38.36 2jwn h ILE 34 CO 0.00 0.41 0.66 0.44 -1.05 0.00 0.00 178.15 178.61 2jwn h ASP 35 N 0.46 1.13 0.89 2.16 3.32 -0.63 -0.81 116.42 122.93 2jwn h ASP 35 Ca 0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jwn h ASP 35 Cb 0.68 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2jwn h ASP 35 CO 0.05 0.80 0.00 0.29 -1.72 0.00 0.00 179.24 178.66 2jwn n LYS 36 N -4.40 0.05 -0.19 3.56 5.02 -0.90 -2.20 118.16 119.09 2jwn n LYS 36 Ca 0.12 0.14 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 2jwn n LYS 36 Cb 0.04 -1.57 0.24 0.00 -0.02 0.00 0.00 35.03 33.72 2jwn n LYS 36 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jwn n ARG 37 N -1.66 2.41 -4.03 1.97 5.12 -0.33 -4.72 116.66 115.41 2jwn n ARG 37 Ca 0.05 -2.13 -0.22 0.00 -1.93 0.00 0.00 57.85 53.62 2jwn n ARG 37 Cb 0.29 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.04 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jwn s SER 38 N -1.46 4.88 0.14 0.55 0.15 -0.94 -0.13 113.70 116.89 2jwn s SER 38 Ca 0.38 -0.67 0.02 0.00 0.70 0.00 0.00 55.95 56.39 2jwn s SER 38 Cb 0.22 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 2jwn s SER 38 CO 0.31 -0.29 -0.04 0.68 1.20 0.00 0.00 173.24 175.11 2jwn s VAL 39 N -2.37 0.72 -0.19 4.45 -7.23 -0.13 -0.35 120.40 115.31 2jwn s VAL 39 Ca 0.38 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2jwn s VAL 39 Cb -0.04 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 2jwn s VAL 39 CO 0.24 -0.66 -0.03 -0.47 -0.31 0.00 0.00 175.10 173.86 2jwn s TYR 40 N -3.62 2.98 -0.26 2.82 5.04 0.18 -1.66 117.35 122.83 2jwn s TYR 40 Ca 0.18 -0.60 -0.05 0.00 -2.44 0.00 0.00 57.07 54.16 2jwn s TYR 40 Cb 0.05 -2.04 0.01 0.00 0.35 0.00 0.00 41.96 40.33 2jwn s TYR 40 CO 0.00 -0.30 0.01 0.08 -1.34 0.00 0.00 175.55 174.00 2jwn s VAL 41 N 0.98 3.52 0.36 3.14 1.01 0.26 -0.79 120.40 128.88 2jwn s VAL 41 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.35 2jwn s VAL 41 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2jwn s VAL 41 CO 0.01 0.21 0.25 -0.83 0.00 0.00 0.00 175.10 174.74 2jwn s GLY 42 N 1.45 1.97 -1.09 4.51 0.00 0.13 0.04 107.32 114.33 2jwn s GLY 42 Ca 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2jwn s GLY 42 CO -0.01 -1.70 0.00 -2.01 0.00 0.00 0.00 173.10 169.39 2jwn n ASN 43 N -1.32 -4.57 -4.64 1.64 5.15 -1.06 -2.69 115.26 107.76 2jwn n ASN 43 Ca -0.01 0.25 -0.43 0.00 -0.60 0.00 0.00 54.58 53.80 2jwn n ASN 43 Cb 0.61 -2.97 -0.02 0.00 -0.53 0.00 0.00 39.78 36.86 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 -2.27 4.06 0.48 3.44 0.11 -0.96 -4.90 120.40 120.36 2jwn s VAL 44 Ca 0.00 1.23 0.03 0.00 -2.93 0.00 0.00 61.98 60.30 2jwn s VAL 44 Cb 0.00 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 30.88 2jwn s VAL 44 CO 0.00 -0.32 0.69 1.51 -3.33 0.00 0.00 175.10 173.65 2jwn s ASP 45 N 2.88 5.54 -0.65 3.54 -4.77 -1.26 -2.94 116.67 119.00 2jwn s ASP 45 Ca 0.60 -0.02 -0.26 0.00 -3.30 0.00 0.00 52.55 49.57 2jwn s ASP 45 Cb -0.21 -1.03 -0.06 0.00 -1.09 0.00 0.00 42.92 40.53 2jwn s ASP 45 CO 0.22 -0.91 2.16 -0.31 0.70 0.00 0.00 175.17 177.04 2jwn s TYR 46 N -2.59 1.39 0.00 2.11 1.51 -1.26 -1.98 117.35 116.53 2jwn s TYR 46 Ca 0.54 1.25 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 2jwn s TYR 46 Cb -0.10 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 37.96 2jwn s TYR 46 CO 0.37 -2.15 0.00 0.41 -1.11 0.00 0.00 175.55 173.07 2jwn n GLY 47 N 6.21 0.31 3.75 0.71 0.00 -1.26 -5.12 105.19 109.78 2jwn n GLY 47 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 2jwn n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 48 N 0.00 7.26 0.43 1.61 0.01 -0.84 -5.06 113.70 117.11 2jwn s SER 48 Ca 0.00 1.51 0.08 0.00 1.31 0.00 0.00 55.95 58.84 2jwn s SER 48 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 2jwn s SER 48 CO 0.00 0.02 0.42 0.42 0.41 0.00 0.00 173.24 174.51 2jwn s THR 49 N -0.15 2.63 0.04 1.44 -4.23 -1.26 -4.97 115.64 109.14 2jwn s THR 49 Ca 0.39 -1.29 -0.25 0.00 -1.18 0.00 0.00 61.69 59.36 2jwn s THR 49 Cb -0.21 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 2jwn s THR 49 CO 0.24 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.84 2jwn h ALA 50 N 0.93 -0.06 -0.91 3.99 0.00 -1.99 -0.75 119.26 120.47 2jwn h ALA 50 Ca -0.40 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2jwn h ALA 50 Cb 1.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2jwn h ALA 50 CO 0.55 -0.43 0.60 1.96 0.00 0.00 0.00 179.25 181.93 2jwn h GLN 51 N -0.27 1.12 -0.55 0.00 4.20 -1.98 0.24 115.11 117.88 2jwn h GLN 51 Ca -0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2jwn h GLN 51 Cb 0.24 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2jwn h GLN 51 CO 0.01 0.74 0.08 0.22 -0.67 0.00 0.00 178.83 179.22 2jwn h ASP 52 N 1.16 0.83 -0.05 1.46 3.58 -1.90 0.14 116.42 121.63 2jwn h ASP 52 Ca 0.35 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 2jwn h ASP 52 Cb -0.02 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.82 2jwn h ASP 52 CO -0.10 0.85 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.85 2jwn h LEU 53 N 0.83 0.26 -0.06 2.28 3.38 -0.57 -2.85 115.31 118.58 2jwn h LEU 53 Ca 0.17 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jwn h LEU 53 Cb 0.38 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jwn h LEU 53 CO 0.01 0.84 0.03 -0.08 0.09 0.00 0.00 178.44 179.33 2jwn h GLU 54 N -0.31 0.08 -0.68 1.13 4.22 -0.29 -1.15 114.58 117.58 2jwn h GLU 54 Ca -0.01 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.49 2jwn h GLU 54 Cb 0.82 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2jwn h GLU 54 CO 0.04 0.12 0.36 0.00 -2.18 0.00 0.00 179.01 177.35 2jwn h ALA 55 N 0.95 0.91 -0.72 2.92 0.00 -0.83 0.42 119.26 122.91 2jwn h ALA 55 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jwn h ALA 55 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jwn h ALA 55 CO -0.00 0.01 0.17 1.25 0.00 0.00 0.00 179.25 180.68 2jwn h HIS 56 N 0.65 1.21 0.00 0.00 -0.00 -1.22 -2.56 115.15 113.22 2jwn h HIS 56 Ca 0.31 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 2jwn h HIS 56 Cb 0.24 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 2jwn h HIS 56 CO -0.09 0.97 -0.44 0.74 -0.00 0.00 0.00 177.93 179.12 2jwn h PHE 57 N 1.09 0.00 0.00 5.26 0.04 -0.64 -3.26 116.94 119.44 2jwn h PHE 57 Ca 0.23 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.95 2jwn h PHE 57 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2jwn h PHE 57 CO 0.03 0.24 -0.20 1.03 -0.60 0.00 0.00 178.31 178.81 2jwn h SER 58 N 0.00 0.00 -0.08 2.17 0.87 0.22 0.07 113.55 116.80 2jwn h SER 58 Ca -0.02 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2jwn h SER 58 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jwn h SER 58 CO 0.03 0.20 0.07 0.28 -0.53 0.00 0.00 176.83 176.88 2jwn h SER 59 N 0.00 0.00 -0.30 6.23 0.02 -1.54 -1.77 113.55 116.19 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 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 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 1.30 0.43 3.63 0.00 0.00 -0.66 -4.37 105.19 105.53 2jwn n GLY 61 Ca 0.17 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jwn s SER 62 N -4.00 6.14 0.06 1.61 0.15 -1.26 -4.23 113.70 112.17 2jwn s SER 62 Ca 0.00 0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 2jwn s SER 62 Cb 0.00 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2jwn s SER 62 CO 0.00 -0.01 0.82 -0.63 1.20 0.00 0.00 173.24 174.62 2jwn s ILE 63 N 1.41 4.69 -0.25 6.45 1.01 -1.26 -0.45 121.20 132.80 2jwn s ILE 63 Ca 0.10 1.75 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 2jwn s ILE 63 Cb -0.15 -4.17 -0.16 0.00 0.01 0.00 0.00 42.46 37.99 2jwn s ILE 63 CO 0.07 0.34 -0.18 -3.20 0.00 0.00 0.00 174.94 171.97 2jwn n ASN 64 N 2.87 1.97 -3.75 3.58 5.15 0.17 -4.71 115.26 120.53 2jwn n ASN 64 Ca -0.01 0.15 -0.09 0.00 -0.60 0.00 0.00 54.58 54.02 2jwn n ASN 64 Cb 0.50 -0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 39.03 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jwn s ARG 65 N -2.50 1.40 -0.05 1.20 0.52 0.32 -5.00 118.95 114.84 2jwn s ARG 65 Ca -0.35 -0.89 -0.08 0.00 -0.52 0.00 0.00 55.73 53.89 2jwn s ARG 65 Cb 0.11 0.52 0.02 0.00 0.52 0.00 0.00 34.95 36.11 2jwn s ARG 65 CO 0.57 -0.59 0.20 0.96 0.02 0.00 0.00 175.30 176.46 2jwn s ILE 66 N -3.88 0.03 -0.04 1.52 -4.36 -1.26 0.43 121.20 113.64 2jwn s ILE 66 Ca 0.10 -0.28 0.06 0.00 -0.26 0.00 0.00 60.65 60.27 2jwn s ILE 66 Cb -0.01 -0.39 -0.01 0.00 1.25 0.00 0.00 42.46 43.30 2jwn s ILE 66 CO -0.02 -0.15 -0.22 0.42 0.24 0.00 0.00 174.94 175.20 2jwn s THR 67 N -0.54 1.80 -0.19 8.37 -4.23 0.12 -4.94 115.64 116.03 2jwn s THR 67 Ca -0.06 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2jwn s THR 67 Cb -0.04 -1.52 0.05 0.00 1.34 0.00 0.00 72.50 72.34 2jwn s THR 67 CO 0.01 0.51 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.94 2jwn s ILE 68 N -0.27 1.11 -0.15 2.99 1.09 -1.26 -0.22 121.20 124.49 2jwn s ILE 68 Ca 0.01 -0.79 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 2jwn s ILE 68 Cb -0.11 -1.38 0.01 0.00 -1.06 0.00 0.00 42.46 39.92 2jwn s ILE 68 CO 0.01 -0.01 -0.21 -1.48 -0.10 0.00 0.00 174.94 173.15 2jwn s LEU 69 N 1.61 2.08 -0.06 2.97 2.34 0.54 -4.99 118.68 123.18 2jwn s LEU 69 Ca -0.02 -0.60 0.05 0.00 0.06 0.00 0.00 54.13 53.62 2jwn s LEU 69 Cb -0.17 -1.43 -0.02 0.00 -0.56 0.00 0.00 46.19 44.02 2jwn s LEU 69 CO -0.07 0.05 -0.21 0.00 -1.06 0.00 0.00 176.35 175.06 2jwn s ASP 71 N -0.30 3.11 0.00 0.00 1.47 -0.43 -4.92 116.67 115.59 2jwn s ASP 71 Ca 0.01 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.18 2jwn s ASP 71 Cb -0.13 -0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.16 2jwn s ASP 71 CO 0.02 0.27 0.64 1.17 0.68 0.00 0.00 175.17 177.96 2jwn n LYS 72 N 1.92 0.85 0.26 2.11 4.81 -1.26 0.07 118.16 126.92 2jwn n LYS 72 Ca -0.17 -0.85 0.11 0.00 -0.87 0.00 0.00 58.31 56.54 2jwn n LYS 72 Cb 0.52 -0.88 0.69 0.00 0.02 0.00 0.00 35.03 35.38 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 -0.18 116.94 115.31 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.56 2jwn h PHE 73 CO 0.00 0.13 -0.04 0.45 -2.00 0.00 0.00 178.31 176.85 2jwn n SER 74 N -3.76 0.06 0.00 -0.68 2.88 -1.26 -4.92 113.62 105.94 2jwn n SER 74 Ca -0.02 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2jwn n SER 74 Cb 0.24 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.43 3.13 3.78 0.46 0.00 -0.08 -5.03 105.19 108.88 2jwn n GLY 75 Ca 0.09 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.26 1.61 3.76 -1.26 -4.95 115.29 117.73 2jwn s HIS 76 Ca 0.00 0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 55.26 2jwn s HIS 76 Cb 0.00 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2jwn s HIS 76 CO 0.00 0.41 1.23 -1.25 -0.85 0.00 0.00 174.74 174.28 2jwn s PRO 77 N -0.11 4.07 0.01 8.40 0.04 -1.25 -4.44 135.00 141.72 2jwn s PRO 77 Ca 0.17 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 2jwn s PRO 77 Cb -0.13 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2jwn s PRO 77 CO 0.05 -0.91 0.17 0.15 0.04 0.00 0.00 177.00 176.51 2jwn s LYS 78 N 3.78 3.37 -0.04 4.56 1.02 0.11 -4.79 119.74 127.75 2jwn s LYS 78 Ca 0.53 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 56.19 2jwn s LYS 78 Cb -0.17 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2jwn s LYS 78 CO 0.17 0.65 -0.22 0.20 -0.92 0.00 0.00 175.35 175.23 2jwn s GLY 79 N -2.06 1.14 -0.10 -3.33 0.00 -1.15 -1.32 107.32 100.50 2jwn s GLY 79 Ca 0.29 -0.94 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 2jwn s GLY 79 CO 0.20 -0.64 0.34 -2.52 0.00 0.00 0.00 173.10 170.49 2jwn s TYR 80 N -0.25 -0.33 0.03 1.90 1.13 -0.92 -2.27 117.35 116.64 2jwn s TYR 80 Ca 0.01 0.75 -0.02 0.00 -1.41 0.00 0.00 57.07 56.39 2jwn s TYR 80 Cb -0.11 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.85 2jwn s TYR 80 CO 0.02 -0.25 0.01 0.00 -2.51 0.00 0.00 175.55 172.82 2jwn s ALA 81 N -0.28 0.14 -0.16 9.51 0.00 0.11 -0.34 121.76 130.74 2jwn s ALA 81 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2jwn s ALA 81 Cb -0.03 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2jwn s ALA 81 CO 0.02 -0.26 -0.16 0.71 0.00 0.00 0.00 175.76 176.07 2jwn s TYR 82 N -2.42 2.77 -0.37 0.00 1.51 0.69 0.91 117.35 120.44 2jwn s TYR 82 Ca -0.07 -1.09 -0.11 0.00 -1.01 0.00 0.00 57.07 54.78 2jwn s TYR 82 Cb -0.03 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2jwn s TYR 82 CO -0.04 -0.50 0.22 0.42 -1.11 0.00 0.00 175.55 174.53 2jwn s ILE 83 N 0.84 4.69 -0.26 2.71 -1.09 -0.66 0.13 121.20 127.57 2jwn s ILE 83 Ca -0.05 -0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 57.45 2jwn s ILE 83 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2jwn s ILE 83 CO -0.01 -0.22 0.32 -1.61 -1.23 0.00 0.00 174.94 172.19 2jwn s GLU 84 N 1.58 4.03 0.45 2.79 2.02 0.17 -0.95 118.70 128.78 2jwn s GLU 84 Ca 0.03 -0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.05 2jwn s GLU 84 Cb -0.19 -3.63 0.02 0.00 0.10 0.00 0.00 34.13 30.43 2jwn s GLU 84 CO 0.07 -0.20 0.61 -0.06 0.02 0.00 0.00 175.26 175.71 2jwn s PHE 85 N 1.82 2.65 -0.01 1.61 0.08 0.81 0.43 117.98 125.37 2jwn s PHE 85 Ca 0.13 -0.41 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 2jwn s PHE 85 Cb -0.15 -2.39 -0.33 0.00 -0.57 0.00 0.00 43.02 39.57 2jwn s PHE 85 CO 0.09 -0.54 0.88 0.00 -0.10 0.00 0.00 175.22 175.55 2jwn h ALA 86 N 0.54 -0.06 -2.95 5.36 0.00 -1.01 -3.39 119.26 117.75 2jwn h ALA 86 Ca -0.39 -0.91 -0.64 0.00 0.00 0.00 0.00 54.91 52.97 2jwn h ALA 86 Cb 1.28 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 2jwn h ALA 86 CO 0.45 0.72 -0.53 -1.21 0.00 0.00 0.00 179.25 178.68 2jwn s GLU 87 N -2.56 3.27 0.17 0.00 0.41 -1.26 -4.95 118.70 113.78 2jwn s GLU 87 Ca -0.12 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 2jwn s GLU 87 Cb 0.04 -2.98 0.03 0.00 -1.78 0.00 0.00 34.13 29.43 2jwn s GLU 87 CO 0.90 0.65 1.40 -0.09 -0.49 0.00 0.00 175.26 177.62 2jwn h ARG 88 N 3.72 0.31 0.00 1.61 1.12 -1.87 -2.80 114.38 116.46 2jwn h ARG 88 Ca -0.48 -0.29 -0.00 0.00 -1.11 0.00 0.00 59.98 58.10 2jwn h ARG 88 Cb 1.18 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.21 2jwn h ARG 88 CO 0.68 0.96 -0.00 -2.95 -3.11 0.00 0.00 179.97 175.55 2jwn h ASN 89 N 0.19 0.00 -0.30 -3.80 -1.07 -1.94 -1.27 115.58 107.40 2jwn h ASN 89 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.24 2jwn h ASN 89 Cb 1.41 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.64 2jwn h ASN 89 CO 0.13 0.00 -0.11 0.28 0.07 0.00 0.00 177.43 177.80 2jwn h SER 90 N 0.00 0.70 -0.59 6.14 0.02 -1.69 -2.12 113.55 116.01 2jwn h SER 90 Ca -0.00 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 2jwn h SER 90 Cb 0.30 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2jwn h SER 90 CO 0.00 0.84 -0.01 -0.37 -1.14 0.00 0.00 176.83 176.16 2jwn h VAL 91 N 0.65 1.27 -0.92 2.27 -1.51 -1.34 -0.32 116.25 116.35 2jwn h VAL 91 Ca 0.11 -1.15 0.11 0.00 -1.23 0.00 0.00 66.70 64.54 2jwn h VAL 91 Cb 0.57 0.84 -0.07 0.00 -2.13 0.00 0.00 31.29 30.49 2jwn h VAL 91 CO 0.04 0.42 0.59 -0.78 -1.23 0.00 0.00 177.57 176.60 2jwn h ASP 92 N 0.93 0.83 0.03 4.19 1.82 -1.36 0.44 116.42 123.31 2jwn h ASP 92 Ca 0.17 0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.62 2jwn h ASP 92 Cb 0.56 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2jwn h ASP 92 CO 0.03 0.47 -0.78 0.00 -1.61 0.00 0.00 179.24 177.35 2jwn h ALA 93 N 1.55 0.41 -0.00 -0.78 0.00 -0.89 -3.34 119.26 116.20 2jwn h ALA 93 Ca 0.44 -0.61 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2jwn h ALA 93 Cb 0.45 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jwn h ALA 93 CO -0.20 0.72 -1.04 0.00 0.00 0.00 0.00 179.25 178.73 2jwn h ALA 94 N 0.70 0.14 -0.09 0.00 0.00 0.43 -3.19 119.26 117.24 2jwn h ALA 94 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.19 2jwn h ALA 94 Cb 1.40 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2jwn h ALA 94 CO 0.15 0.69 0.25 -0.39 0.00 0.00 0.00 179.25 179.95 2jwn h VAL 95 N 0.40 0.16 0.00 0.00 -1.51 -0.32 0.15 116.25 115.13 2jwn h VAL 95 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2jwn h VAL 95 Cb 1.69 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2jwn h VAL 95 CO 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 2jwn n ALA 96 N -2.09 1.50 0.25 5.19 0.00 -1.20 -2.14 120.51 122.02 2jwn n ALA 96 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2jwn n ALA 96 Cb 0.34 -1.17 0.24 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.48 2.50 0.00 0.00 2.81 0.52 -4.55 117.12 116.92 2jwn n MET 97 Ca 0.03 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.63 2jwn n MET 97 Cb 0.12 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jwn n ASP 98 N 1.46 0.69 0.00 7.83 5.75 -0.91 -1.19 116.55 130.18 2jwn n ASP 98 Ca 0.20 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 2jwn n ASP 98 Cb 0.59 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2jwn n ASP 98 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2jwn n GLU 99 N 0.51 0.00 -2.38 0.11 2.13 -1.25 -4.58 120.64 115.19 2jwn n GLU 99 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 2jwn n GLU 99 Cb 0.13 -0.02 0.05 0.00 0.27 0.00 0.00 31.44 31.88 2jwn n GLU 99 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jwn s THR 100 N 0.00 2.60 -0.15 6.31 -4.23 -0.33 -4.90 115.64 114.95 2jwn s THR 100 Ca 0.00 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 2jwn s THR 100 Cb 0.00 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 2jwn s THR 100 CO 0.00 -0.07 0.01 0.54 -0.54 0.00 0.00 174.62 174.56 2jwn s VAL 101 N -3.06 4.34 -0.11 2.29 0.11 -1.26 -2.15 120.40 120.57 2jwn s VAL 101 Ca 0.58 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 2jwn s VAL 101 Cb -0.11 -2.91 0.02 0.00 -1.53 0.00 0.00 36.38 31.86 2jwn s VAL 101 CO 0.43 0.51 -0.12 0.12 -3.33 0.00 0.00 175.10 172.71 2jwn s PHE 102 N 0.05 1.75 -1.37 1.54 5.36 0.13 -4.75 117.98 120.70 2jwn s PHE 102 Ca 0.03 -0.84 -0.04 0.00 -0.96 0.00 0.00 56.93 55.11 2jwn s PHE 102 Cb -0.13 -1.32 0.02 0.00 -0.34 0.00 0.00 43.02 41.25 2jwn s PHE 102 CO 0.02 -0.48 0.31 -2.13 -1.46 0.00 0.00 175.22 171.47 2jwn n ARG 103 N 4.46 -3.24 -0.75 10.12 0.63 -1.26 -1.31 116.66 125.32 2jwn n ARG 103 Ca -0.17 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 2jwn n ARG 103 Cb 0.51 -5.43 0.00 0.00 0.45 0.00 0.00 32.46 27.99 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jwn n GLY 104 N -1.14 0.58 3.05 5.14 0.00 -1.26 -5.06 105.19 106.50 2jwn n GLY 104 Ca -0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.83 0.51 -0.18 1.61 1.70 -0.42 -4.81 118.95 116.52 2jwn s ARG 105 Ca 0.00 -0.69 -0.29 0.00 -0.47 0.00 0.00 55.73 54.28 2jwn s ARG 105 Cb 0.00 -0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.09 2jwn s ARG 105 CO 0.00 0.05 1.07 0.99 -1.08 0.00 0.00 175.30 176.33 2jwn s THR 106 N -1.23 4.63 0.46 4.99 2.01 -1.26 0.19 115.64 125.42 2jwn s THR 106 Ca -0.09 1.95 0.08 0.00 0.31 0.00 0.00 61.69 63.94 2jwn s THR 106 Cb -0.09 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.18 2jwn s THR 106 CO 0.00 -0.12 0.55 0.27 -0.69 0.00 0.00 174.62 174.64 2jwn s ILE 107 N 2.89 2.67 -0.10 1.82 -4.36 -0.91 -4.89 121.20 118.32 2jwn s ILE 107 Ca 0.47 -1.12 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 2jwn s ILE 107 Cb -0.17 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.76 2jwn s ILE 107 CO 0.11 0.00 -0.16 -0.75 0.24 0.00 0.00 174.94 174.38 2jwn s LYS 108 N -4.35 2.28 -0.17 0.37 2.47 -1.10 -3.79 119.74 115.46 2jwn s LYS 108 Ca 0.53 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 2jwn s LYS 108 Cb -0.07 -1.87 0.04 0.00 -1.46 0.00 0.00 37.83 34.47 2jwn s LYS 108 CO 0.32 0.00 -0.08 0.08 0.16 0.00 0.00 175.35 175.83 2jwn s VAL 109 N 0.79 1.36 0.00 4.02 1.01 -1.24 0.20 120.40 126.53 2jwn s VAL 109 Ca -0.11 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2jwn s VAL 109 Cb -0.16 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2jwn s VAL 109 CO 0.02 0.20 -0.03 -1.48 0.00 0.00 0.00 175.10 173.81 2jwn s LEU 110 N 1.53 2.04 0.32 3.92 -0.00 0.03 -4.28 118.68 122.24 2jwn s LEU 110 Ca 0.01 -0.11 -0.29 0.00 -0.00 0.00 0.00 54.13 53.74 2jwn s LEU 110 Cb -0.15 -0.09 -0.10 0.00 -0.00 0.00 0.00 46.19 45.84 2jwn s LEU 110 CO -0.08 -0.01 1.25 -2.16 -0.00 0.00 0.00 176.35 175.34 2jwn s PRO 111 N -0.25 4.44 0.09 1.48 0.04 -1.26 0.48 135.00 140.02 2jwn s PRO 111 Ca -0.01 2.10 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2jwn s PRO 111 Cb -0.02 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 2jwn s PRO 111 CO -0.00 -0.07 0.76 0.21 0.04 0.00 0.00 177.00 177.93 2jwn s LYS 112 N -1.70 4.50 0.33 4.56 2.20 0.53 -4.80 119.74 125.37 2jwn s LYS 112 Ca 0.48 1.08 0.09 0.00 -0.36 0.00 0.00 55.97 57.25 2jwn s LYS 112 Cb -0.38 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2jwn s LYS 112 CO 0.50 0.41 0.08 1.03 -0.36 0.00 0.00 175.35 177.01 2jwn s ARG 113 N -0.53 2.26 -0.37 4.03 0.52 -1.26 -4.00 118.95 119.60 2jwn s ARG 113 Ca 0.37 -1.61 -0.11 0.00 -0.52 0.00 0.00 55.73 53.86 2jwn s ARG 113 Cb -0.21 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.20 2jwn s ARG 113 CO 0.24 0.14 0.20 -0.08 0.02 0.00 0.00 175.30 175.83 2jwn s THR 114 N -2.45 4.61 -1.08 0.02 -1.32 -1.26 -4.85 115.64 109.31 2jwn s THR 114 Ca 0.36 -0.79 -0.22 0.00 -1.21 0.00 0.00 61.69 59.83 2jwn s THR 114 Cb -0.02 -3.54 0.03 0.00 -1.51 0.00 0.00 72.50 67.45 2jwn s THR 114 CO 0.21 -0.20 1.63 0.21 -2.21 0.00 0.00 174.62 174.27 2jwn s ASN 115 N 1.57 6.24 0.00 8.08 3.84 -1.26 -4.41 114.94 129.00 2jwn s ASN 115 Ca 0.02 -1.56 0.00 0.00 0.21 0.00 0.00 52.86 51.53 2jwn s ASN 115 Cb -0.19 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.94 2jwn s ASN 115 CO 0.07 -1.75 0.00 0.23 -2.79 0.00 0.00 177.10 172.85 2jwn n MET 116 N 8.73 0.00 -0.64 0.43 2.81 -1.26 -4.77 117.12 122.42 2jwn n MET 116 Ca 0.39 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.15 2jwn n MET 116 Cb 0.49 -0.44 0.08 0.00 -0.71 0.00 0.00 33.22 32.64 2jwn n MET 116 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jwn n PRO 117 N -2.90 1.64 -0.98 0.03 -0.05 -1.26 -4.49 135.00 126.98 2jwn n PRO 117 Ca 0.00 -1.49 -0.21 0.00 -0.05 0.00 0.00 63.50 61.75 2jwn n PRO 117 Cb 0.42 -1.58 0.06 0.00 -0.05 0.00 0.00 33.50 32.35 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2jwn n GLY 118 N -0.23 4.43 2.42 0.55 0.00 -1.26 -4.89 105.19 106.21 2jwn n GLY 118 Ca 0.30 -1.31 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2jwn n GLY 118 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jwn n ILE 119 N -0.11-11.32 0.05 -0.61 -0.00 -1.26 -4.97 119.36 101.13 2jwn n ILE 119 Ca 0.39 2.31 0.00 0.00 -0.00 0.00 0.00 62.75 65.45 2jwn n ILE 119 Cb 0.71 -6.10 -0.07 0.00 -0.00 0.00 0.00 39.64 34.18 2jwn n ILE 119 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2jwn h SER 120 N 3.37 0.00 -3.20 4.38 0.02 -1.90 -3.51 113.55 112.71 2jwn h SER 120 Ca -0.46 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2jwn h SER 120 Cb 1.03 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 2jwn h SER 120 CO 0.01 0.58 -0.31 -1.20 -1.14 0.00 0.00 176.83 174.78 2jwn n SER 121 N -2.94 -5.79 -4.41 3.07 7.64 -1.26 -4.62 113.62 105.31 2jwn n SER 121 Ca -0.08 0.91 -0.44 0.00 1.01 0.00 0.00 58.87 60.27 2jwn n SER 121 Cb 0.83 -2.57 -0.06 0.00 -1.01 0.00 0.00 64.21 61.40 2jwn n SER 121 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jwn s THR 122 N -1.54 4.93 -0.54 0.44 -4.23 -1.26 -5.01 115.64 108.43 2jwn s THR 122 Ca 0.00 -0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 59.46 2jwn s THR 122 Cb 0.00 -4.33 0.03 0.00 1.34 0.00 0.00 72.50 69.54 2jwn s THR 122 CO 0.00 -0.86 1.17 -0.62 -0.54 0.00 0.00 174.62 173.77 2jwn s ASP 123 N 2.97 6.53 0.00 3.99 2.15 -1.26 -5.34 116.67 125.71 2jwn s ASP 123 Ca 0.12 0.26 0.26 0.00 0.43 0.00 0.00 52.55 53.62 2jwn s ASP 123 Cb -0.22 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.45 2jwn s ASP 123 CO 0.09 -1.38 1.49 -1.14 -0.17 0.00 0.00 175.17 174.06