#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 2.05 -0.40 0.00 -5.25 -1.26 -5.07 121.20 111.28 2jwn s ILE 2 Ca 0.00 -1.01 0.01 0.00 -0.99 0.00 0.00 60.65 58.66 2jwn s ILE 2 Cb 0.00 -1.78 0.13 0.00 2.95 0.00 0.00 42.46 43.76 2jwn s ILE 2 CO 0.00 0.56 0.20 0.00 -1.79 0.00 0.00 174.94 173.91 2jwn s ALA 3 N 0.41 1.83 -0.25 2.27 0.00 -1.26 -5.09 121.76 119.66 2jwn s ALA 3 Ca -0.17 -2.27 -0.29 0.00 0.00 0.00 0.00 51.96 49.22 2jwn s ALA 3 Cb -0.18 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2jwn s ALA 3 CO 0.07 -1.98 1.63 -2.14 0.00 0.00 0.00 175.76 173.34 2jwn s PRO 4 N 0.75 3.71 -0.57 0.00 0.02 -1.26 -4.97 135.00 132.68 2jwn s PRO 4 Ca 0.16 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 2jwn s PRO 4 Cb -0.23 -4.06 0.07 0.00 0.02 0.00 0.00 34.50 30.30 2jwn s PRO 4 CO -0.05 -1.40 0.81 0.00 -0.33 0.00 0.00 177.00 176.03 2jwn s MET 6 N 3.35 0.53 0.02 0.00 0.00 -1.26 -4.79 119.30 117.15 2jwn s MET 6 Ca 0.20 0.37 -0.07 0.00 0.00 0.00 0.00 55.69 56.19 2jwn s MET 6 Cb -0.18 0.25 -0.00 0.00 0.00 0.00 0.00 34.83 34.90 2jwn s MET 6 CO 0.12 -0.12 0.14 1.14 0.00 0.00 0.00 175.02 176.31 2jwn s GLN 7 N -0.40 0.56 -0.07 4.11 -2.07 -1.26 -5.17 119.66 115.36 2jwn s GLN 7 Ca 0.01 -0.55 -0.09 0.00 -1.82 0.00 0.00 55.36 52.92 2jwn s GLN 7 Cb -0.03 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.14 2jwn s GLN 7 CO -0.03 -0.14 0.23 -0.08 -1.32 0.00 0.00 175.29 173.95 2jwn s THR 8 N -1.97 0.02 0.23 3.63 -1.32 -1.26 -4.82 115.64 110.15 2jwn s THR 8 Ca -0.10 -0.17 0.05 0.00 -1.21 0.00 0.00 61.69 60.26 2jwn s THR 8 Cb -0.04 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2jwn s THR 8 CO -0.01 -0.09 0.20 0.35 -2.21 0.00 0.00 174.62 172.85 2jwn n THR 9 N 2.50 0.00 -3.47 5.08 -2.24 -1.26 -5.17 114.28 109.72 2jwn n THR 9 Ca -0.15 -1.63 -0.12 0.00 -2.27 0.00 0.00 64.05 59.88 2jwn n THR 9 Cb 0.58 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 2jwn n THR 9 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2jwn s HIS 10 N -2.96 -0.63 0.00 4.78 -3.43 -1.26 -5.00 115.29 106.79 2jwn s HIS 10 Ca 0.27 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 2jwn s HIS 10 Cb 0.01 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.11 2jwn s HIS 10 CO 0.19 -0.61 0.00 -1.13 -2.00 0.00 0.00 174.74 171.19 2jwn n SER 11 N 5.35 0.00 -3.51 7.38 3.41 -1.26 -5.10 113.62 119.90 2jwn n SER 11 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.44 2jwn n SER 11 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 2jwn n SER 11 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2jwn s LYS 12 N 0.00 0.93 -0.36 4.33 -2.85 -1.26 -5.12 119.74 115.41 2jwn s LYS 12 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 2jwn s LYS 12 Cb 0.00 0.43 0.12 0.00 -2.06 0.00 0.00 37.83 36.32 2jwn s LYS 12 CO 0.00 -0.35 0.16 0.00 0.10 0.00 0.00 175.35 175.26 2jwn s MET 13 N -2.30 0.85 -0.19 1.78 0.23 -1.26 -5.02 119.30 113.39 2jwn s MET 13 Ca -0.02 -1.39 -0.18 0.00 -1.03 0.00 0.00 55.69 53.07 2jwn s MET 13 Cb -0.01 -1.96 0.05 0.00 -1.53 0.00 0.00 34.83 31.39 2jwn s MET 13 CO -0.03 -1.08 0.52 0.99 -2.03 0.00 0.00 175.02 173.39 2jwn s THR 14 N 1.14 0.00 0.07 3.16 2.01 -1.26 -4.51 115.64 116.25 2jwn s THR 14 Ca 0.14 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2jwn s THR 14 Cb -0.20 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2jwn s THR 14 CO -0.13 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.79 2jwn n ALA 15 N 2.73 -0.80 0.00 7.40 0.00 0.33 -4.97 120.51 125.20 2jwn n ALA 15 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jwn n ALA 15 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2jwn n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jwn n GLY 16 N -1.26 2.49 1.88 0.00 0.00 -1.26 -4.87 105.19 102.17 2jwn n GLY 16 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2jwn n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jwn n ALA 17 N 0.81 -0.22 -3.70 4.61 0.00 -1.26 -5.04 120.51 115.71 2jwn n ALA 17 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 2jwn n ALA 17 Cb 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 2jwn n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jwn s TYR 18 N -1.76 -0.49 0.15 0.00 5.04 -1.26 -5.16 117.35 113.87 2jwn s TYR 18 Ca 0.34 1.08 0.04 0.00 -2.44 0.00 0.00 57.07 56.08 2jwn s TYR 18 Cb -0.01 0.13 -0.04 0.00 0.35 0.00 0.00 41.96 42.39 2jwn s TYR 18 CO 0.23 -0.32 0.20 0.99 -1.34 0.00 0.00 175.55 175.31 2jwn s THR 19 N 1.71 4.91 0.00 4.34 2.01 -1.26 -5.06 115.64 122.30 2jwn s THR 19 Ca -0.06 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.09 2jwn s THR 19 Cb -0.10 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.90 2jwn s THR 19 CO -0.10 -0.08 0.00 -0.62 -0.69 0.00 0.00 174.62 173.13 2jwn n GLU 20 N -0.36 0.00 0.00 4.92 1.02 -1.26 -5.17 120.64 119.79 2jwn n GLU 20 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2jwn n GLU 20 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 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 2.42 0.11 0.30 0.62 0.00 -1.26 -4.80 105.19 102.58 2jwn n GLY 21 Ca 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 0.55 -6.15 1.61 0.11 -2.08 -3.46 132.00 122.58 2jwn h PRO 22 Ca 0.00 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 65.44 2jwn h PRO 22 Cb 0.00 -0.12 0.13 0.00 0.11 0.00 0.00 31.00 31.11 2jwn h PRO 22 CO 0.00 0.36 -0.46 -0.35 -0.21 0.00 0.00 178.00 177.35 2jwn n PRO 23 N -4.91 0.37 -1.66 1.05 -0.04 -1.26 -4.83 135.00 123.72 2jwn n PRO 23 Ca 0.16 0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 63.30 2jwn n PRO 23 Cb 0.43 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2jwn n PRO 23 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jwn n GLN 24 N 0.92 1.90 -0.96 0.54 1.13 -1.26 -4.96 117.38 114.69 2jwn n GLN 24 Ca 0.14 0.68 -0.18 0.00 -1.94 0.00 0.00 57.00 55.69 2jwn n GLN 24 Cb 0.32 -2.31 0.14 0.00 0.11 0.00 0.00 30.24 28.49 2jwn n GLN 24 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2jwn n PRO 25 N 2.04 -1.42 -4.04 -1.09 -0.04 -1.26 -5.11 135.00 124.08 2jwn n PRO 25 Ca 0.12 -1.19 -0.10 0.00 -0.04 0.00 0.00 63.50 62.29 2jwn n PRO 25 Cb 0.30 -0.91 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 2jwn n PRO 25 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2jwn s LEU 26 N 0.00 1.15 0.65 1.53 -0.00 -1.26 -5.17 118.68 115.59 2jwn s LEU 26 Ca 0.45 -1.02 -0.09 0.00 -0.00 0.00 0.00 54.13 53.47 2jwn s LEU 26 Cb -0.02 0.91 0.01 0.00 -0.00 0.00 0.00 46.19 47.08 2jwn s LEU 26 CO 0.33 -0.86 1.01 -0.55 -0.00 0.00 0.00 176.35 176.28 2jwn s SER 27 N -3.01 5.57 0.24 1.48 0.15 -1.26 -4.88 113.70 111.98 2jwn s SER 27 Ca 0.22 0.99 -0.07 0.00 0.70 0.00 0.00 55.95 57.78 2jwn s SER 27 Cb 0.05 -1.89 0.42 0.00 -1.71 0.00 0.00 66.02 62.89 2jwn s SER 27 CO 0.02 -1.19 1.67 0.00 1.20 0.00 0.00 173.24 174.95 2jwn h ALA 28 N -0.43 0.83 -0.22 5.45 0.00 -2.02 -0.61 119.26 122.27 2jwn h ALA 28 Ca -0.45 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2jwn h ALA 28 Cb 1.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jwn h ALA 28 CO 0.62 -0.37 -0.05 0.93 0.00 0.00 0.00 179.25 180.38 2jwn h GLU 29 N 0.20 0.34 -0.59 0.00 4.39 -1.99 0.54 114.58 117.46 2jwn h GLU 29 Ca 0.39 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 2jwn h GLU 29 Cb 0.67 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2jwn h GLU 29 CO -0.54 0.41 0.15 0.93 -1.16 0.00 0.00 179.01 178.80 2jwn h GLU 30 N 0.33 0.91 -0.26 2.33 3.07 -1.49 -2.26 114.58 117.20 2jwn h GLU 30 Ca 0.07 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 2jwn h GLU 30 Cb 0.30 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2jwn h GLU 30 CO 0.01 0.81 -0.11 0.87 -1.40 0.00 0.00 179.01 179.19 2jwn h LYS 31 N 0.88 0.53 -0.43 2.33 1.57 -0.41 -1.36 116.57 119.67 2jwn h LYS 31 Ca 0.19 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2jwn h LYS 31 Cb 0.31 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 2jwn h LYS 31 CO -0.00 0.78 0.04 0.87 -0.57 0.00 0.00 179.45 180.57 2jwn h LYS 32 N 0.27 0.16 -0.18 3.15 1.79 -0.75 -0.34 116.57 120.66 2jwn h LYS 32 Ca 0.06 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.36 2jwn h LYS 32 Cb 0.61 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2jwn h LYS 32 CO 0.03 0.10 -0.52 0.93 -1.08 0.00 0.00 179.45 178.92 2jwn h GLU 33 N 0.16 0.67 -0.17 3.15 5.08 -1.28 -3.08 114.58 119.11 2jwn h GLU 33 Ca 0.22 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2jwn h GLU 33 Cb 0.29 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jwn h GLU 33 CO -0.32 1.10 -0.42 -0.84 -1.00 0.00 0.00 179.01 177.54 2jwn h ILE 34 N 0.36 1.31 -0.74 3.13 3.07 -1.03 -2.97 117.51 120.64 2jwn h ILE 34 Ca -0.01 -1.56 -0.03 0.00 1.55 0.00 0.00 64.86 64.80 2jwn h ILE 34 Cb 1.14 1.64 -0.03 0.00 -0.27 0.00 0.00 36.82 39.29 2jwn h ILE 34 CO 0.11 0.48 0.34 -0.78 -1.05 0.00 0.00 178.15 177.25 2jwn h ASP 35 N 0.32 0.96 0.83 2.16 3.58 -1.07 -2.76 116.42 120.44 2jwn h ASP 35 Ca 0.03 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2jwn h ASP 35 Cb 0.87 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2jwn h ASP 35 CO 0.07 0.82 0.00 0.11 -2.88 0.00 0.00 179.24 177.36 2jwn h LYS 36 N 1.05 0.00 -0.21 0.28 1.57 -1.43 -2.77 116.57 115.06 2jwn h LYS 36 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2jwn h LYS 36 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jwn h LYS 36 CO -0.03 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.74 2jwn n ARG 37 N -2.47 2.63 -3.96 3.15 1.85 -1.05 -4.77 116.66 112.05 2jwn n ARG 37 Ca 0.02 -2.48 -0.21 0.00 -1.00 0.00 0.00 57.85 54.17 2jwn n ARG 37 Cb 0.26 -1.57 -0.02 0.00 -1.05 0.00 0.00 32.46 30.08 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jwn s SER 38 N -1.79 6.32 0.12 2.89 0.15 -1.04 -0.33 113.70 120.01 2jwn s SER 38 Ca 0.32 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 57.04 2jwn s SER 38 Cb 0.25 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 2jwn s SER 38 CO 0.09 -0.07 0.03 0.68 1.20 0.00 0.00 173.24 175.17 2jwn s VAL 39 N -1.97 0.16 -0.12 4.45 -7.23 -0.41 -0.34 120.40 114.94 2jwn s VAL 39 Ca 0.34 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2jwn s VAL 39 Cb -0.09 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.91 2jwn s VAL 39 CO 0.29 -0.58 -0.21 -0.47 -0.31 0.00 0.00 175.10 173.82 2jwn s TYR 40 N -4.00 2.64 -0.23 2.82 5.04 0.21 -1.52 117.35 122.31 2jwn s TYR 40 Ca 0.20 -1.07 -0.01 0.00 -2.44 0.00 0.00 57.07 53.76 2jwn s TYR 40 Cb 0.07 -1.77 0.02 0.00 0.35 0.00 0.00 41.96 40.64 2jwn s TYR 40 CO -0.01 -0.44 -0.10 0.08 -1.34 0.00 0.00 175.55 173.74 2jwn s VAL 41 N 0.50 2.64 0.50 3.14 1.01 0.33 -0.02 120.40 128.50 2jwn s VAL 41 Ca -0.14 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2jwn s VAL 41 Cb -0.17 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2jwn s VAL 41 CO 0.05 0.30 0.22 -0.83 0.00 0.00 0.00 175.10 174.85 2jwn s GLY 42 N 1.31 2.58 0.00 4.51 0.00 0.14 0.54 107.32 116.40 2jwn s GLY 42 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2jwn s GLY 42 CO -0.07 -2.02 0.00 -2.01 0.00 0.00 0.00 173.10 169.00 2jwn n ASN 43 N -1.48 -4.03 -4.46 1.64 5.15 -1.19 -2.68 115.26 108.21 2jwn n ASN 43 Ca -0.07 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.47 2jwn n ASN 43 Cb 0.65 -2.11 -0.05 0.00 -0.53 0.00 0.00 39.78 37.74 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 -1.55 4.66 -0.35 3.44 0.11 -1.13 -4.91 120.40 120.67 2jwn s VAL 44 Ca 0.00 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2jwn s VAL 44 Cb 0.00 -4.43 0.09 0.00 -1.53 0.00 0.00 36.38 30.51 2jwn s VAL 44 CO 0.00 -1.00 0.07 -1.81 -3.33 0.00 0.00 175.10 169.03 2jwn s ASP 45 N 2.94 4.91 0.29 3.54 1.01 -1.26 -2.96 116.67 125.13 2jwn s ASP 45 Ca 0.20 -1.87 0.00 0.00 0.71 0.00 0.00 52.55 51.59 2jwn s ASP 45 Cb -0.17 -1.70 0.00 0.00 1.01 0.00 0.00 42.92 42.06 2jwn s ASP 45 CO 0.13 -0.39 0.00 -1.22 0.21 0.00 0.00 175.17 173.90 2jwn n TYR 46 N 4.45 -2.22 0.00 4.23 4.02 -1.26 -4.81 117.16 121.57 2jwn n TYR 46 Ca -0.03 0.49 0.00 0.00 -0.01 0.00 0.00 57.90 58.35 2jwn n TYR 46 Cb 0.42 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 2jwn n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jwn n GLY 47 N -1.31 1.69 3.81 2.72 0.00 -1.26 -4.90 105.19 105.94 2jwn n GLY 47 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 7.08 0.53 1.61 0.01 -1.26 -5.07 113.70 116.60 2jwn s SER 48 Ca 0.00 1.41 0.03 0.00 1.31 0.00 0.00 55.95 58.70 2jwn s SER 48 Cb 0.00 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.83 2jwn s SER 48 CO 0.00 0.08 0.21 0.42 0.41 0.00 0.00 173.24 174.36 2jwn s THR 49 N -1.43 1.38 0.21 1.44 -4.23 -1.26 -4.99 115.64 106.75 2jwn s THR 49 Ca 0.40 -1.74 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 2jwn s THR 49 Cb -0.18 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.69 2jwn s THR 49 CO 0.21 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.15 2jwn h ALA 50 N 1.03 0.91 -0.59 3.99 0.00 -1.99 -1.48 119.26 121.13 2jwn h ALA 50 Ca -0.40 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2jwn h ALA 50 Cb 1.31 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2jwn h ALA 50 CO 0.65 0.23 0.31 1.96 0.00 0.00 0.00 179.25 182.41 2jwn h GLN 51 N 0.88 0.57 -0.70 0.00 4.20 -1.98 0.23 115.11 118.30 2jwn h GLN 51 Ca 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2jwn h GLN 51 Cb -0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2jwn h GLN 51 CO -0.10 0.38 0.41 -0.44 -0.67 0.00 0.00 178.83 178.41 2jwn h ASP 52 N 0.59 0.86 -0.10 1.46 3.32 -1.80 -1.58 116.42 119.17 2jwn h ASP 52 Ca 0.26 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2jwn h ASP 52 Cb 0.16 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2jwn h ASP 52 CO -0.17 0.68 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.86 2jwn h LEU 53 N 0.96 0.27 0.02 1.55 3.38 -0.75 -2.36 115.31 118.37 2jwn h LEU 53 Ca 0.25 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2jwn h LEU 53 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jwn h LEU 53 CO -0.04 0.70 -0.04 -0.08 0.09 0.00 0.00 178.44 179.07 2jwn h GLU 54 N -0.16 -0.08 -0.49 1.13 4.81 -0.47 -0.85 114.58 118.47 2jwn h GLU 54 Ca 0.02 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2jwn h GLU 54 Cb 0.63 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 2jwn h GLU 54 CO 0.03 -0.05 0.21 0.00 -0.73 0.00 0.00 179.01 178.46 2jwn h ALA 55 N 0.90 0.61 -0.46 2.92 0.00 -1.31 0.76 119.26 122.68 2jwn h ALA 55 Ca 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2jwn h ALA 55 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jwn h ALA 55 CO -0.03 -0.17 -0.16 1.25 0.00 0.00 0.00 179.25 180.14 2jwn h HIS 56 N 0.41 0.99 0.00 0.00 -0.00 -1.22 -2.40 115.15 112.92 2jwn h HIS 56 Ca 0.23 -0.21 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 2jwn h HIS 56 Cb 0.19 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2jwn h HIS 56 CO -0.13 0.97 -0.35 0.74 -0.00 0.00 0.00 177.93 179.15 2jwn h PHE 57 N 0.78 0.00 0.00 5.26 0.04 -0.48 -3.29 116.94 119.25 2jwn h PHE 57 Ca 0.12 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2jwn h PHE 57 Cb 0.69 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2jwn h PHE 57 CO 0.04 0.11 -0.21 0.77 -0.60 0.00 0.00 178.31 178.42 2jwn h SER 58 N 0.00 0.00 -0.08 2.17 0.02 0.10 0.24 113.55 116.01 2jwn h SER 58 Ca -0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jwn h SER 58 Cb 1.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 2jwn h SER 58 CO 0.01 0.21 0.09 0.28 -1.14 0.00 0.00 176.83 176.29 2jwn h SER 59 N 0.00 0.00 -0.16 3.07 0.02 -1.60 -1.52 113.55 113.35 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 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 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 0.84 -0.57 0.08 0.00 0.00 -0.57 -4.32 105.19 100.64 2jwn n GLY 61 Ca 0.11 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 2jwn n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jwn h SER 62 N 0.00 -0.09 -0.02 1.61 0.02 -1.86 -3.36 113.55 109.85 2jwn h SER 62 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jwn h SER 62 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jwn h SER 62 CO 0.00 0.34 0.00 -0.38 -1.14 0.00 0.00 176.83 175.65 2jwn n ILE 63 N -4.55 -0.02 -0.11 3.27 5.41 -1.26 -4.86 119.36 117.24 2jwn n ILE 63 Ca -0.01 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.56 2jwn n ILE 63 Cb 0.04 -0.02 -0.13 0.00 -0.71 0.00 0.00 39.64 38.83 2jwn n ILE 63 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2jwn n ASN 64 N 0.00 1.85 -3.71 4.38 3.02 0.14 -4.74 115.26 116.21 2jwn n ASN 64 Ca 0.00 -0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 2jwn n ASN 64 Cb 0.00 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jwn s ARG 65 N -2.52 0.98 -0.07 3.52 0.52 -0.69 -5.01 118.95 115.68 2jwn s ARG 65 Ca -0.31 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.02 2jwn s ARG 65 Cb 0.08 0.42 0.02 0.00 0.52 0.00 0.00 34.95 36.00 2jwn s ARG 65 CO 0.64 -0.36 0.28 0.96 0.02 0.00 0.00 175.30 176.85 2jwn s ILE 66 N -3.70 0.03 -0.03 1.52 -4.36 -1.26 0.23 121.20 113.64 2jwn s ILE 66 Ca 0.03 -0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.24 2jwn s ILE 66 Cb 0.03 -0.49 -0.01 0.00 1.25 0.00 0.00 42.46 43.23 2jwn s ILE 66 CO -0.11 -0.13 -0.21 0.42 0.24 0.00 0.00 174.94 175.15 2jwn s THR 67 N -0.52 1.69 -0.15 8.37 -4.23 0.14 -4.94 115.64 116.01 2jwn s THR 67 Ca -0.06 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2jwn s THR 67 Cb -0.04 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.42 2jwn s THR 67 CO 0.02 0.48 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.90 2jwn s ILE 68 N -0.38 1.01 -0.13 2.99 1.09 -1.26 -0.41 121.20 124.11 2jwn s ILE 68 Ca 0.05 -0.49 0.03 0.00 -1.10 0.00 0.00 60.65 59.13 2jwn s ILE 68 Cb -0.09 -1.17 0.01 0.00 -1.06 0.00 0.00 42.46 40.15 2jwn s ILE 68 CO 0.00 0.18 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.32 2jwn s LEU 69 N 1.69 2.07 -0.09 2.97 2.34 0.77 -4.98 118.68 123.43 2jwn s LEU 69 Ca 0.02 -0.58 0.02 0.00 0.06 0.00 0.00 54.13 53.65 2jwn s LEU 69 Cb -0.14 -1.40 -0.02 0.00 -0.56 0.00 0.00 46.19 44.07 2jwn s LEU 69 CO -0.08 0.08 -0.16 0.00 -1.06 0.00 0.00 176.35 175.13 2jwn s ASP 71 N -0.03 3.24 -0.03 0.00 -4.77 -0.77 -4.89 116.67 109.43 2jwn s ASP 71 Ca -0.04 -0.54 0.04 0.00 -3.30 0.00 0.00 52.55 48.70 2jwn s ASP 71 Cb -0.14 -1.46 0.06 0.00 -1.09 0.00 0.00 42.92 40.29 2jwn s ASP 71 CO 0.04 0.13 1.00 1.17 0.70 0.00 0.00 175.17 178.21 2jwn n LYS 72 N 3.75 2.46 0.31 2.11 4.81 -1.26 0.39 118.16 130.72 2jwn n LYS 72 Ca -0.19 -1.66 0.18 0.00 -0.87 0.00 0.00 58.31 55.77 2jwn n LYS 72 Cb 0.52 -1.07 0.98 0.00 0.02 0.00 0.00 35.03 35.48 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 -0.21 5.64 -5.15 -1.93 0.68 116.94 115.97 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 0.64 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.81 2jwn h PHE 73 CO 0.00 0.03 0.00 0.45 -2.00 0.00 0.00 178.31 176.79 2jwn n SER 74 N -3.35 1.88 0.00 -0.68 2.88 -1.26 -4.95 113.62 108.14 2jwn n SER 74 Ca -0.02 -1.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 2jwn n SER 74 Cb 0.15 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.16 2.92 3.81 0.46 0.00 0.23 -5.01 105.19 108.76 2jwn n GLY 75 Ca 0.16 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 3.60 -0.25 1.61 3.76 -1.26 -4.94 115.29 117.81 2jwn s HIS 76 Ca 0.00 0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 55.34 2jwn s HIS 76 Cb 0.00 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.49 2jwn s HIS 76 CO 0.00 0.53 1.07 -1.25 -0.85 0.00 0.00 174.74 174.24 2jwn s PRO 77 N -0.52 4.20 0.00 8.40 0.04 -1.26 -4.26 135.00 141.61 2jwn s PRO 77 Ca 0.19 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2jwn s PRO 77 Cb -0.14 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.72 2jwn s PRO 77 CO 0.07 -0.71 0.00 1.63 0.04 0.00 0.00 177.00 178.03 2jwn n LYS 78 N 6.50 2.50 0.00 4.56 5.02 0.16 -4.53 118.16 132.38 2jwn n LYS 78 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2jwn n LYS 78 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 2jwn n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jwn n GLY 79 N 5.00 1.28 3.45 0.72 0.00 -1.16 -1.86 105.19 112.63 2jwn n GLY 79 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 2jwn n GLY 79 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jwn s TYR 80 N -2.00 -0.54 0.05 1.61 1.13 0.24 -2.85 117.35 114.98 2jwn s TYR 80 Ca 0.00 0.70 0.01 0.00 -1.41 0.00 0.00 57.07 56.38 2jwn s TYR 80 Cb 0.00 0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 2jwn s TYR 80 CO 0.00 -0.67 -0.06 0.00 -2.51 0.00 0.00 175.55 172.30 2jwn s ALA 81 N -2.21 0.58 -0.11 9.51 0.00 0.19 -0.17 121.76 129.56 2jwn s ALA 81 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2jwn s ALA 81 Cb -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2jwn s ALA 81 CO 0.01 -0.12 -0.21 0.71 0.00 0.00 0.00 175.76 176.15 2jwn s TYR 82 N -2.08 2.63 -0.30 0.00 1.51 0.45 0.12 117.35 119.69 2jwn s TYR 82 Ca -0.05 -0.92 -0.05 0.00 -1.01 0.00 0.00 57.07 55.04 2jwn s TYR 82 Cb -0.05 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 2jwn s TYR 82 CO -0.02 -0.35 0.04 0.42 -1.11 0.00 0.00 175.55 174.53 2jwn s ILE 83 N 0.34 3.49 -0.26 2.71 -1.09 -0.58 0.27 121.20 126.07 2jwn s ILE 83 Ca -0.16 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.07 2jwn s ILE 83 Cb -0.17 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 2jwn s ILE 83 CO 0.08 -0.01 0.41 -1.61 -1.23 0.00 0.00 174.94 172.58 2jwn s GLU 84 N 1.39 4.04 0.45 2.79 8.01 0.14 -1.29 118.70 134.22 2jwn s GLU 84 Ca -0.01 0.12 -0.00 0.00 0.01 0.00 0.00 54.97 55.09 2jwn s GLU 84 Cb -0.18 -3.65 -0.01 0.00 -4.31 0.00 0.00 34.13 25.98 2jwn s GLU 84 CO 0.00 -0.28 0.68 -0.06 0.01 0.00 0.00 175.26 175.61 2jwn s PHE 85 N 2.09 3.25 -0.47 1.61 0.08 0.55 0.27 117.98 125.35 2jwn s PHE 85 Ca 0.17 0.27 0.24 0.00 0.12 0.00 0.00 56.93 57.72 2jwn s PHE 85 Cb -0.16 -2.31 0.31 0.00 -0.57 0.00 0.00 43.02 40.29 2jwn s PHE 85 CO 0.10 -0.36 1.40 0.00 -0.10 0.00 0.00 175.22 176.26 2jwn h ALA 86 N 0.38 0.75 -4.23 5.36 0.00 -1.85 -3.40 119.26 116.27 2jwn h ALA 86 Ca -0.46 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.75 2jwn h ALA 86 Cb 1.25 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.78 2jwn h ALA 86 CO 0.58 0.00 -0.83 -1.21 0.00 0.00 0.00 179.25 177.79 2jwn s GLU 87 N -3.23 2.18 0.23 0.00 8.01 -1.26 -5.01 118.70 119.61 2jwn s GLU 87 Ca 0.05 -0.89 0.10 0.00 0.01 0.00 0.00 54.97 54.24 2jwn s GLU 87 Cb 0.09 -2.17 0.16 0.00 -4.31 0.00 0.00 34.13 27.90 2jwn s GLU 87 CO 0.71 0.57 1.49 -0.09 0.01 0.00 0.00 175.26 177.95 2jwn h ARG 88 N 5.11 0.00 0.00 1.61 1.12 -1.89 -2.85 114.38 117.49 2jwn h ARG 88 Ca -0.46 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.37 2jwn h ARG 88 Cb 1.14 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 2jwn h ARG 88 CO 0.48 0.73 -0.18 -0.91 -3.11 0.00 0.00 179.97 176.97 2jwn h ASN 89 N 0.00 0.00 -0.02 -3.80 4.21 -1.95 -2.87 115.58 111.15 2jwn h ASN 89 Ca -0.01 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.33 2jwn h ASN 89 Cb 1.34 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.54 2jwn h ASN 89 CO 0.10 0.18 -0.59 0.28 -1.29 0.00 0.00 177.43 176.11 2jwn h SER 90 N 0.00 0.70 -0.49 5.81 0.02 -1.69 -0.97 113.55 116.92 2jwn h SER 90 Ca -0.00 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 2jwn h SER 90 Cb 0.53 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2jwn h SER 90 CO 0.02 1.13 -0.01 1.62 -1.14 0.00 0.00 176.83 178.45 2jwn h VAL 91 N 0.47 1.26 -0.79 2.27 3.04 -1.56 0.67 116.25 121.61 2jwn h VAL 91 Ca -0.00 -1.11 0.03 0.00 -1.01 0.00 0.00 66.70 64.61 2jwn h VAL 91 Cb 1.16 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 2jwn h VAL 91 CO 0.11 0.39 0.52 -0.78 -1.01 0.00 0.00 177.57 176.81 2jwn h ASP 92 N 0.86 0.85 0.53 3.17 3.58 -1.31 0.22 116.42 124.32 2jwn h ASP 92 Ca 0.16 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.44 2jwn h ASP 92 Cb 0.53 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2jwn h ASP 92 CO 0.03 0.59 -0.70 0.00 -2.88 0.00 0.00 179.24 176.28 2jwn h ALA 93 N 1.53 0.78 0.02 -0.78 0.00 -0.59 -3.25 119.26 116.98 2jwn h ALA 93 Ca 0.31 -0.61 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 2jwn h ALA 93 Cb 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jwn h ALA 93 CO -0.08 0.82 -0.97 0.00 0.00 0.00 0.00 179.25 179.01 2jwn h ALA 94 N 1.19 0.08 0.00 0.00 0.00 0.27 -3.18 119.26 117.63 2jwn h ALA 94 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2jwn h ALA 94 Cb 1.24 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jwn h ALA 94 CO 0.10 0.60 -0.01 -0.39 0.00 0.00 0.00 179.25 179.55 2jwn h VAL 95 N 0.23 0.21 0.00 0.00 -1.51 -0.69 0.17 116.25 114.66 2jwn h VAL 95 Ca -0.13 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2jwn h VAL 95 Cb 1.64 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2jwn h VAL 95 CO 0.19 0.01 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 2jwn n ALA 96 N -2.17 1.67 -0.06 5.19 0.00 -1.20 -1.32 120.51 122.63 2jwn n ALA 96 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2jwn n ALA 96 Cb 0.10 -1.27 0.12 0.00 0.00 0.00 0.00 19.45 18.41 2jwn n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jwn n MET 97 N -1.65 2.44 -0.31 0.00 1.56 0.04 -4.75 117.12 114.46 2jwn n MET 97 Ca 0.03 -1.85 0.15 0.00 -0.27 0.00 0.00 57.70 55.76 2jwn n MET 97 Cb 0.18 -1.24 0.32 0.00 2.15 0.00 0.00 33.22 34.64 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 2jwn h ASP 98 N 1.91 -0.01 -3.64 6.12 2.03 -1.17 -3.21 116.42 118.45 2jwn h ASP 98 Ca 0.00 0.21 -0.64 0.00 -0.73 0.00 0.00 57.03 55.87 2jwn h ASP 98 Cb 0.66 0.29 -0.40 0.00 -0.83 0.00 0.00 39.33 39.05 2jwn h ASP 98 CO 0.00 -0.20 -0.72 -0.70 -1.03 0.00 0.00 179.24 176.59 2jwn s GLU 99 N -5.90 1.36 0.25 4.15 2.12 -1.26 -0.76 118.70 118.66 2jwn s GLU 99 Ca -0.12 -1.79 0.02 0.00 0.36 0.00 0.00 54.97 53.44 2jwn s GLU 99 Cb 0.27 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 2jwn s GLU 99 CO 0.77 -0.97 0.18 0.95 -0.54 0.00 0.00 175.26 175.65 2jwn s THR 100 N 0.92 0.00 -0.30 -1.70 -4.23 -1.17 -4.85 115.64 104.30 2jwn s THR 100 Ca 0.12 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2jwn s THR 100 Cb -0.20 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.17 2jwn s THR 100 CO -0.11 0.00 0.04 0.54 -0.54 0.00 0.00 174.62 174.55 2jwn s VAL 101 N -3.91 3.47 -0.12 2.29 0.11 -1.26 -0.76 120.40 120.23 2jwn s VAL 101 Ca 0.40 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 2jwn s VAL 101 Cb 0.05 -2.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.04 2jwn s VAL 101 CO 0.18 -0.00 -0.21 0.12 -3.33 0.00 0.00 175.10 171.86 2jwn s PHE 102 N 1.38 2.44 -1.60 1.54 2.19 0.16 -4.63 117.98 119.47 2jwn s PHE 102 Ca -0.01 -1.15 -0.03 0.00 0.33 0.00 0.00 56.93 56.07 2jwn s PHE 102 Cb -0.18 -1.67 0.01 0.00 -1.31 0.00 0.00 43.02 39.86 2jwn s PHE 102 CO 0.00 -0.52 0.36 -2.13 1.83 0.00 0.00 175.22 174.76 2jwn n ARG 103 N 3.95 -3.59 -0.99 10.12 0.63 -1.26 -1.37 116.66 124.15 2jwn n ARG 103 Ca -0.20 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2jwn n ARG 103 Cb 0.52 -5.68 0.00 0.00 0.45 0.00 0.00 32.46 27.75 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 -1.30 0.90 3.30 5.14 0.00 -1.26 -5.01 105.19 106.96 2jwn n GLY 104 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 1.17 -0.23 1.61 1.70 -0.47 -5.07 118.95 117.62 2jwn s ARG 105 Ca 0.00 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.67 2jwn s ARG 105 Cb 0.00 -1.24 0.01 0.00 -0.57 0.00 0.00 34.95 33.15 2jwn s ARG 105 CO 0.00 0.26 1.05 0.99 -1.08 0.00 0.00 175.30 176.52 2jwn s THR 106 N -1.83 4.65 0.23 4.99 2.01 -1.26 0.41 115.64 124.83 2jwn s THR 106 Ca 0.12 1.98 0.06 0.00 0.31 0.00 0.00 61.69 64.15 2jwn s THR 106 Cb -0.07 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2jwn s THR 106 CO 0.05 -0.20 0.27 0.27 -0.69 0.00 0.00 174.62 174.32 2jwn s ILE 107 N 3.25 4.88 -0.09 1.82 -5.25 0.06 -4.77 121.20 121.10 2jwn s ILE 107 Ca 0.45 -1.13 0.03 0.00 -0.99 0.00 0.00 60.65 59.01 2jwn s ILE 107 Cb -0.15 -3.62 0.01 0.00 2.95 0.00 0.00 42.46 41.65 2jwn s ILE 107 CO 0.07 -0.29 -0.19 -0.75 -1.79 0.00 0.00 174.94 171.99 2jwn s LYS 108 N -3.77 2.50 -0.12 0.37 2.47 -1.09 -3.05 119.74 117.04 2jwn s LYS 108 Ca 0.33 -0.69 0.02 0.00 -1.56 0.00 0.00 55.97 54.08 2jwn s LYS 108 Cb -0.09 -1.94 -0.00 0.00 -1.46 0.00 0.00 37.83 34.34 2jwn s LYS 108 CO 0.27 0.11 -0.21 0.08 0.16 0.00 0.00 175.35 175.77 2jwn s VAL 109 N 0.48 2.30 0.00 4.02 1.01 0.06 0.27 120.40 128.54 2jwn s VAL 109 Ca -0.17 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 60.95 2jwn s VAL 109 Cb -0.17 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2jwn s VAL 109 CO 0.07 0.55 -0.19 -0.76 0.00 0.00 0.00 175.10 174.76 2jwn s LEU 110 N 0.52 2.07 0.20 3.92 1.43 0.97 -4.53 118.68 123.27 2jwn s LEU 110 Ca -0.13 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2jwn s LEU 110 Cb -0.17 -0.96 -0.08 0.00 0.03 0.00 0.00 46.19 45.02 2jwn s LEU 110 CO 0.05 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.75 2jwn s PRO 111 N -0.64 4.64 -0.27 1.29 0.04 -1.26 0.63 135.00 139.42 2jwn s PRO 111 Ca 0.07 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2jwn s PRO 111 Cb -0.08 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2jwn s PRO 111 CO -0.00 0.16 0.29 0.21 0.04 0.00 0.00 177.00 177.69 2jwn s LYS 112 N -0.63 3.99 0.00 4.56 2.47 0.54 -4.32 119.74 126.35 2jwn s LYS 112 Ca 0.47 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.76 2jwn s LYS 112 Cb -0.29 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.43 2jwn s LYS 112 CO 0.35 -0.22 0.00 -2.13 0.16 0.00 0.00 175.35 173.51 2jwn n ARG 113 N 5.17 0.00 -2.99 4.03 0.63 -1.25 -3.80 116.66 118.46 2jwn n ARG 113 Ca -0.11 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.38 2jwn n ARG 113 Cb 0.51 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.38 2jwn n ARG 113 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2jwn s THR 114 N 0.00 4.59 -0.19 5.15 -4.23 -1.26 -4.78 115.64 114.92 2jwn s THR 114 Ca 0.00 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 59.96 2jwn s THR 114 Cb 0.00 -4.59 0.07 0.00 1.34 0.00 0.00 72.50 69.32 2jwn s THR 114 CO 0.00 -1.29 1.38 -1.13 -0.54 0.00 0.00 174.62 173.03 2jwn h ASN 115 N 9.36 0.00 -4.63 3.99 -0.73 -1.89 0.95 115.58 122.62 2jwn h ASN 115 Ca -0.28 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 57.71 2jwn h ASN 115 Cb 1.08 0.00 -0.23 0.00 0.27 0.00 0.00 38.32 39.44 2jwn h ASN 115 CO 1.14 0.44 -0.62 -0.04 -0.37 0.00 0.00 177.43 177.98 2jwn s MET 116 N -2.99 0.30 0.32 6.67 -1.94 -1.26 -3.27 119.30 117.13 2jwn s MET 116 Ca 0.03 -0.35 -0.29 0.00 -1.71 0.00 0.00 55.69 53.38 2jwn s MET 116 Cb 0.07 0.12 -0.10 0.00 2.01 0.00 0.00 34.83 36.93 2jwn s MET 116 CO 0.75 -0.06 1.33 -2.14 -0.01 0.00 0.00 175.02 174.89 2jwn s PRO 117 N -1.01 4.33 0.00 2.03 0.02 -1.26 -3.88 135.00 135.23 2jwn s PRO 117 Ca -0.11 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2jwn s PRO 117 Cb -0.07 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2jwn s PRO 117 CO 0.00 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 2jwn n GLY 118 N 1.01 2.08 2.95 0.52 0.00 -1.26 -4.78 105.19 105.72 2jwn n GLY 118 Ca 0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2jwn n GLY 118 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwn s ILE 119 N 0.00 0.25 -0.32 -0.61 2.07 -1.25 -5.11 121.20 116.24 2jwn s ILE 119 Ca 0.00 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 58.87 2jwn s ILE 119 Cb 0.00 -0.27 0.09 0.00 0.13 0.00 0.00 42.46 42.41 2jwn s ILE 119 CO 0.00 -0.10 0.00 -0.44 -1.91 0.00 0.00 174.94 172.49 2jwn s SER 120 N -0.55 4.67 -0.37 4.50 0.01 -1.26 -4.36 113.70 116.34 2jwn s SER 120 Ca -0.04 -1.93 -0.09 0.00 1.31 0.00 0.00 55.95 55.21 2jwn s SER 120 Cb -0.04 -1.60 0.05 0.00 0.21 0.00 0.00 66.02 64.64 2jwn s SER 120 CO -0.00 -0.32 0.18 -0.44 0.41 0.00 0.00 173.24 173.07 2jwn s SER 121 N 0.96 5.54 0.45 2.44 0.01 -1.26 -4.97 113.70 116.87 2jwn s SER 121 Ca 0.05 -1.20 -0.25 0.00 1.31 0.00 0.00 55.95 55.86 2jwn s SER 121 Cb -0.19 -1.95 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 2jwn s SER 121 CO -0.07 -0.41 1.32 -0.89 0.41 0.00 0.00 173.24 173.61 2jwn s THR 122 N 1.45 2.46 0.17 1.44 2.01 -1.26 -4.93 115.64 116.98 2jwn s THR 122 Ca 0.01 0.39 -0.32 0.00 0.31 0.00 0.00 61.69 62.08 2jwn s THR 122 Cb -0.20 -3.22 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 2jwn s THR 122 CO 0.04 0.04 1.64 -1.81 -0.69 0.00 0.00 174.62 173.84 2jwn s ASP 123 N -0.80 6.51 0.00 3.53 1.01 -1.26 -5.25 116.67 120.41 2jwn s ASP 123 Ca 0.61 2.69 0.26 0.00 0.71 0.00 0.00 52.55 56.82 2jwn s ASP 123 Cb -0.39 -2.59 0.52 0.00 1.01 0.00 0.00 42.92 41.48 2jwn s ASP 123 CO 0.49 -0.89 1.45 -1.14 0.21 0.00 0.00 175.17 175.29