#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 4.47 -0.16 0.00 -4.36 -1.26 -5.04 121.20 114.86 2jwn s ILE 2 Ca 0.00 1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 62.34 2jwn s ILE 2 Cb 0.00 -4.28 0.05 0.00 1.25 0.00 0.00 42.46 39.48 2jwn s ILE 2 CO 0.00 0.36 0.05 0.00 0.24 0.00 0.00 174.94 175.59 2jwn s ALA 3 N -0.22 0.72 -0.58 2.27 0.00 -1.26 -5.09 121.76 117.60 2jwn s ALA 3 Ca 0.44 -0.43 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 2jwn s ALA 3 Cb -0.23 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2jwn s ALA 3 CO 0.29 -1.03 1.46 -1.25 0.00 0.00 0.00 175.76 175.23 2jwn s PRO 4 N 1.99 3.21 -0.29 0.00 0.04 -1.26 -4.97 135.00 133.72 2jwn s PRO 4 Ca 0.01 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.39 2jwn s PRO 4 Cb -0.16 -4.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 2jwn s PRO 4 CO -0.08 -2.05 0.10 0.00 0.04 0.00 0.00 177.00 175.02 2jwn s MET 6 N 1.55 3.68 -0.53 0.00 -1.94 -1.26 -4.93 119.30 115.88 2jwn s MET 6 Ca 0.04 -1.60 -0.17 0.00 -1.71 0.00 0.00 55.69 52.24 2jwn s MET 6 Cb -0.17 -5.17 0.09 0.00 2.01 0.00 0.00 34.83 31.59 2jwn s MET 6 CO 0.04 -2.00 0.55 -1.14 -0.01 0.00 0.00 175.02 172.46 2jwn s GLN 7 N 3.67 3.03 0.24 2.03 -0.44 -1.26 -4.97 119.66 121.95 2jwn s GLN 7 Ca 0.41 -1.32 -0.22 0.00 -2.50 0.00 0.00 55.36 51.73 2jwn s GLN 7 Cb -0.02 -4.20 0.05 0.00 -1.64 0.00 0.00 33.01 27.20 2jwn s GLN 7 CO -0.07 -1.27 0.86 -0.08 0.50 0.00 0.00 175.29 175.23 2jwn s THR 8 N 2.12 0.00 0.17 -0.34 -1.32 -1.26 -5.18 115.64 109.82 2jwn s THR 8 Ca 0.08 -0.83 -0.19 0.00 -1.21 0.00 0.00 61.69 59.54 2jwn s THR 8 Cb -0.24 -2.22 0.07 0.00 -1.51 0.00 0.00 72.50 68.59 2jwn s THR 8 CO 0.07 0.00 0.92 1.07 -2.21 0.00 0.00 174.62 174.47 2jwn n THR 9 N -0.50 0.00 -4.32 5.08 5.66 -1.26 -5.17 114.28 113.76 2jwn n THR 9 Ca -0.05 -0.51 -0.23 0.00 -3.05 0.00 0.00 64.05 60.21 2jwn n THR 9 Cb 0.60 0.69 -0.12 0.00 -1.55 0.00 0.00 70.33 69.96 2jwn n THR 9 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2jwn s HIS 10 N -2.52 1.85 -0.85 1.09 -3.43 -1.26 -5.06 115.29 105.11 2jwn s HIS 10 Ca 0.20 -0.44 -0.25 0.00 -0.80 0.00 0.00 55.06 53.77 2jwn s HIS 10 Cb -0.03 -0.95 0.01 0.00 -1.43 0.00 0.00 32.58 30.19 2jwn s HIS 10 CO 0.05 0.30 1.57 -1.12 -2.00 0.00 0.00 174.74 173.54 2jwn s SER 11 N -2.40 5.93 -0.93 7.38 0.01 -1.26 -4.91 113.70 117.52 2jwn s SER 11 Ca 0.13 -0.70 -0.24 0.00 1.31 0.00 0.00 55.95 56.44 2jwn s SER 11 Cb -0.07 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2jwn s SER 11 CO 0.06 -2.00 1.67 -1.59 0.41 0.00 0.00 173.24 171.80 2jwn s LYS 12 N 5.95 3.07 -0.10 12.44 -2.85 -1.26 -4.83 119.74 132.15 2jwn s LYS 12 Ca 0.51 -0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 2jwn s LYS 12 Cb -0.06 -5.10 0.11 0.00 -2.06 0.00 0.00 37.83 30.72 2jwn s LYS 12 CO 0.04 -2.73 0.88 1.41 0.10 0.00 0.00 175.35 175.04 2jwn s MET 13 N 6.02 0.78 -0.10 1.78 1.75 -1.10 -4.23 119.30 124.20 2jwn s MET 13 Ca 0.57 0.11 -0.31 0.00 -1.25 0.00 0.00 55.69 54.80 2jwn s MET 13 Cb -0.04 0.37 -0.09 0.00 2.84 0.00 0.00 34.83 37.90 2jwn s MET 13 CO -0.03 -0.26 2.02 2.41 -0.65 0.00 0.00 175.02 178.52 2jwn n THR 14 N 0.64 0.56 0.05 10.11 -1.04 -1.26 -3.89 114.28 119.46 2jwn n THR 14 Ca -0.13 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.05 61.65 2jwn n THR 14 Cb 0.58 -2.17 0.25 0.00 -1.82 0.00 0.00 70.33 67.17 2jwn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn h ALA 15 N 11.32 1.20 0.00 2.41 0.00 -1.85 -3.49 119.26 128.86 2jwn h ALA 15 Ca -0.46 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2jwn h ALA 15 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jwn h ALA 15 CO 0.95 0.52 0.00 0.41 0.00 0.00 0.00 179.25 181.13 2jwn n GLY 16 N -0.47 0.86 3.75 0.00 0.00 -1.26 -5.08 105.19 102.98 2jwn n GLY 16 Ca -0.00 -2.30 -0.23 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.05 3.40 -0.11 4.61 0.00 -1.26 -5.06 121.76 122.29 2jwn s ALA 17 Ca 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 2jwn s ALA 17 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 2jwn s ALA 17 CO 0.00 0.32 -0.02 -0.47 0.00 0.00 0.00 175.76 175.58 2jwn s TYR 18 N -2.09 3.07 -0.76 0.00 5.04 -1.26 -5.04 117.35 116.31 2jwn s TYR 18 Ca 0.31 -0.00 -0.26 0.00 -2.44 0.00 0.00 57.07 54.68 2jwn s TYR 18 Cb -0.08 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2jwn s TYR 18 CO 0.22 0.26 1.61 0.99 -1.34 0.00 0.00 175.55 177.30 2jwn s THR 19 N -0.41 3.58 0.74 4.34 2.01 -1.26 -4.98 115.64 119.65 2jwn s THR 19 Ca 0.07 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2jwn s THR 19 Cb -0.12 -4.45 0.04 0.00 0.01 0.00 0.00 72.50 67.97 2jwn s THR 19 CO 0.02 -1.40 1.09 -1.61 -0.69 0.00 0.00 174.62 172.03 2jwn s GLU 20 N 6.29 2.48 0.00 4.92 2.02 -1.26 -5.06 118.70 128.09 2jwn s GLU 20 Ca 0.53 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.69 2jwn s GLU 20 Cb -0.08 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2jwn s GLU 20 CO 0.11 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.34 2jwn n GLY 21 N -1.24 1.21 0.23 -1.39 0.00 -1.26 -4.89 105.19 97.86 2jwn n GLY 21 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2jwn n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn h PRO 22 N 0.00 0.00 -6.32 1.61 0.14 -2.06 -3.47 132.00 121.91 2jwn h PRO 22 Ca 0.00 0.00 -0.64 0.00 0.14 0.00 0.00 66.00 65.50 2jwn h PRO 22 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 31.00 31.17 2jwn h PRO 22 CO 0.00 0.06 0.87 -0.35 0.14 0.00 0.00 178.00 178.73 2jwn n PRO 23 N -3.14 1.82 -1.67 1.56 -0.04 -1.26 -4.93 135.00 127.35 2jwn n PRO 23 Ca 0.02 0.66 -0.37 0.00 -0.04 0.00 0.00 63.50 63.78 2jwn n PRO 23 Cb 0.46 -2.42 0.07 0.00 -0.04 0.00 0.00 33.50 31.57 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 4.84 1.02 -1.68 0.54 1.13 -1.26 -4.87 117.38 117.10 2jwn n GLN 24 Ca 0.21 0.41 -0.48 0.00 -1.94 0.00 0.00 57.00 55.20 2jwn n GLN 24 Cb 0.25 -2.51 -0.05 0.00 0.11 0.00 0.00 30.24 28.04 2jwn n GLN 24 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2jwn n PRO 25 N -2.00 2.21 -3.72 -1.09 -0.02 -1.26 -5.01 135.00 124.11 2jwn n PRO 25 Ca 0.16 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 62.24 2jwn n PRO 25 Cb 0.48 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 2jwn n PRO 25 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2jwn s LEU 26 N 3.61 3.85 0.48 2.45 -0.00 -1.26 -5.07 118.68 122.75 2jwn s LEU 26 Ca 0.90 -0.28 -0.24 0.00 -0.00 0.00 0.00 54.13 54.51 2jwn s LEU 26 Cb -0.68 -2.52 -0.07 0.00 -0.00 0.00 0.00 46.19 42.92 2jwn s LEU 26 CO 0.49 -0.32 1.42 -0.24 -0.00 0.00 0.00 176.35 177.70 2jwn n SER 27 N -1.47 3.19 -0.16 1.48 2.88 -1.26 -4.86 113.62 113.42 2jwn n SER 27 Ca -0.02 1.08 0.19 0.00 -1.33 0.00 0.00 58.87 58.78 2jwn n SER 27 Cb 0.59 -1.60 0.56 0.00 -0.75 0.00 0.00 64.21 63.01 2jwn n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jwn h ALA 28 N 2.04 2.29 -0.50 -1.46 0.00 -1.99 -1.06 119.26 118.59 2jwn h ALA 28 Ca -0.51 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2jwn h ALA 28 Cb 1.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2jwn h ALA 28 CO 0.60 -0.52 -0.10 0.93 0.00 0.00 0.00 179.25 180.16 2jwn h GLU 29 N 0.29 0.92 -0.33 0.00 5.08 -2.00 -1.63 114.58 116.91 2jwn h GLU 29 Ca 0.38 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2jwn h GLU 29 Cb 1.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2jwn h GLU 29 CO -0.10 0.97 -0.07 0.93 -1.00 0.00 0.00 179.01 179.73 2jwn h GLU 30 N 0.82 0.55 -0.25 2.33 3.07 -1.57 -2.52 114.58 117.01 2jwn h GLU 30 Ca 0.13 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 2jwn h GLU 30 Cb 0.62 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 2jwn h GLU 30 CO 0.04 0.63 -0.05 0.87 -1.40 0.00 0.00 179.01 179.10 2jwn h LYS 31 N 0.51 0.48 -0.69 2.33 1.57 -0.74 0.07 116.57 120.10 2jwn h LYS 31 Ca 0.10 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jwn h LYS 31 Cb 0.44 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2jwn h LYS 31 CO 0.02 0.69 0.40 0.87 -0.57 0.00 0.00 179.45 180.86 2jwn h LYS 32 N 0.23 0.94 -0.27 3.15 1.57 -1.28 -2.89 116.57 118.02 2jwn h LYS 32 Ca 0.07 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2jwn h LYS 32 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jwn h LYS 32 CO 0.02 0.69 -0.51 0.93 -0.57 0.00 0.00 179.45 180.01 2jwn h GLU 33 N 0.94 0.83 -0.37 3.15 4.39 -1.19 -3.06 114.58 119.26 2jwn h GLU 33 Ca 0.24 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 2jwn h GLU 33 Cb 0.00 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2jwn h GLU 33 CO -0.04 1.16 -0.07 -0.84 -1.16 0.00 0.00 179.01 178.06 2jwn h ILE 34 N 0.60 1.23 0.00 3.13 3.07 -0.90 -1.51 117.51 123.13 2jwn h ILE 34 Ca 0.01 -1.00 -0.11 0.00 1.55 0.00 0.00 64.86 65.31 2jwn h ILE 34 Cb 1.12 1.02 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 2jwn h ILE 34 CO 0.11 0.34 -0.53 0.44 -1.05 0.00 0.00 178.15 177.47 2jwn h ASP 35 N 0.58 0.00 1.09 2.16 3.32 -1.54 -1.99 116.42 120.05 2jwn h ASP 35 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2jwn h ASP 35 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2jwn h ASP 35 CO 0.02 0.53 0.00 0.11 -1.72 0.00 0.00 179.24 178.18 2jwn h LYS 36 N 0.00 0.00 -0.54 3.56 1.57 -1.25 -2.05 116.57 117.86 2jwn h LYS 36 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jwn h LYS 36 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2jwn h LYS 36 CO 0.07 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.49 2jwn n ARG 37 N -2.44 3.05 -4.13 3.15 1.74 -0.64 -4.82 116.66 112.56 2jwn n ARG 37 Ca 0.03 -2.53 -0.25 0.00 -0.77 0.00 0.00 57.85 54.34 2jwn n ARG 37 Cb 0.32 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 2jwn n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jwn s SER 38 N -1.06 5.31 0.16 0.55 0.15 -0.77 0.36 113.70 118.40 2jwn s SER 38 Ca 0.40 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.81 2jwn s SER 38 Cb 0.23 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2jwn s SER 38 CO 0.23 0.04 0.02 0.68 1.20 0.00 0.00 173.24 175.40 2jwn s VAL 39 N -1.89 0.52 -0.17 4.45 -7.23 -0.03 -1.04 120.40 115.00 2jwn s VAL 39 Ca 0.31 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2jwn s VAL 39 Cb -0.09 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 2jwn s VAL 39 CO 0.23 -0.48 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.02 2jwn s TYR 40 N -3.76 2.98 -0.23 2.82 5.04 0.18 -1.96 117.35 122.43 2jwn s TYR 40 Ca 0.24 -0.49 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 2jwn s TYR 40 Cb 0.06 -2.00 0.05 0.00 0.35 0.00 0.00 41.96 40.43 2jwn s TYR 40 CO 0.03 -0.20 -0.12 0.08 -1.34 0.00 0.00 175.55 174.00 2jwn s VAL 41 N 0.70 1.99 0.45 3.14 1.01 0.23 -0.99 120.40 126.93 2jwn s VAL 41 Ca -0.02 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 60.66 2jwn s VAL 41 Cb -0.15 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2jwn s VAL 41 CO 0.02 0.11 0.08 -0.83 0.00 0.00 0.00 175.10 174.48 2jwn s GLY 42 N 1.22 2.59 -2.15 4.51 0.00 0.45 0.74 107.32 114.69 2jwn s GLY 42 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2jwn s GLY 42 CO -0.07 -2.07 0.00 -2.01 0.00 0.00 0.00 173.10 168.95 2jwn n ASN 43 N -1.16 -5.51 -4.77 1.64 5.15 -0.71 -2.51 115.26 107.38 2jwn n ASN 43 Ca -0.07 0.46 -0.41 0.00 -0.60 0.00 0.00 54.58 53.96 2jwn n ASN 43 Cb 0.66 -4.80 -0.02 0.00 -0.53 0.00 0.00 39.78 35.10 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 -2.79 2.61 0.49 3.44 0.11 -0.84 -4.84 120.40 118.58 2jwn s VAL 44 Ca 0.00 0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 59.54 2jwn s VAL 44 Cb 0.00 -3.39 -0.06 0.00 -1.53 0.00 0.00 36.38 31.40 2jwn s VAL 44 CO 0.00 0.15 0.90 -0.62 -3.33 0.00 0.00 175.10 172.20 2jwn s ASP 45 N -0.42 6.49 0.49 3.54 -1.08 -1.26 -3.52 116.67 120.91 2jwn s ASP 45 Ca 0.50 1.33 0.32 0.00 -0.52 0.00 0.00 52.55 54.18 2jwn s ASP 45 Cb -0.41 -2.41 1.40 0.00 -1.46 0.00 0.00 42.92 40.04 2jwn s ASP 45 CO 0.54 -0.57 1.96 0.22 0.52 0.00 0.00 175.17 177.84 2jwn h TYR 46 N 0.76 0.00 0.00 -5.34 5.03 -1.89 -0.84 116.97 114.69 2jwn h TYR 46 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 2jwn h TYR 46 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2jwn h TYR 46 CO 0.63 0.00 0.00 0.78 -1.32 0.00 0.00 178.16 178.25 2jwn h GLY 47 N 1.79 0.00 -5.34 1.82 0.00 -2.01 -3.42 103.07 95.90 2jwn h GLY 47 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2jwn h GLY 47 CO 0.00 0.00 0.14 -0.56 0.00 0.00 0.00 176.54 176.12 2jwn s SER 48 N -4.75 6.89 0.56 0.19 0.01 -0.32 -5.04 113.70 111.24 2jwn s SER 48 Ca 0.08 1.08 0.07 0.00 1.31 0.00 0.00 55.95 58.50 2jwn s SER 48 Cb 0.11 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 64.00 2jwn s SER 48 CO 0.56 -0.20 0.58 0.42 0.41 0.00 0.00 173.24 175.01 2jwn s THR 49 N 1.29 1.86 0.14 1.44 -4.23 -1.26 -4.86 115.64 110.02 2jwn s THR 49 Ca 0.35 -1.27 -0.17 0.00 -1.18 0.00 0.00 61.69 59.42 2jwn s THR 49 Cb -0.17 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2jwn s THR 49 CO 0.15 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.01 2jwn h ALA 50 N 0.49 0.48 -0.69 3.99 0.00 -1.99 -0.11 119.26 121.44 2jwn h ALA 50 Ca -0.34 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2jwn h ALA 50 Cb 1.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2jwn h ALA 50 CO 0.50 -0.03 0.46 0.37 0.00 0.00 0.00 179.25 180.54 2jwn h GLN 51 N 0.50 0.76 -0.50 0.00 5.75 -1.99 0.39 115.11 120.02 2jwn h GLN 51 Ca 0.14 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.48 2jwn h GLN 51 Cb -0.01 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 2jwn h GLN 51 CO -0.03 0.51 -0.13 -0.44 -2.65 0.00 0.00 178.83 176.09 2jwn h ASP 52 N 0.79 0.98 -0.12 -0.69 3.32 -1.67 -2.50 116.42 116.53 2jwn h ASP 52 Ca 0.28 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2jwn h ASP 52 Cb 0.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2jwn h ASP 52 CO -0.08 1.12 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.48 2jwn h LEU 53 N 0.84 0.22 -0.35 1.55 3.38 -0.22 -2.59 115.31 118.13 2jwn h LEU 53 Ca 0.13 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jwn h LEU 53 Cb 0.69 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2jwn h LEU 53 CO 0.05 0.49 0.22 -0.33 0.09 0.00 0.00 178.44 178.96 2jwn h GLU 54 N -0.06 0.47 -0.40 1.13 5.08 -0.98 -0.73 114.58 119.10 2jwn h GLU 54 Ca 0.03 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2jwn h GLU 54 Cb 0.38 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2jwn h GLU 54 CO 0.01 0.34 0.09 0.00 -1.00 0.00 0.00 179.01 178.46 2jwn h ALA 55 N 1.10 0.44 -0.53 3.43 0.00 -1.40 0.90 119.26 123.20 2jwn h ALA 55 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2jwn h ALA 55 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jwn h ALA 55 CO -0.02 -0.31 0.18 1.25 0.00 0.00 0.00 179.25 180.35 2jwn h HIS 56 N 0.23 0.85 0.00 0.00 -0.00 -1.28 -2.85 115.15 112.09 2jwn h HIS 56 Ca 0.19 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 2jwn h HIS 56 Cb 0.22 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2jwn h HIS 56 CO -0.19 0.72 -0.42 0.74 -0.00 0.00 0.00 177.93 178.78 2jwn h PHE 57 N 0.73 0.00 0.00 5.26 0.04 -0.62 -3.29 116.94 119.06 2jwn h PHE 57 Ca 0.17 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 2jwn h PHE 57 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2jwn h PHE 57 CO 0.01 0.22 -0.25 1.03 -0.60 0.00 0.00 178.31 178.73 2jwn h SER 58 N 0.00 0.00 -0.04 2.17 0.87 0.11 0.71 113.55 117.36 2jwn h SER 58 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2jwn h SER 58 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2jwn h SER 58 CO 0.03 0.25 0.05 0.28 -0.53 0.00 0.00 176.83 176.91 2jwn h SER 59 N 0.00 0.00 -0.43 6.23 0.02 -1.60 -1.92 113.55 115.85 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 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 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 1.39 0.41 3.32 0.00 0.00 -0.72 -4.29 105.19 105.29 2jwn n GLY 61 Ca 0.19 -1.33 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2jwn n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jwn s SER 62 N -4.00 4.16 -0.09 1.61 1.04 -1.26 -4.56 113.70 110.61 2jwn s SER 62 Ca 0.00 -0.38 -0.21 0.00 0.48 0.00 0.00 55.95 55.84 2jwn s SER 62 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 2jwn s SER 62 CO 0.00 0.04 0.58 -0.63 0.98 0.00 0.00 173.24 174.21 2jwn s ILE 63 N 1.13 5.10 -0.22 -1.02 1.01 -1.26 -0.15 121.20 125.78 2jwn s ILE 63 Ca 0.01 1.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.67 2jwn s ILE 63 Cb -0.14 -3.92 -0.18 0.00 0.01 0.00 0.00 42.46 38.23 2jwn s ILE 63 CO -0.02 0.31 0.07 -3.20 0.00 0.00 0.00 174.94 172.10 2jwn n ASN 64 N 3.62 1.91 -3.70 3.58 2.85 0.10 -4.64 115.26 118.98 2jwn n ASN 64 Ca -0.05 0.37 -0.10 0.00 -0.11 0.00 0.00 54.58 54.69 2jwn n ASN 64 Cb 0.51 -0.91 -0.04 0.00 1.24 0.00 0.00 39.78 40.59 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2jwn s ARG 65 N -2.42 1.34 -0.04 1.20 0.52 -0.43 -4.99 118.95 114.13 2jwn s ARG 65 Ca -0.31 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.00 2jwn s ARG 65 Cb 0.08 0.52 0.01 0.00 0.52 0.00 0.00 34.95 36.09 2jwn s ARG 65 CO 0.58 -0.57 0.20 0.96 0.02 0.00 0.00 175.30 176.49 2jwn s ILE 66 N -3.86 0.04 -0.10 1.52 -4.36 -1.26 -0.03 121.20 113.14 2jwn s ILE 66 Ca 0.08 -0.29 0.02 0.00 -0.26 0.00 0.00 60.65 60.20 2jwn s ILE 66 Cb -0.01 -0.38 0.01 0.00 1.25 0.00 0.00 42.46 43.34 2jwn s ILE 66 CO -0.05 -0.16 -0.15 -0.89 0.24 0.00 0.00 174.94 173.94 2jwn s THR 67 N -0.56 1.45 -0.14 8.37 2.01 0.34 -4.97 115.64 122.14 2jwn s THR 67 Ca -0.07 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2jwn s THR 67 Cb -0.04 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2jwn s THR 67 CO 0.01 0.43 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.56 2jwn s ILE 68 N 0.94 1.79 -0.11 1.82 1.09 -1.26 0.35 121.20 125.83 2jwn s ILE 68 Ca -0.08 -0.80 0.03 0.00 -1.10 0.00 0.00 60.65 58.71 2jwn s ILE 68 Cb -0.15 -1.63 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 2jwn s ILE 68 CO -0.01 0.50 -0.22 -1.48 -0.10 0.00 0.00 174.94 173.63 2jwn s LEU 69 N 1.12 2.04 -0.17 2.97 2.34 0.58 -4.98 118.68 122.59 2jwn s LEU 69 Ca -0.02 -0.54 -0.01 0.00 0.06 0.00 0.00 54.13 53.62 2jwn s LEU 69 Cb -0.14 -1.35 -0.01 0.00 -0.56 0.00 0.00 46.19 44.13 2jwn s LEU 69 CO -0.06 0.12 -0.11 0.00 -1.06 0.00 0.00 176.35 175.23 2jwn s ASP 71 N 0.84 4.55 -0.06 0.00 -4.77 -0.90 -4.87 116.67 111.47 2jwn s ASP 71 Ca -0.04 -0.18 0.15 0.00 -3.30 0.00 0.00 52.55 49.18 2jwn s ASP 71 Cb -0.15 -1.70 0.48 0.00 -1.09 0.00 0.00 42.92 40.45 2jwn s ASP 71 CO 0.00 0.18 1.40 0.29 0.70 0.00 0.00 175.17 177.74 2jwn n LYS 72 N 3.46 3.06 -0.14 2.11 5.02 -1.26 0.27 118.16 130.67 2jwn n LYS 72 Ca -0.18 -2.46 -0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2jwn n LYS 72 Cb 0.53 -1.55 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 2jwn n LYS 72 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2jwn h PHE 73 N 2.67 0.83 -0.05 2.13 3.57 -1.90 0.70 116.94 124.88 2jwn h PHE 73 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jwn h PHE 73 Cb 1.06 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2jwn h PHE 73 CO 0.43 0.59 0.00 0.45 -2.23 0.00 0.00 178.31 177.55 2jwn n SER 74 N -4.37 0.32 0.00 0.41 2.88 -1.26 -4.90 113.62 106.70 2jwn n SER 74 Ca 0.06 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 2jwn n SER 74 Cb 0.11 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.70 2.15 3.82 0.46 0.00 0.24 -4.93 105.19 107.62 2jwn n GLY 75 Ca 0.07 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.10 3.62 -0.15 1.61 3.76 -1.26 -4.91 115.29 117.87 2jwn s HIS 76 Ca 0.00 0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 55.39 2jwn s HIS 76 Cb 0.00 -2.22 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 2jwn s HIS 76 CO 0.00 0.56 1.64 -1.25 -0.85 0.00 0.00 174.74 174.84 2jwn s PRO 77 N -0.64 3.94 0.38 8.40 0.04 -1.25 -4.34 135.00 141.52 2jwn s PRO 77 Ca 0.20 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.18 2jwn s PRO 77 Cb -0.14 -4.02 0.05 0.00 0.04 0.00 0.00 34.50 30.42 2jwn s PRO 77 CO 0.08 -1.12 0.40 1.63 0.04 0.00 0.00 177.00 178.04 2jwn n LYS 78 N 7.45 0.84 -3.63 4.56 4.76 0.14 -4.85 118.16 127.43 2jwn n LYS 78 Ca 0.18 -2.19 -0.11 0.00 -2.87 0.00 0.00 58.31 53.33 2jwn n LYS 78 Cb 0.44 0.04 -0.07 0.00 -1.84 0.00 0.00 35.03 33.61 2jwn n LYS 78 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2jwn s GLY 79 N -3.54 -0.43 -0.14 0.72 0.00 -1.23 -2.11 107.32 100.59 2jwn s GLY 79 Ca 0.31 2.33 -0.19 0.00 0.00 0.00 0.00 44.72 47.16 2jwn s GLY 79 CO 0.19 1.94 0.51 -2.52 0.00 0.00 0.00 173.10 173.22 2jwn s TYR 80 N 0.63 -0.52 0.05 1.90 1.13 -0.07 -1.74 117.35 118.73 2jwn s TYR 80 Ca -0.02 1.15 0.02 0.00 -1.41 0.00 0.00 57.07 56.82 2jwn s TYR 80 Cb -0.05 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.99 2jwn s TYR 80 CO -0.05 -0.35 -0.07 0.00 -2.51 0.00 0.00 175.55 172.57 2jwn s ALA 81 N -0.23 0.61 -0.22 9.51 0.00 0.23 -0.30 121.76 131.35 2jwn s ALA 81 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2jwn s ALA 81 Cb -0.03 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2jwn s ALA 81 CO 0.03 -0.07 -0.14 0.71 0.00 0.00 0.00 175.76 176.29 2jwn s TYR 82 N -1.79 3.01 -0.25 0.00 1.51 0.16 0.75 117.35 120.72 2jwn s TYR 82 Ca -0.06 -1.84 -0.13 0.00 -1.01 0.00 0.00 57.07 54.02 2jwn s TYR 82 Cb -0.07 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2jwn s TYR 82 CO -0.01 -0.81 0.28 0.42 -1.11 0.00 0.00 175.55 174.32 2jwn s ILE 83 N 1.24 5.26 -0.27 2.71 -1.09 -0.83 -0.50 121.20 127.72 2jwn s ILE 83 Ca -0.01 0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 58.72 2jwn s ILE 83 Cb -0.16 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2jwn s ILE 83 CO -0.08 0.24 0.15 -0.70 -1.23 0.00 0.00 174.94 173.31 2jwn s GLU 84 N 1.63 3.82 0.23 2.79 2.12 0.95 -0.86 118.70 129.38 2jwn s GLU 84 Ca 0.12 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.06 2jwn s GLU 84 Cb -0.15 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2jwn s GLU 84 CO 0.09 -0.19 0.40 -0.06 -0.54 0.00 0.00 175.26 174.95 2jwn s PHE 85 N 1.70 3.48 0.10 5.30 0.40 0.16 0.02 117.98 129.15 2jwn s PHE 85 Ca 0.07 0.26 0.13 0.00 -0.60 0.00 0.00 56.93 56.78 2jwn s PHE 85 Cb -0.16 -1.79 0.21 0.00 0.51 0.00 0.00 43.02 41.80 2jwn s PHE 85 CO 0.08 0.36 1.51 0.00 0.70 0.00 0.00 175.22 177.87 2jwn h ALA 86 N 1.66 0.73 -3.69 5.36 0.00 -0.81 -3.40 119.26 119.10 2jwn h ALA 86 Ca -0.49 -0.58 -0.68 0.00 0.00 0.00 0.00 54.91 53.16 2jwn h ALA 86 Cb 1.20 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 2jwn h ALA 86 CO 0.66 0.79 -0.74 -1.21 0.00 0.00 0.00 179.25 178.76 2jwn s GLU 87 N -3.21 2.88 0.29 0.00 2.02 -1.26 -5.00 118.70 114.43 2jwn s GLU 87 Ca 0.01 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.44 2jwn s GLU 87 Cb 0.10 -2.55 0.43 0.00 0.10 0.00 0.00 34.13 32.21 2jwn s GLU 87 CO 0.75 0.51 1.67 -0.09 0.02 0.00 0.00 175.26 178.13 2jwn h ARG 88 N 5.74 0.20 0.00 1.61 1.12 -1.88 -2.25 114.38 118.92 2jwn h ARG 88 Ca -0.41 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.34 2jwn h ARG 88 Cb 1.18 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.14 2jwn h ARG 88 CO 0.53 0.63 -0.06 -0.91 -3.11 0.00 0.00 179.97 177.05 2jwn h ASN 89 N 0.16 0.00 -0.15 -3.80 4.21 -1.94 -1.55 115.58 112.50 2jwn h ASN 89 Ca 0.01 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.41 2jwn h ASN 89 Cb 0.88 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 2jwn h ASN 89 CO 0.07 0.06 -0.26 0.28 -1.29 0.00 0.00 177.43 176.29 2jwn h SER 90 N 0.00 0.63 -0.42 5.81 0.02 -1.59 -2.19 113.55 115.80 2jwn h SER 90 Ca -0.00 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 2jwn h SER 90 Cb 0.43 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2jwn h SER 90 CO 0.01 0.87 -0.14 -0.37 -1.14 0.00 0.00 176.83 176.06 2jwn h VAL 91 N 0.54 1.27 -0.51 2.27 -1.51 -1.34 -1.26 116.25 115.70 2jwn h VAL 91 Ca 0.07 -1.26 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 2jwn h VAL 91 Cb 0.73 1.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 2jwn h VAL 91 CO 0.06 0.44 0.26 -0.78 -1.23 0.00 0.00 177.57 176.31 2jwn h ASP 92 N 0.80 0.63 0.58 4.19 1.82 -1.29 0.47 116.42 123.63 2jwn h ASP 92 Ca 0.12 -0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.55 2jwn h ASP 92 Cb 0.67 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 2jwn h ASP 92 CO 0.05 0.53 -0.74 0.00 -1.61 0.00 0.00 179.24 177.47 2jwn h ALA 93 N 1.57 0.72 0.02 -0.78 0.00 -1.01 -3.31 119.26 116.48 2jwn h ALA 93 Ca 0.18 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 2jwn h ALA 93 Cb 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jwn h ALA 93 CO -0.03 0.86 -0.78 0.00 0.00 0.00 0.00 179.25 179.30 2jwn h ALA 94 N 1.15 0.06 -0.05 0.00 0.00 0.14 -3.21 119.26 117.35 2jwn h ALA 94 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.28 2jwn h ALA 94 Cb 1.31 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jwn h ALA 94 CO 0.11 0.46 0.21 -0.39 0.00 0.00 0.00 179.25 179.63 2jwn h VAL 95 N 0.02 0.11 0.00 0.00 -1.51 -0.24 0.15 116.25 114.77 2jwn h VAL 95 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2jwn h VAL 95 Cb 1.49 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2jwn h VAL 95 CO 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 2jwn n ALA 96 N -2.06 1.60 -0.30 5.19 0.00 -1.21 -1.03 120.51 122.70 2jwn n ALA 96 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2jwn n ALA 96 Cb 0.28 -1.23 0.30 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.59 2.73 -0.32 0.00 2.81 0.51 -4.76 117.12 116.50 2jwn n MET 97 Ca 0.03 -2.57 -0.06 0.00 -1.81 0.00 0.00 57.70 53.29 2jwn n MET 97 Cb 0.16 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 2jwn n MET 97 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jwn n ASP 98 N 1.50 -0.72 -0.89 7.83 -0.08 -0.19 -1.20 116.55 122.79 2jwn n ASP 98 Ca 0.23 1.39 0.00 0.00 -1.51 0.00 0.00 54.79 54.90 2jwn n ASP 98 Cb 0.60 -0.23 0.20 0.00 2.34 0.00 0.00 41.12 44.03 2jwn n ASP 98 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2jwn n GLU 99 N -5.04 1.76 -1.53 -0.67 2.13 -1.26 -0.58 120.64 115.45 2jwn n GLU 99 Ca 0.04 -3.30 -0.29 0.00 0.66 0.00 0.00 57.16 54.27 2jwn n GLU 99 Cb 0.24 -1.73 0.12 0.00 0.27 0.00 0.00 31.44 30.34 2jwn n GLU 99 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jwn s THR 100 N -3.30 2.52 -0.14 6.31 2.01 -0.34 -4.75 115.64 117.95 2jwn s THR 100 Ca 0.41 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.54 2jwn s THR 100 Cb 0.39 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2jwn s THR 100 CO -0.04 -0.22 -0.00 0.54 -0.69 0.00 0.00 174.62 174.21 2jwn s VAL 101 N -3.20 4.21 -0.06 3.82 0.11 -1.26 -2.03 120.40 122.00 2jwn s VAL 101 Ca 0.62 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2jwn s VAL 101 Cb -0.15 -2.83 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2jwn s VAL 101 CO 0.54 0.52 -0.05 0.12 -3.33 0.00 0.00 175.10 172.90 2jwn s PHE 102 N -0.03 0.91 -1.51 1.54 5.36 0.53 -4.77 117.98 120.01 2jwn s PHE 102 Ca 0.03 -0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 55.67 2jwn s PHE 102 Cb -0.13 -0.79 0.01 0.00 -0.34 0.00 0.00 43.02 41.77 2jwn s PHE 102 CO 0.02 -0.25 0.29 -2.13 -1.46 0.00 0.00 175.22 171.70 2jwn n ARG 103 N 4.21 -3.21 -0.98 10.12 0.63 -1.26 -1.24 116.66 124.93 2jwn n ARG 103 Ca -0.21 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 2jwn n ARG 103 Cb 0.51 -5.57 0.00 0.00 0.45 0.00 0.00 32.46 27.85 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 -1.19 0.64 3.25 5.14 0.00 -1.26 -5.01 105.19 106.76 2jwn n GLY 104 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.14 1.33 -0.23 1.61 1.70 -0.37 -5.10 118.95 117.75 2jwn s ARG 105 Ca 0.00 -0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 54.00 2jwn s ARG 105 Cb 0.00 -1.47 0.01 0.00 -0.57 0.00 0.00 34.95 32.92 2jwn s ARG 105 CO 0.00 0.37 1.07 0.99 -1.08 0.00 0.00 175.30 176.65 2jwn s THR 106 N -0.86 4.61 0.44 4.99 2.01 -1.26 -0.34 115.64 125.22 2jwn s THR 106 Ca 0.07 1.94 0.08 0.00 0.31 0.00 0.00 61.69 64.09 2jwn s THR 106 Cb -0.09 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.16 2jwn s THR 106 CO 0.02 -0.19 0.52 0.27 -0.69 0.00 0.00 174.62 174.55 2jwn s ILE 107 N 3.28 2.75 -0.11 1.82 -4.36 -0.86 -4.78 121.20 118.95 2jwn s ILE 107 Ca 0.46 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 2jwn s ILE 107 Cb -0.16 -2.89 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 2jwn s ILE 107 CO 0.08 0.00 -0.20 -0.54 0.24 0.00 0.00 174.94 174.52 2jwn s LYS 108 N -4.30 3.15 -0.22 0.37 -0.14 -1.05 -4.06 119.74 113.49 2jwn s LYS 108 Ca 0.53 -0.82 0.01 0.00 -1.36 0.00 0.00 55.97 54.33 2jwn s LYS 108 Cb -0.07 -2.41 0.05 0.00 -1.68 0.00 0.00 37.83 33.73 2jwn s LYS 108 CO 0.31 0.20 -0.07 0.08 -0.76 0.00 0.00 175.35 175.11 2jwn s VAL 109 N 0.33 1.52 0.02 3.17 1.01 0.25 -0.41 120.40 126.29 2jwn s VAL 109 Ca -0.16 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2jwn s VAL 109 Cb -0.17 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2jwn s VAL 109 CO 0.08 -0.00 -0.03 -1.48 0.00 0.00 0.00 175.10 173.66 2jwn s LEU 110 N 1.42 2.17 0.20 3.92 -0.00 -0.16 -3.82 118.68 122.41 2jwn s LEU 110 Ca -0.04 -0.36 -0.30 0.00 -0.00 0.00 0.00 54.13 53.44 2jwn s LEU 110 Cb -0.18 -0.01 -0.08 0.00 -0.00 0.00 0.00 46.19 45.93 2jwn s LEU 110 CO -0.07 -0.18 1.06 -2.16 -0.00 0.00 0.00 176.35 175.00 2jwn s PRO 111 N -1.02 4.66 -1.08 1.48 0.04 -1.26 0.52 135.00 138.33 2jwn s PRO 111 Ca -0.10 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 2jwn s PRO 111 Cb -0.07 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.29 2jwn s PRO 111 CO -0.00 0.20 1.44 0.21 0.04 0.00 0.00 177.00 178.88 2jwn s LYS 112 N -0.70 3.74 -0.07 4.56 2.20 -0.21 -4.81 119.74 124.46 2jwn s LYS 112 Ca 0.47 -1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.13 2jwn s LYS 112 Cb -0.29 -5.26 0.10 0.00 -1.51 0.00 0.00 37.83 30.87 2jwn s LYS 112 CO 0.35 -2.07 1.34 -0.98 -0.36 0.00 0.00 175.35 173.64 2jwn s ARG 113 N 3.86 0.14 0.19 4.03 1.70 -1.26 -4.23 118.95 123.39 2jwn s ARG 113 Ca 0.44 -0.09 0.04 0.00 -0.47 0.00 0.00 55.73 55.65 2jwn s ARG 113 Cb -0.01 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2jwn s ARG 113 CO -0.05 -0.07 0.30 -0.08 -1.08 0.00 0.00 175.30 174.32 2jwn s THR 114 N -2.01 5.17 0.04 4.99 -1.32 -1.25 -2.73 115.64 118.53 2jwn s THR 114 Ca 0.32 -0.89 -0.01 0.00 -1.21 0.00 0.00 61.69 59.90 2jwn s THR 114 Cb -0.00 -3.73 -0.03 0.00 -1.51 0.00 0.00 72.50 67.23 2jwn s THR 114 CO -0.02 -0.20 -0.03 0.21 -2.21 0.00 0.00 174.62 172.36 2jwn s ASN 115 N -3.56 0.42 -0.21 8.08 2.47 -1.26 -4.85 114.94 116.03 2jwn s ASN 115 Ca 0.34 -0.82 -0.31 0.00 0.42 0.00 0.00 52.86 52.49 2jwn s ASN 115 Cb -0.10 0.16 -0.08 0.00 -1.45 0.00 0.00 41.25 39.78 2jwn s ASN 115 CO 0.28 -0.49 2.15 0.80 -3.72 0.00 0.00 177.10 176.12 2jwn n MET 116 N 0.64 1.86 0.14 0.43 0.00 -1.26 -4.86 117.12 114.07 2jwn n MET 116 Ca -0.18 0.56 -0.01 0.00 -0.00 0.00 0.00 57.70 58.08 2jwn n MET 116 Cb 0.59 -2.94 0.19 0.00 0.00 0.00 0.00 33.22 31.06 2jwn n MET 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2jwn h PRO 117 N 13.17 0.00 0.00 2.12 0.11 -1.93 -3.48 132.00 141.99 2jwn h PRO 117 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2jwn h PRO 117 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jwn h PRO 117 CO 0.97 0.59 0.00 0.41 -0.21 0.00 0.00 178.00 179.76 2jwn n GLY 118 N 0.18 2.06 0.39 -0.55 0.00 -1.26 -4.41 105.19 101.59 2jwn n GLY 118 Ca -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2jwn n GLY 118 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jwn n ILE 119 N 0.00 0.22 -3.85 -0.61 -5.35 -1.26 -4.81 119.36 103.70 2jwn n ILE 119 Ca 0.00 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 2jwn n ILE 119 Cb 0.00 0.14 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 2jwn n ILE 119 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2jwn s SER 120 N -1.30 -0.02 0.00 7.28 0.15 -1.26 -5.17 113.70 113.38 2jwn s SER 120 Ca 0.23 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2jwn s SER 120 Cb 0.12 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2jwn s SER 120 CO 0.18 -0.86 0.00 -1.54 1.20 0.00 0.00 173.24 172.22 2jwn n SER 121 N -0.18 0.00 0.00 5.45 3.41 -1.26 -4.13 113.62 116.90 2jwn n SER 121 Ca -0.11 -0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 2jwn n SER 121 Cb 0.63 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.26 2jwn n SER 121 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jwn n THR 122 N 0.00 0.00 -2.50 6.66 -2.24 -1.26 -4.63 114.28 110.31 2jwn n THR 122 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jwn n THR 122 Cb 0.00 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 2jwn n THR 122 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jwn s ASP 123 N -1.98 6.25 0.00 3.42 -1.08 -1.26 -5.31 116.67 116.71 2jwn s ASP 123 Ca 0.34 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 2jwn s ASP 123 Cb 0.16 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 2jwn s ASP 123 CO 0.27 -1.66 0.10 -2.11 0.52 0.00 0.00 175.17 172.29