#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 4.49 -0.18 0.00 1.09 -1.26 -5.01 121.20 120.34 2jwn s ILE 2 Ca 0.00 0.79 -0.01 0.00 -1.10 0.00 0.00 60.65 60.33 2jwn s ILE 2 Cb 0.00 -4.42 -0.00 0.00 -1.06 0.00 0.00 42.46 36.98 2jwn s ILE 2 CO 0.00 -0.79 -0.12 0.00 -0.10 0.00 0.00 174.94 173.93 2jwn s ALA 3 N 3.70 2.60 0.30 9.38 0.00 -1.26 -5.10 121.76 131.39 2jwn s ALA 3 Ca 0.37 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 2jwn s ALA 3 Cb -0.10 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.53 2jwn s ALA 3 CO 0.25 -0.19 1.07 -2.14 0.00 0.00 0.00 175.76 174.76 2jwn s PRO 4 N 1.06 4.55 -0.88 0.00 0.02 -1.26 -4.97 135.00 133.52 2jwn s PRO 4 Ca -0.00 1.71 -0.22 0.00 0.02 0.00 0.00 61.00 62.50 2jwn s PRO 4 Cb -0.15 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.41 2jwn s PRO 4 CO -0.03 0.16 1.23 0.00 -0.33 0.00 0.00 177.00 178.03 2jwn s MET 6 N 4.24 3.52 -0.08 0.00 -1.94 -1.26 -4.98 119.30 118.80 2jwn s MET 6 Ca 0.36 0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 54.50 2jwn s MET 6 Cb -0.06 -3.98 0.04 0.00 2.01 0.00 0.00 34.83 32.84 2jwn s MET 6 CO -0.02 -1.46 0.05 1.14 -0.01 0.00 0.00 175.02 174.72 2jwn s GLN 7 N 4.34 0.17 -0.19 2.03 -2.07 -1.26 -5.10 119.66 117.58 2jwn s GLN 7 Ca 0.40 0.17 -0.28 0.00 -1.82 0.00 0.00 55.36 53.83 2jwn s GLN 7 Cb -0.09 -0.99 0.09 0.00 -1.09 0.00 0.00 33.01 30.93 2jwn s GLN 7 CO 0.26 -0.41 0.82 -0.08 -1.32 0.00 0.00 175.29 174.55 2jwn s THR 8 N 2.09 0.00 -0.84 3.63 -1.32 -1.26 -5.08 115.64 112.86 2jwn s THR 8 Ca 0.04 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.27 2jwn s THR 8 Cb -0.13 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.81 2jwn s THR 8 CO -0.05 0.00 1.98 -0.89 -2.21 0.00 0.00 174.62 173.45 2jwn s THR 9 N -0.39 3.39 -1.51 5.08 2.01 -1.26 -4.63 115.64 118.34 2jwn s THR 9 Ca -0.03 -0.25 0.17 0.00 0.31 0.00 0.00 61.69 61.89 2jwn s THR 9 Cb -0.03 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2jwn s THR 9 CO 0.02 -0.85 0.88 1.57 -0.69 0.00 0.00 174.62 175.56 2jwn n HIS 10 N 14.23 0.00 -2.76 4.92 -0.00 -1.26 -4.80 115.22 125.55 2jwn n HIS 10 Ca 0.38 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 2jwn n HIS 10 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.43 2jwn n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jwn s SER 11 N -2.09 6.32 0.00 0.26 0.15 -1.26 -4.88 113.70 112.20 2jwn s SER 11 Ca 0.14 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2jwn s SER 11 Cb 0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2jwn s SER 11 CO 0.47 -1.45 0.04 1.17 1.20 0.00 0.00 173.24 174.68 2jwn n LYS 12 N 7.97 0.00 -3.65 5.44 3.00 -1.26 -5.04 118.16 124.62 2jwn n LYS 12 Ca 0.09 0.24 -0.00 0.00 -0.00 0.00 0.00 58.31 58.64 2jwn n LYS 12 Cb 0.48 -0.77 -0.06 0.00 0.00 0.00 0.00 35.03 34.68 2jwn n LYS 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2jwn s MET 13 N -0.56 0.19 0.30 1.64 0.00 -1.26 -5.19 119.30 114.41 2jwn s MET 13 Ca 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 55.69 55.80 2jwn s MET 13 Cb 0.00 0.05 0.05 0.00 0.00 0.00 0.00 34.83 34.93 2jwn s MET 13 CO 0.00 -0.04 0.82 -0.08 0.00 0.00 0.00 175.02 175.73 2jwn s THR 14 N 0.98 0.00 -0.27 10.11 -1.32 -1.26 -5.00 115.64 118.88 2jwn s THR 14 Ca -0.06 -0.90 0.22 0.00 -1.21 0.00 0.00 61.69 59.74 2jwn s THR 14 Cb -0.03 -2.52 -0.16 0.00 -1.51 0.00 0.00 72.50 68.27 2jwn s THR 14 CO -0.12 0.00 0.82 0.00 -2.21 0.00 0.00 174.62 173.12 2jwn n ALA 15 N -0.53 2.91 0.00 11.08 0.00 -1.26 -5.08 120.51 127.64 2jwn n ALA 15 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2jwn n ALA 15 Cb 0.60 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.27 2.18 3.38 0.00 0.00 -1.26 -4.89 105.19 105.87 2jwn n GLY 16 Ca -0.01 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.64 3.39 0.26 4.61 0.00 -1.26 -5.01 121.76 121.11 2jwn s ALA 17 Ca 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 51.96 49.76 2jwn s ALA 17 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2jwn s ALA 17 CO 0.00 -2.40 0.10 1.52 0.00 0.00 0.00 175.76 174.98 2jwn s TYR 18 N 2.80 1.53 -0.36 0.00 -0.85 -1.26 -4.82 117.35 114.39 2jwn s TYR 18 Ca 0.13 -1.18 -0.00 0.00 -0.52 0.00 0.00 57.07 55.49 2jwn s TYR 18 Cb -0.23 -0.89 0.00 0.00 0.38 0.00 0.00 41.96 41.21 2jwn s TYR 18 CO 0.06 -0.34 0.34 2.41 -1.52 0.00 0.00 175.55 176.51 2jwn n THR 19 N -0.46 -5.52 0.00 -3.49 -1.04 -1.26 -3.96 114.28 98.55 2jwn n THR 19 Ca -0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2jwn n THR 19 Cb 0.66 -5.19 0.00 0.00 -1.82 0.00 0.00 70.33 63.98 2jwn n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jwn n GLU 20 N -1.37 0.00 0.00 -2.82 4.71 -1.26 -4.87 120.64 115.03 2jwn n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2jwn n GLU 20 Cb 0.50 -0.22 0.00 0.00 -1.01 0.00 0.00 31.44 30.71 2jwn n GLU 20 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jwn n GLY 21 N 0.00 1.62 0.34 0.62 0.00 -1.25 -4.41 105.19 102.10 2jwn n GLY 21 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jwn n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jwn n PRO 22 N 0.00 -0.20 -1.83 1.61 -0.04 -1.26 -4.64 135.00 128.64 2jwn n PRO 22 Ca 0.00 1.36 -0.38 0.00 -0.04 0.00 0.00 63.50 64.44 2jwn n PRO 22 Cb 0.00 -2.01 0.04 0.00 -0.04 0.00 0.00 33.50 31.49 2jwn n PRO 22 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2jwn s PRO 23 N -5.86 3.08 0.37 0.54 0.04 -1.26 -4.94 135.00 126.97 2jwn s PRO 23 Ca -0.12 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2jwn s PRO 23 Cb 0.18 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2jwn s PRO 23 CO 0.63 -1.21 1.24 -0.65 0.04 0.00 0.00 177.00 177.06 2jwn s GLN 24 N -3.00 4.16 -0.51 4.56 -0.21 -1.26 -4.84 119.66 118.55 2jwn s GLN 24 Ca 0.73 2.04 -0.28 0.00 0.02 0.00 0.00 55.36 57.87 2jwn s GLN 24 Cb -0.38 -2.85 -0.10 0.00 1.00 0.00 0.00 33.01 30.68 2jwn s GLN 24 CO 0.44 -0.29 2.40 -0.35 -2.12 0.00 0.00 175.29 175.37 2jwn n PRO 25 N 0.38 1.01 -2.03 2.91 -0.04 -1.26 -4.93 135.00 131.04 2jwn n PRO 25 Ca 0.02 0.11 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 2jwn n PRO 25 Cb 0.44 -2.98 0.07 0.00 -0.04 0.00 0.00 33.50 30.99 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 10.52 2.73 0.51 1.53 -0.00 -1.26 -5.05 118.68 127.65 2jwn s LEU 26 Ca 1.06 0.74 -0.17 0.00 -0.00 0.00 0.00 54.13 55.76 2jwn s LEU 26 Cb -0.46 -3.36 -0.08 0.00 -0.00 0.00 0.00 46.19 42.28 2jwn s LEU 26 CO 0.34 -1.64 0.99 -0.55 -0.00 0.00 0.00 176.35 175.49 2jwn s SER 27 N -4.50 6.58 0.46 1.48 0.15 -1.26 -4.93 113.70 111.68 2jwn s SER 27 Ca 0.60 1.63 0.26 0.00 0.70 0.00 0.00 55.95 59.14 2jwn s SER 27 Cb -0.11 -2.52 1.30 0.00 -1.71 0.00 0.00 66.02 62.99 2jwn s SER 27 CO 0.48 -0.62 1.77 0.00 1.20 0.00 0.00 173.24 176.07 2jwn h ALA 28 N 1.05 2.62 -0.21 5.45 0.00 -1.99 0.04 119.26 126.22 2jwn h ALA 28 Ca -0.47 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2jwn h ALA 28 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2jwn h ALA 28 CO 0.61 -1.03 -0.50 0.93 0.00 0.00 0.00 179.25 179.26 2jwn h GLU 29 N 0.22 0.57 -0.66 0.00 5.08 -2.00 -1.83 114.58 115.96 2jwn h GLU 29 Ca 0.61 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2jwn h GLU 29 Cb 1.91 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.15 2jwn h GLU 29 CO -0.20 0.94 0.44 0.93 -1.00 0.00 0.00 179.01 180.12 2jwn h GLU 30 N 0.45 0.83 -0.59 2.33 3.07 -1.37 -1.23 114.58 118.07 2jwn h GLU 30 Ca 0.02 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2jwn h GLU 30 Cb 1.04 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 2jwn h GLU 30 CO 0.10 0.55 0.23 0.87 -1.40 0.00 0.00 179.01 179.35 2jwn h LYS 31 N 0.85 0.88 -0.39 2.33 1.57 -0.91 -0.40 116.57 120.51 2jwn h LYS 31 Ca 0.25 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2jwn h LYS 31 Cb -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2jwn h LYS 31 CO -0.06 0.76 0.10 0.87 -0.57 0.00 0.00 179.45 180.55 2jwn h LYS 32 N 0.82 0.62 -0.46 3.15 6.56 -0.62 -1.04 116.57 125.60 2jwn h LYS 32 Ca 0.20 -0.15 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 2jwn h LYS 32 Cb 0.21 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2jwn h LYS 32 CO -0.01 0.64 0.03 0.93 -2.06 0.00 0.00 179.45 178.98 2jwn h GLU 33 N 0.49 0.79 -0.19 3.15 4.39 -0.88 0.12 114.58 122.45 2jwn h GLU 33 Ca 0.12 -0.24 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 2jwn h GLU 33 Cb 0.30 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2jwn h GLU 33 CO -0.00 0.83 -0.48 -0.84 -1.16 0.00 0.00 179.01 177.36 2jwn h ILE 34 N 0.65 1.32 -0.04 3.13 3.07 -1.09 -2.87 117.51 121.68 2jwn h ILE 34 Ca 0.13 -1.69 -0.15 0.00 1.55 0.00 0.00 64.86 64.70 2jwn h ILE 34 Cb 0.45 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 2jwn h ILE 34 CO 0.02 0.52 -0.67 -0.78 -1.05 0.00 0.00 178.15 176.19 2jwn h ASP 35 N 0.39 0.19 1.10 2.16 3.58 -0.69 -1.66 116.42 121.50 2jwn h ASP 35 Ca 0.02 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jwn h ASP 35 Cb 0.99 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2jwn h ASP 35 CO 0.09 0.81 0.00 0.11 -2.88 0.00 0.00 179.24 177.36 2jwn h LYS 36 N 0.12 0.00 -0.43 0.28 1.57 -0.70 -2.64 116.57 114.76 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jwn h LYS 36 CO 0.10 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.52 2jwn n ARG 37 N -2.96 2.69 -3.66 3.15 1.74 -0.70 -4.78 116.66 112.13 2jwn n ARG 37 Ca 0.01 -2.17 -0.32 0.00 -0.77 0.00 0.00 57.85 54.60 2jwn n ARG 37 Cb 0.32 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2jwn n ARG 37 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jwn s SER 38 N -1.02 6.50 0.20 0.55 0.01 -0.73 -0.20 113.70 119.01 2jwn s SER 38 Ca 0.30 0.60 0.06 0.00 1.31 0.00 0.00 55.95 58.23 2jwn s SER 38 Cb 0.16 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 2jwn s SER 38 CO 0.21 0.05 -0.11 0.68 0.41 0.00 0.00 173.24 174.48 2jwn s VAL 39 N -1.65 1.50 -0.24 3.43 -7.23 0.72 -0.71 120.40 116.22 2jwn s VAL 39 Ca 0.41 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2jwn s VAL 39 Cb -0.12 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2jwn s VAL 39 CO 0.24 -0.59 0.07 -0.47 -0.31 0.00 0.00 175.10 174.05 2jwn s TYR 40 N -3.12 3.10 -0.32 2.82 5.04 0.21 -2.16 117.35 122.92 2jwn s TYR 40 Ca 0.22 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.48 2jwn s TYR 40 Cb 0.01 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 40.15 2jwn s TYR 40 CO 0.06 -0.30 0.03 0.08 -1.34 0.00 0.00 175.55 174.08 2jwn s VAL 41 N 1.49 3.12 0.34 3.14 1.01 0.22 -0.98 120.40 128.74 2jwn s VAL 41 Ca 0.06 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.69 2jwn s VAL 41 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2jwn s VAL 41 CO 0.04 -0.18 0.24 -0.83 0.00 0.00 0.00 175.10 174.37 2jwn s GLY 42 N 1.32 1.86 -1.96 4.51 0.00 0.10 0.43 107.32 113.59 2jwn s GLY 42 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2jwn s GLY 42 CO -0.01 -1.65 0.00 -2.01 0.00 0.00 0.00 173.10 169.43 2jwn n ASN 43 N -1.30 -4.94 -4.74 1.64 5.15 -1.14 -2.67 115.26 107.27 2jwn n ASN 43 Ca -0.02 0.44 -0.42 0.00 -0.60 0.00 0.00 54.58 53.98 2jwn n ASN 43 Cb 0.60 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 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 -2.60 2.31 0.49 3.44 0.11 -0.93 -4.80 120.40 118.43 2jwn s VAL 44 Ca 0.00 0.25 -0.16 0.00 -2.93 0.00 0.00 61.98 59.14 2jwn s VAL 44 Cb 0.00 -3.16 -0.08 0.00 -1.53 0.00 0.00 36.38 31.61 2jwn s VAL 44 CO 0.00 0.03 0.96 -0.62 -3.33 0.00 0.00 175.10 172.14 2jwn s ASP 45 N 0.70 6.65 0.43 3.54 -1.08 -1.26 -3.22 116.67 122.43 2jwn s ASP 45 Ca 0.65 1.53 0.30 0.00 -0.52 0.00 0.00 52.55 54.52 2jwn s ASP 45 Cb -0.46 -2.49 1.42 0.00 -1.46 0.00 0.00 42.92 39.93 2jwn s ASP 45 CO 0.41 -0.54 1.90 0.22 0.52 0.00 0.00 175.17 177.68 2jwn h TYR 46 N 1.08 0.00 0.00 -5.34 5.03 -1.93 -1.00 116.97 114.81 2jwn h TYR 46 Ca -0.47 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.82 2jwn h TYR 46 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.46 2jwn h TYR 46 CO 0.63 0.00 -0.07 0.78 -1.32 0.00 0.00 178.16 178.18 2jwn h GLY 47 N 1.19 0.00 -4.36 1.82 0.00 -1.99 -3.42 103.07 96.31 2jwn h GLY 47 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2jwn h GLY 47 CO 0.00 0.00 -0.17 -0.56 0.00 0.00 0.00 176.54 175.81 2jwn s SER 48 N -5.81 6.73 0.49 0.19 0.01 -0.38 -5.07 113.70 109.85 2jwn s SER 48 Ca -0.02 0.93 0.02 0.00 1.31 0.00 0.00 55.95 58.19 2jwn s SER 48 Cb 0.11 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2jwn s SER 48 CO 0.54 0.14 0.06 0.42 0.41 0.00 0.00 173.24 174.81 2jwn s THR 49 N -1.43 0.80 0.12 1.44 -4.23 -1.26 -4.92 115.64 106.16 2jwn s THR 49 Ca 0.35 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.65 2jwn s THR 49 Cb -0.14 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.52 2jwn s THR 49 CO 0.19 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.97 2jwn h ALA 50 N 1.46 0.07 -0.73 3.99 0.00 -1.98 0.36 119.26 122.42 2jwn h ALA 50 Ca -0.40 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2jwn h ALA 50 Cb 1.31 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2jwn h ALA 50 CO 0.65 -0.50 0.45 1.96 0.00 0.00 0.00 179.25 181.81 2jwn h GLN 51 N -0.03 0.86 -0.52 0.00 4.20 -1.98 0.18 115.11 117.81 2jwn h GLN 51 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2jwn h GLN 51 Cb 0.14 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2jwn h GLN 51 CO -0.15 0.57 0.29 0.22 -0.67 0.00 0.00 178.83 179.08 2jwn h ASP 52 N 0.89 0.64 -0.19 1.46 1.82 -1.81 -1.78 116.42 117.44 2jwn h ASP 52 Ca 0.29 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 2jwn h ASP 52 Cb 0.03 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 2jwn h ASP 52 CO -0.11 0.54 -0.09 -0.07 -1.61 0.00 0.00 179.24 177.90 2jwn h LEU 53 N 0.69 0.41 -0.27 2.28 3.38 -0.54 -3.04 115.31 118.22 2jwn h LEU 53 Ca 0.18 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2jwn h LEU 53 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2jwn h LEU 53 CO -0.03 0.73 0.13 -0.33 0.09 0.00 0.00 178.44 179.02 2jwn h GLU 54 N 0.09 0.26 -0.40 1.13 5.08 -0.47 -1.95 114.58 118.33 2jwn h GLU 54 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2jwn h GLU 54 Cb 0.57 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2jwn h GLU 54 CO 0.03 0.17 0.11 0.00 -1.00 0.00 0.00 179.01 178.32 2jwn h ALA 55 N 1.14 0.45 -0.36 3.43 0.00 -1.36 0.61 119.26 123.18 2jwn h ALA 55 Ca 0.11 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2jwn h ALA 55 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jwn h ALA 55 CO -0.08 -0.29 -0.01 1.25 0.00 0.00 0.00 179.25 180.12 2jwn h HIS 56 N 0.25 0.59 0.00 0.00 -0.00 -1.38 -1.63 115.15 112.98 2jwn h HIS 56 Ca 0.19 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 2jwn h HIS 56 Cb 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2jwn h HIS 56 CO -0.18 0.58 -0.30 0.74 -0.00 0.00 0.00 177.93 178.78 2jwn h PHE 57 N 0.54 0.00 0.00 5.26 0.04 -0.53 -3.30 116.94 118.95 2jwn h PHE 57 Ca 0.11 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2jwn h PHE 57 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 2jwn h PHE 57 CO 0.01 0.16 -0.15 0.77 -0.60 0.00 0.00 178.31 178.51 2jwn h SER 58 N 0.00 0.00 -0.43 2.17 0.02 0.12 0.26 113.55 115.68 2jwn h SER 58 Ca -0.01 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2jwn h SER 58 Cb 1.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2jwn h SER 58 CO 0.02 0.15 0.29 0.28 -1.14 0.00 0.00 176.83 176.43 2jwn h SER 59 N 0.00 0.27 -0.20 3.07 0.02 -1.62 -2.01 113.55 113.09 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 0.34 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jwn h SER 59 CO 0.02 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 2jwn n GLY 61 N 1.18 0.58 3.58 0.00 0.00 -0.76 -4.58 105.19 105.20 2jwn n GLY 61 Ca 0.16 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2jwn n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jwn s SER 62 N -4.00 5.80 -0.04 1.61 0.01 -1.26 -4.23 113.70 111.59 2jwn s SER 62 Ca 0.00 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 2jwn s SER 62 Cb 0.00 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 2jwn s SER 62 CO 0.00 -0.00 1.03 -0.63 0.41 0.00 0.00 173.24 174.05 2jwn s ILE 63 N 1.46 4.70 -0.16 1.44 1.01 -1.26 -0.29 121.20 128.09 2jwn s ILE 63 Ca 0.07 1.95 -0.20 0.00 0.00 0.00 0.00 60.65 62.47 2jwn s ILE 63 Cb -0.15 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.84 2jwn s ILE 63 CO 0.07 0.09 0.43 -1.13 0.00 0.00 0.00 174.94 174.40 2jwn h ASN 64 N 6.96 0.16 -5.10 3.58 -0.73 -0.31 -3.44 115.58 116.71 2jwn h ASN 64 Ca -0.37 -0.73 -0.02 0.00 1.87 0.00 0.00 56.30 57.04 2jwn h ASN 64 Cb 1.19 -0.05 -0.10 0.00 0.27 0.00 0.00 38.32 39.63 2jwn h ASN 64 CO 0.80 1.49 0.02 -0.13 -0.37 0.00 0.00 177.43 179.24 2jwn s ARG 65 N -2.39 1.39 -0.13 6.67 0.52 -0.71 -4.97 118.95 119.32 2jwn s ARG 65 Ca -0.24 -0.89 -0.09 0.00 -0.52 0.00 0.00 55.73 53.99 2jwn s ARG 65 Cb 0.04 0.52 0.05 0.00 0.52 0.00 0.00 34.95 36.07 2jwn s ARG 65 CO 0.68 -0.59 0.33 -1.50 0.02 0.00 0.00 175.30 174.24 2jwn s ILE 66 N -3.88 -0.02 -0.07 1.52 2.07 -1.26 -0.24 121.20 119.32 2jwn s ILE 66 Ca 0.10 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 2jwn s ILE 66 Cb -0.01 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.09 2jwn s ILE 66 CO -0.02 0.03 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.98 2jwn s THR 67 N 0.95 1.46 -0.10 4.00 2.01 0.11 -4.99 115.64 119.09 2jwn s THR 67 Ca -0.06 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2jwn s THR 67 Cb -0.07 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2jwn s THR 67 CO -0.07 0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.55 2jwn s ILE 68 N 0.37 1.13 -0.08 1.82 1.09 -1.26 -0.05 121.20 124.22 2jwn s ILE 68 Ca -0.12 -0.40 0.05 0.00 -1.10 0.00 0.00 60.65 59.07 2jwn s ILE 68 Cb -0.15 -1.09 -0.00 0.00 -1.06 0.00 0.00 42.46 40.16 2jwn s ILE 68 CO 0.04 0.37 -0.23 -1.48 -0.10 0.00 0.00 174.94 173.54 2jwn s LEU 69 N 1.25 2.05 -0.13 2.97 2.34 0.21 -4.99 118.68 122.38 2jwn s LEU 69 Ca -0.03 -0.52 0.01 0.00 0.06 0.00 0.00 54.13 53.65 2jwn s LEU 69 Cb -0.14 -1.35 -0.00 0.00 -0.56 0.00 0.00 46.19 44.14 2jwn s LEU 69 CO -0.03 0.18 -0.18 0.00 -1.06 0.00 0.00 176.35 175.26 2jwn s ASP 71 N 0.60 5.36 0.00 0.00 1.47 0.89 -4.86 116.67 120.13 2jwn s ASP 71 Ca -0.10 -0.22 0.11 0.00 1.18 0.00 0.00 52.55 53.52 2jwn s ASP 71 Cb -0.16 -1.97 0.01 0.00 -0.34 0.00 0.00 42.92 40.46 2jwn s ASP 71 CO 0.03 -0.06 0.70 1.17 0.68 0.00 0.00 175.17 177.69 2jwn n LYS 72 N 4.96 1.83 0.33 2.11 4.81 -1.26 -0.51 118.16 130.43 2jwn n LYS 72 Ca -0.15 -0.71 0.21 0.00 -0.87 0.00 0.00 58.31 56.78 2jwn n LYS 72 Cb 0.51 -1.13 1.10 0.00 0.02 0.00 0.00 35.03 35.53 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 1.38 0.00 0.00 5.64 -5.15 -1.92 0.38 116.94 117.28 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 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 176.76 2jwn n SER 74 N -3.07 0.00 0.00 -0.68 2.88 -1.26 -4.92 113.62 106.57 2jwn n SER 74 Ca -0.03 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 2jwn n SER 74 Cb 0.16 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 1.09 2.53 3.61 0.46 0.00 0.12 -4.91 105.19 108.11 2jwn n GLY 75 Ca 0.17 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 3.26 -0.10 1.61 3.76 -1.26 -4.97 115.29 117.59 2jwn s HIS 76 Ca 0.00 0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 55.07 2jwn s HIS 76 Cb 0.00 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 2jwn s HIS 76 CO 0.00 -0.21 1.57 -1.25 -0.85 0.00 0.00 174.74 174.00 2jwn s PRO 77 N 2.02 4.14 0.17 8.40 0.04 -1.26 -4.72 135.00 143.80 2jwn s PRO 77 Ca 0.16 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2jwn s PRO 77 Cb -0.16 -3.95 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2jwn s PRO 77 CO 0.10 -0.88 0.39 0.15 0.04 0.00 0.00 177.00 176.79 2jwn s LYS 78 N 4.02 3.58 0.03 4.56 1.02 0.33 -4.70 119.74 128.57 2jwn s LYS 78 Ca 0.70 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.55 2jwn s LYS 78 Cb -0.30 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2jwn s LYS 78 CO 0.26 0.43 -0.14 0.20 -0.92 0.00 0.00 175.35 175.19 2jwn s GLY 79 N -2.74 0.75 -0.07 -3.33 0.00 -1.20 -0.08 107.32 100.64 2jwn s GLY 79 Ca 0.40 -0.76 -0.17 0.00 0.00 0.00 0.00 44.72 44.19 2jwn s GLY 79 CO 0.27 -0.71 0.41 -2.52 0.00 0.00 0.00 173.10 170.55 2jwn s TYR 80 N -0.71 -0.37 0.09 1.90 1.13 -0.40 -2.18 117.35 116.81 2jwn s TYR 80 Ca 0.02 0.73 0.04 0.00 -1.41 0.00 0.00 57.07 56.45 2jwn s TYR 80 Cb -0.07 0.17 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 2jwn s TYR 80 CO 0.01 -0.37 -0.10 0.00 -2.51 0.00 0.00 175.55 172.58 2jwn s ALA 81 N -0.73 1.06 -0.12 9.51 0.00 0.17 -0.62 121.76 131.03 2jwn s ALA 81 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.77 2jwn s ALA 81 Cb -0.04 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2jwn s ALA 81 CO 0.04 -0.01 -0.12 0.71 0.00 0.00 0.00 175.76 176.37 2jwn s TYR 82 N -2.18 1.82 -0.06 0.00 1.51 0.93 0.69 117.35 120.06 2jwn s TYR 82 Ca 0.03 -0.91 0.05 0.00 -1.01 0.00 0.00 57.07 55.23 2jwn s TYR 82 Cb -0.04 -1.38 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 2jwn s TYR 82 CO 0.00 -0.52 -0.21 0.42 -1.11 0.00 0.00 175.55 174.13 2jwn s ILE 83 N 1.32 1.77 -0.15 2.71 1.01 -0.92 0.09 121.20 127.03 2jwn s ILE 83 Ca -0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 2jwn s ILE 83 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 2jwn s ILE 83 CO -0.06 0.50 0.10 -1.61 0.00 0.00 0.00 174.94 173.87 2jwn s GLU 84 N 0.04 3.73 0.25 2.79 8.01 0.67 -0.20 118.70 133.98 2jwn s GLU 84 Ca -0.07 -0.25 0.06 0.00 0.01 0.00 0.00 54.97 54.72 2jwn s GLU 84 Cb -0.14 -3.20 -0.03 0.00 -4.31 0.00 0.00 34.13 26.45 2jwn s GLU 84 CO 0.04 0.50 0.30 -0.06 0.01 0.00 0.00 175.26 176.04 2jwn s PHE 85 N -0.24 3.29 0.27 1.61 0.40 0.72 0.38 117.98 124.42 2jwn s PHE 85 Ca 0.09 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2jwn s PHE 85 Cb -0.12 -1.52 0.38 0.00 0.51 0.00 0.00 43.02 42.27 2jwn s PHE 85 CO 0.01 0.45 1.85 0.00 0.70 0.00 0.00 175.22 178.23 2jwn h ALA 86 N 1.29 1.23 -3.44 5.36 0.00 -0.94 -3.41 119.26 119.34 2jwn h ALA 86 Ca -0.50 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 53.58 2jwn h ALA 86 Cb 1.23 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2jwn h ALA 86 CO 0.61 0.56 -0.70 -1.21 0.00 0.00 0.00 179.25 178.51 2jwn s GLU 87 N -5.41 2.37 0.22 0.00 2.02 -1.26 -5.01 118.70 111.64 2jwn s GLU 87 Ca -0.11 -0.91 0.09 0.00 0.02 0.00 0.00 54.97 54.06 2jwn s GLU 87 Cb 0.16 -2.44 0.18 0.00 0.10 0.00 0.00 34.13 32.13 2jwn s GLU 87 CO 0.80 0.53 1.51 -0.09 0.02 0.00 0.00 175.26 178.03 2jwn h ARG 88 N 3.54 0.00 0.00 1.61 1.12 -1.86 -2.83 114.38 115.96 2jwn h ARG 88 Ca -0.48 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.38 2jwn h ARG 88 Cb 1.17 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.12 2jwn h ARG 88 CO 0.56 0.74 -0.04 -0.91 -3.11 0.00 0.00 179.97 177.21 2jwn h ASN 89 N 0.00 0.00 0.07 -3.80 4.21 -1.94 -1.36 115.58 112.76 2jwn h ASN 89 Ca -0.01 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.36 2jwn h ASN 89 Cb 1.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.50 2jwn h ASN 89 CO 0.10 0.04 -0.49 0.28 -1.29 0.00 0.00 177.43 176.07 2jwn h SER 90 N 0.00 0.52 -0.46 5.81 0.02 -1.74 -2.63 113.55 115.06 2jwn h SER 90 Ca -0.00 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 2jwn h SER 90 Cb 0.41 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2jwn h SER 90 CO 0.01 0.93 -0.01 -0.37 -1.14 0.00 0.00 176.83 176.25 2jwn h VAL 91 N 0.38 1.25 -0.92 2.27 -1.51 -1.33 -0.39 116.25 116.01 2jwn h VAL 91 Ca 0.02 -1.07 0.08 0.00 -1.23 0.00 0.00 66.70 64.50 2jwn h VAL 91 Cb 1.00 0.86 -0.06 0.00 -2.13 0.00 0.00 31.29 30.96 2jwn h VAL 91 CO 0.09 0.38 0.59 -0.78 -1.23 0.00 0.00 177.57 176.62 2jwn h ASP 92 N 0.82 0.87 0.57 4.19 1.82 -1.33 0.50 116.42 123.86 2jwn h ASP 92 Ca 0.15 0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.65 2jwn h ASP 92 Cb 0.50 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 2jwn h ASP 92 CO 0.02 0.53 -0.71 0.00 -1.61 0.00 0.00 179.24 177.47 2jwn h ALA 93 N 1.53 0.77 0.02 -0.78 0.00 -0.99 -2.87 119.26 116.94 2jwn h ALA 93 Ca 0.41 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2jwn h ALA 93 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jwn h ALA 93 CO -0.17 0.84 -0.56 0.00 0.00 0.00 0.00 179.25 179.35 2jwn h ALA 94 N 1.19 0.05 0.00 0.00 0.00 0.38 -3.19 119.26 117.69 2jwn h ALA 94 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jwn h ALA 94 Cb 1.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jwn h ALA 94 CO 0.10 0.31 -0.02 -0.39 0.00 0.00 0.00 179.25 179.25 2jwn h VAL 95 N -0.21 0.18 0.00 0.00 -1.51 -0.13 0.85 116.25 115.43 2jwn h VAL 95 Ca -0.07 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2jwn h VAL 95 Cb 1.30 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2jwn h VAL 95 CO 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.47 2jwn n ALA 96 N -2.15 1.53 -0.40 5.19 0.00 -1.08 -1.34 120.51 122.25 2jwn n ALA 96 Ca -0.02 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2jwn n ALA 96 Cb 0.14 -1.20 0.30 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.55 2.97 -0.26 0.00 2.81 0.29 -4.64 117.12 116.74 2jwn n MET 97 Ca 0.03 -2.60 0.07 0.00 -1.81 0.00 0.00 57.70 53.39 2jwn n MET 97 Cb 0.14 -1.58 0.19 0.00 -0.71 0.00 0.00 33.22 31.25 2jwn n MET 97 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jwn h ASP 98 N 3.74 -0.24 -3.12 7.83 2.03 -1.31 -3.12 116.42 122.23 2jwn h ASP 98 Ca 0.00 0.19 -0.73 0.00 -0.73 0.00 0.00 57.03 55.76 2jwn h ASP 98 Cb 1.05 0.31 -0.22 0.00 -0.83 0.00 0.00 39.33 39.64 2jwn h ASP 98 CO 0.05 -0.16 0.31 -0.70 -1.03 0.00 0.00 179.24 177.71 2jwn s GLU 99 N -6.07 3.42 0.10 4.15 2.56 -1.26 -3.92 118.70 117.67 2jwn s GLU 99 Ca -0.13 -1.90 -0.11 0.00 0.00 0.00 0.00 54.97 52.83 2jwn s GLU 99 Cb 0.23 -4.52 0.01 0.00 2.00 0.00 0.00 34.13 31.85 2jwn s GLU 99 CO 0.76 -1.51 0.25 0.95 -0.56 0.00 0.00 175.26 175.15 2jwn s THR 100 N 1.68 0.12 -0.19 -1.70 -4.23 -1.18 -5.07 115.64 105.07 2jwn s THR 100 Ca 0.20 -1.01 -0.05 0.00 -1.18 0.00 0.00 61.69 59.65 2jwn s THR 100 Cb -0.13 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 2jwn s THR 100 CO -0.04 -0.56 0.01 0.54 -0.54 0.00 0.00 174.62 174.03 2jwn s VAL 101 N -3.84 4.08 -0.09 2.29 0.11 -1.26 -1.41 120.40 120.28 2jwn s VAL 101 Ca 0.04 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2jwn s VAL 101 Cb 0.04 -2.84 0.03 0.00 -1.53 0.00 0.00 36.38 32.08 2jwn s VAL 101 CO -0.11 0.44 -0.02 0.12 -3.33 0.00 0.00 175.10 172.19 2jwn s PHE 102 N 0.84 0.96 -1.20 1.54 5.36 0.14 -4.82 117.98 120.80 2jwn s PHE 102 Ca 0.01 -0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 55.54 2jwn s PHE 102 Cb -0.14 -0.96 -0.02 0.00 -0.34 0.00 0.00 43.02 41.57 2jwn s PHE 102 CO 0.02 -0.40 0.81 -2.13 -1.46 0.00 0.00 175.22 172.05 2jwn n ARG 103 N 5.08 -3.78 -0.14 10.12 0.63 -1.26 -2.69 116.66 124.62 2jwn n ARG 103 Ca -0.09 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2jwn n ARG 103 Cb 0.50 -5.20 0.00 0.00 0.45 0.00 0.00 32.46 28.21 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 -1.46 2.05 3.23 5.14 0.00 -1.26 -4.91 105.19 107.97 2jwn n GLY 104 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 1.00 -0.14 1.61 1.70 -1.09 -5.11 118.95 116.88 2jwn s ARG 105 Ca 0.00 -1.29 -0.25 0.00 -0.47 0.00 0.00 55.73 53.71 2jwn s ARG 105 Cb 0.00 -0.73 -0.02 0.00 -0.57 0.00 0.00 34.95 33.63 2jwn s ARG 105 CO 0.00 0.12 0.83 0.99 -1.08 0.00 0.00 175.30 176.16 2jwn s THR 106 N -2.59 4.91 0.46 4.99 2.01 -1.26 0.26 115.64 124.40 2jwn s THR 106 Ca 0.11 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.83 2jwn s THR 106 Cb -0.02 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2jwn s THR 106 CO 0.02 0.07 0.57 0.27 -0.69 0.00 0.00 174.62 174.86 2jwn s ILE 107 N 1.83 2.70 -0.04 1.82 -4.36 -0.50 -4.80 121.20 117.86 2jwn s ILE 107 Ca 0.39 -1.09 0.03 0.00 -0.26 0.00 0.00 60.65 59.72 2jwn s ILE 107 Cb -0.17 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.75 2jwn s ILE 107 CO 0.15 0.00 -0.11 -0.54 0.24 0.00 0.00 174.94 174.68 2jwn s LYS 108 N -4.37 1.25 -0.11 0.37 -0.14 -1.09 -4.03 119.74 111.63 2jwn s LYS 108 Ca 0.54 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 54.79 2jwn s LYS 108 Cb -0.07 -1.12 0.01 0.00 -1.68 0.00 0.00 37.83 34.97 2jwn s LYS 108 CO 0.33 0.12 -0.16 0.08 -0.76 0.00 0.00 175.35 174.95 2jwn s VAL 109 N 0.27 1.55 0.13 3.17 1.01 -1.25 0.03 120.40 125.33 2jwn s VAL 109 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2jwn s VAL 109 Cb -0.11 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2jwn s VAL 109 CO 0.01 0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 174.76 2jwn s LEU 110 N 0.91 2.36 0.28 3.92 1.43 -0.15 -4.34 118.68 123.10 2jwn s LEU 110 Ca -0.08 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 2jwn s LEU 110 Cb -0.15 -0.10 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 2jwn s LEU 110 CO -0.01 -0.49 1.06 -2.84 0.23 0.00 0.00 176.35 174.31 2jwn s PRO 111 N -3.85 4.65 0.35 1.29 0.02 -1.26 0.64 135.00 136.83 2jwn s PRO 111 Ca 0.17 1.72 0.13 0.00 0.02 0.00 0.00 61.00 63.03 2jwn s PRO 111 Cb 0.05 -3.15 0.63 0.00 0.02 0.00 0.00 34.50 32.05 2jwn s PRO 111 CO -0.01 0.25 1.77 -0.22 -0.33 0.00 0.00 177.00 178.45 2jwn h LYS 112 N 3.77 0.00 -5.78 5.54 3.64 -1.13 -3.39 116.57 119.23 2jwn h LYS 112 Ca -0.46 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.30 2jwn h LYS 112 Cb 1.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 2jwn h LYS 112 CO 0.67 0.44 0.36 -0.98 -2.27 0.00 0.00 179.45 177.66 2jwn s ARG 113 N -4.00 3.62 0.14 1.90 1.04 -1.25 -5.00 118.95 115.41 2jwn s ARG 113 Ca -0.02 0.15 -0.07 0.00 -1.04 0.00 0.00 55.73 54.75 2jwn s ARG 113 Cb 0.14 -3.86 -0.02 0.00 -2.04 0.00 0.00 34.95 29.17 2jwn s ARG 113 CO 0.73 -0.95 0.21 0.95 -0.04 0.00 0.00 175.30 176.20 2jwn s THR 114 N 3.16 0.09 -0.30 4.99 -4.23 -1.26 -5.08 115.64 113.01 2jwn s THR 114 Ca 0.31 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 2jwn s THR 114 Cb -0.13 -1.82 0.18 0.00 1.34 0.00 0.00 72.50 72.08 2jwn s THR 114 CO 0.19 -0.40 0.52 0.21 -0.54 0.00 0.00 174.62 174.60 2jwn s ASN 115 N -2.97 -0.81 -0.36 3.99 3.84 -1.26 -5.11 114.94 112.26 2jwn s ASN 115 Ca 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 52.86 53.09 2jwn s ASN 115 Cb 0.05 1.65 0.09 0.00 -0.55 0.00 0.00 41.25 42.48 2jwn s ASN 115 CO -0.01 -0.31 0.11 -0.32 -2.79 0.00 0.00 177.10 173.78 2jwn s MET 116 N 2.62 2.07 -0.02 0.43 1.75 -1.26 -5.08 119.30 119.81 2jwn s MET 116 Ca 0.10 -1.64 -0.30 0.00 -1.25 0.00 0.00 55.69 52.61 2jwn s MET 116 Cb -0.11 -3.39 -0.05 0.00 2.84 0.00 0.00 34.83 34.13 2jwn s MET 116 CO -0.26 -0.90 1.41 -2.14 -0.65 0.00 0.00 175.02 172.48 2jwn s PRO 117 N 1.14 4.27 0.00 4.11 0.02 -1.26 -5.00 135.00 138.29 2jwn s PRO 117 Ca 0.04 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2jwn s PRO 117 Cb -0.21 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.69 2jwn s PRO 117 CO -0.04 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2jwn n GLY 118 N 3.68 0.60 2.98 0.52 0.00 -1.26 -5.09 105.19 106.61 2jwn n GLY 118 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.86 -0.74 -0.23 -0.61 2.07 -1.26 -5.10 121.20 117.19 2jwn s ILE 119 Ca 0.00 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2jwn s ILE 119 Cb 0.00 -0.95 0.10 0.00 0.13 0.00 0.00 42.46 41.74 2jwn s ILE 119 CO 0.00 -0.16 0.21 -0.44 -1.91 0.00 0.00 174.94 172.64 2jwn s SER 120 N 2.64 1.91 -0.53 4.50 0.01 -1.26 -5.10 113.70 115.87 2jwn s SER 120 Ca 0.12 -0.56 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 2jwn s SER 120 Cb -0.13 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.35 2jwn s SER 120 CO -0.25 -0.36 0.95 -0.44 0.41 0.00 0.00 173.24 173.55 2jwn s SER 121 N 2.27 6.38 -0.34 2.44 0.01 -1.26 -4.92 113.70 118.29 2jwn s SER 121 Ca 0.07 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.14 2jwn s SER 121 Cb -0.15 -2.44 0.16 0.00 0.21 0.00 0.00 66.02 63.79 2jwn s SER 121 CO -0.20 -1.19 0.42 -0.89 0.41 0.00 0.00 173.24 171.79 2jwn s THR 122 N 3.94 -0.55 0.02 1.44 2.01 -1.26 -5.14 115.64 116.11 2jwn s THR 122 Ca 0.32 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 2jwn s THR 122 Cb -0.12 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.69 2jwn s THR 122 CO 0.21 -0.38 0.29 1.51 -0.69 0.00 0.00 174.62 175.57 2jwn s ASP 123 N 1.99 -0.13 0.00 3.53 1.47 -1.26 -5.32 116.67 116.95 2jwn s ASP 123 Ca 0.13 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.75 2jwn s ASP 123 Cb -0.12 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.79 2jwn s ASP 123 CO -0.17 -0.55 0.13 -1.14 0.68 0.00 0.00 175.17 174.12