#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwn s ILE 2 N 0.00 5.22 -0.09 0.00 2.07 -1.26 -5.08 121.20 122.06 2jwn s ILE 2 Ca 0.00 0.12 -0.00 0.00 -1.41 0.00 0.00 60.65 59.36 2jwn s ILE 2 Cb 0.00 -3.37 0.02 0.00 0.13 0.00 0.00 42.46 39.24 2jwn s ILE 2 CO 0.00 0.45 -0.06 0.00 -1.91 0.00 0.00 174.94 173.42 2jwn s ALA 3 N 0.33 1.11 -0.35 1.50 0.00 -1.26 -5.09 121.76 117.99 2jwn s ALA 3 Ca 0.07 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 2jwn s ALA 3 Cb -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2jwn s ALA 3 CO -0.01 -0.34 1.92 -2.14 0.00 0.00 0.00 175.76 175.19 2jwn s PRO 4 N 1.61 3.14 -0.61 0.00 0.02 -1.26 -4.94 135.00 132.95 2jwn s PRO 4 Ca 0.02 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.41 2jwn s PRO 4 Cb -0.13 -4.28 0.16 0.00 0.02 0.00 0.00 34.50 30.27 2jwn s PRO 4 CO -0.06 -2.09 0.47 0.00 -0.33 0.00 0.00 177.00 174.99 2jwn n MET 6 N 4.11 -0.23 0.00 0.00 2.81 -1.26 -4.99 117.12 117.56 2jwn n MET 6 Ca 0.03 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2jwn n MET 6 Cb 0.41 -0.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 2jwn n MET 6 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2jwn n GLN 7 N -1.90 0.00 -0.88 0.03 6.02 -1.26 -4.87 117.38 114.51 2jwn n GLN 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jwn n GLN 7 Cb 0.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.31 2jwn n GLN 7 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2jwn n THR 8 N -1.58 0.00 -3.05 5.09 -1.04 -1.26 -4.95 114.28 107.49 2jwn n THR 8 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2jwn n THR 8 Cb 0.00 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.09 2jwn n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jwn s THR 9 N -2.04 4.73 -0.33 12.58 -1.32 -1.26 -4.95 115.64 123.05 2jwn s THR 9 Ca 0.00 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2jwn s THR 9 Cb 0.00 -4.31 0.17 0.00 -1.51 0.00 0.00 72.50 66.84 2jwn s THR 9 CO 0.00 -0.78 0.45 -1.38 -2.21 0.00 0.00 174.62 170.71 2jwn s HIS 10 N 3.05 -1.02 -0.16 9.09 -3.43 -1.26 -4.98 115.29 116.58 2jwn s HIS 10 Ca 0.23 0.09 0.15 0.00 -0.80 0.00 0.00 55.06 54.73 2jwn s HIS 10 Cb -0.15 -0.10 0.34 0.00 -1.43 0.00 0.00 32.58 31.23 2jwn s HIS 10 CO 0.17 -1.02 1.17 0.43 -2.00 0.00 0.00 174.74 173.50 2jwn n SER 11 N 4.93 2.01 -3.69 7.38 7.64 -1.26 -4.93 113.62 125.70 2jwn n SER 11 Ca 0.05 -3.36 -0.42 0.00 1.01 0.00 0.00 58.87 56.15 2jwn n SER 11 Cb 0.50 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 2jwn n SER 11 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jwn n LYS 12 N -1.23 2.65 -3.39 1.43 0.00 -1.26 -4.68 118.16 111.67 2jwn n LYS 12 Ca 0.17 -2.45 -0.15 0.00 -0.00 0.00 0.00 58.31 55.87 2jwn n LYS 12 Cb 0.67 -3.21 -0.09 0.00 -0.00 0.00 0.00 35.03 32.40 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 3.46 0.32 -0.02 -1.58 1.75 -1.26 -5.01 119.30 116.97 2jwn s MET 13 Ca 0.49 0.05 0.12 0.00 -1.25 0.00 0.00 55.69 55.10 2jwn s MET 13 Cb 0.14 -0.66 -0.18 0.00 2.84 0.00 0.00 34.83 36.98 2jwn s MET 13 CO -0.05 -0.92 0.27 2.41 -0.65 0.00 0.00 175.02 176.07 2jwn n THR 14 N 5.33 0.00 0.00 10.11 -1.04 -1.26 -4.99 114.28 122.42 2jwn n THR 14 Ca -0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2jwn n THR 14 Cb 0.48 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 2jwn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jwn n ALA 15 N -1.88 0.00 -0.98 2.41 0.00 -1.26 -4.51 120.51 114.29 2jwn n ALA 15 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jwn n ALA 15 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 0.13 0.01 0.00 0.00 -1.26 -5.04 105.19 99.03 2jwn n GLY 16 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.67 1.96 -1.38 4.61 0.00 -1.26 -5.00 120.51 118.77 2jwn n ALA 17 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2jwn n ALA 17 Cb 0.33 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2jwn n ALA 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jwn n TYR 18 N -2.08 0.00 -2.03 0.00 4.01 -1.26 -4.65 117.16 111.15 2jwn n TYR 18 Ca -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.65 2jwn n TYR 18 Cb 0.56 -2.52 -0.05 0.00 -0.31 0.00 0.00 39.34 37.01 2jwn n TYR 18 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jwn n THR 19 N -2.50 0.00 -0.20 -0.72 -2.24 -1.26 -5.02 114.28 102.34 2jwn n THR 19 Ca -0.13 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 2jwn n THR 19 Cb 0.49 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.15 2jwn n THR 19 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jwn h GLU 20 N 0.08 -0.21 0.00 -0.78 3.07 -1.95 -3.47 114.58 111.31 2jwn h GLU 20 Ca -0.53 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.40 2jwn h GLU 20 Cb 1.36 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.30 2jwn h GLU 20 CO -0.27 -0.14 -0.08 0.41 -1.40 0.00 0.00 179.01 177.53 2jwn n GLY 21 N -1.28 -2.11 0.46 -3.84 0.00 -1.26 -4.19 105.19 92.97 2jwn n GLY 21 Ca -0.01 -1.43 0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 0.22 -6.94 1.61 0.11 -2.08 -3.45 132.00 121.47 2jwn h PRO 22 Ca 0.00 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.65 2jwn h PRO 22 Cb 0.20 -0.05 0.05 0.00 0.11 0.00 0.00 31.00 31.31 2jwn h PRO 22 CO 0.00 0.14 0.04 -1.25 -0.21 0.00 0.00 178.00 176.73 2jwn s PRO 23 N -5.27 2.67 0.03 1.05 0.04 -1.26 -5.10 135.00 127.16 2jwn s PRO 23 Ca -0.07 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 60.53 2jwn s PRO 23 Cb 0.25 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2jwn s PRO 23 CO 0.80 -0.70 -0.08 -0.65 0.04 0.00 0.00 177.00 176.40 2jwn s GLN 24 N -4.85 0.57 -0.64 4.56 -0.21 -1.26 -5.01 119.66 112.82 2jwn s GLN 24 Ca 0.55 -0.63 -0.27 0.00 0.02 0.00 0.00 55.36 55.04 2jwn s GLN 24 Cb -0.10 -0.44 -0.01 0.00 1.00 0.00 0.00 33.01 33.45 2jwn s GLN 24 CO 0.41 0.10 1.76 -1.25 -2.12 0.00 0.00 175.29 174.18 2jwn s PRO 25 N -1.17 2.73 -0.01 2.91 0.04 -1.26 -4.92 135.00 133.33 2jwn s PRO 25 Ca -0.05 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.42 2jwn s PRO 25 Cb -0.08 -4.38 0.01 0.00 0.04 0.00 0.00 34.50 30.10 2jwn s PRO 25 CO 0.00 -2.65 0.00 -0.51 0.04 0.00 0.00 177.00 173.89 2jwn s LEU 26 N 8.50 1.73 0.68 -3.56 1.02 -1.26 -5.13 118.68 120.66 2jwn s LEU 26 Ca 0.61 -0.00 -0.11 0.00 0.02 0.00 0.00 54.13 54.65 2jwn s LEU 26 Cb -0.12 -0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.03 2jwn s LEU 26 CO 0.19 -0.03 1.06 -0.55 0.02 0.00 0.00 176.35 177.04 2jwn s SER 27 N 0.31 5.52 0.32 2.29 0.15 -1.26 -4.87 113.70 116.15 2jwn s SER 27 Ca -0.03 1.58 0.09 0.00 0.70 0.00 0.00 55.95 58.30 2jwn s SER 27 Cb -0.04 -2.48 0.88 0.00 -1.71 0.00 0.00 66.02 62.67 2jwn s SER 27 CO -0.01 -1.35 1.72 0.00 1.20 0.00 0.00 173.24 174.80 2jwn h ALA 28 N -0.65 1.77 -0.00 5.45 0.00 -2.01 -0.06 119.26 123.76 2jwn h ALA 28 Ca -0.44 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2jwn h ALA 28 Cb 1.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2jwn h ALA 28 CO 0.58 -0.29 -0.77 0.93 0.00 0.00 0.00 179.25 179.69 2jwn h GLU 29 N 0.55 0.03 -0.59 0.00 5.08 -1.99 -1.40 114.58 116.26 2jwn h GLU 29 Ca 0.64 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 59.02 2jwn h GLU 29 Cb 1.24 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2jwn h GLU 29 CO -0.49 0.79 0.39 0.93 -1.00 0.00 0.00 179.01 179.63 2jwn h GLU 30 N 0.02 0.60 -0.14 2.33 3.07 -1.39 -1.01 114.58 118.05 2jwn h GLU 30 Ca -0.01 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.61 2jwn h GLU 30 Cb 1.37 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2jwn h GLU 30 CO 0.10 0.40 -0.74 0.87 -1.40 0.00 0.00 179.01 178.24 2jwn h LYS 31 N 0.62 0.65 -0.26 2.33 1.57 -0.85 -2.49 116.57 118.15 2jwn h LYS 31 Ca 0.25 -0.52 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 2jwn h LYS 31 Cb 0.20 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2jwn h LYS 31 CO -0.07 1.14 -0.20 0.87 -0.57 0.00 0.00 179.45 180.62 2jwn h LYS 32 N 0.45 0.59 -0.66 3.15 1.79 -0.52 -2.46 116.57 118.90 2jwn h LYS 32 Ca -0.04 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.11 2jwn h LYS 32 Cb 1.34 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 2jwn h LYS 32 CO 0.14 0.87 0.27 0.93 -1.08 0.00 0.00 179.45 180.58 2jwn h GLU 33 N 0.30 0.96 -0.19 3.15 4.39 -1.24 -0.95 114.58 121.01 2jwn h GLU 33 Ca 0.05 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 2jwn h GLU 33 Cb 0.74 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2jwn h GLU 33 CO 0.05 0.78 -0.52 -0.84 -1.16 0.00 0.00 179.01 177.32 2jwn h ILE 34 N 0.95 1.32 0.00 3.13 3.07 -1.37 -2.84 117.51 121.77 2jwn h ILE 34 Ca 0.22 -1.76 -0.14 0.00 1.55 0.00 0.00 64.86 64.74 2jwn h ILE 34 Cb 0.18 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 38.45 2jwn h ILE 34 CO -0.02 0.55 -0.65 -2.24 -1.05 0.00 0.00 178.15 174.74 2jwn h ASP 35 N 0.42 0.00 0.54 2.16 3.04 -1.01 -1.66 116.42 119.90 2jwn h ASP 35 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2jwn h ASP 35 Cb 1.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.34 2jwn h ASP 35 CO 0.10 0.65 0.00 0.11 -2.04 0.00 0.00 179.24 178.06 2jwn h LYS 36 N 0.00 0.00 0.00 4.15 1.57 -1.03 -2.27 116.57 118.99 2jwn h LYS 36 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2jwn h LYS 36 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 2jwn h LYS 36 CO 0.08 0.00 -0.43 2.89 -0.57 0.00 0.00 179.45 181.43 2jwn n ARG 37 N -2.97 1.09 -4.06 3.15 1.85 -1.06 -4.94 116.66 109.72 2jwn n ARG 37 Ca -0.01 -2.65 -0.24 0.00 -1.00 0.00 0.00 57.85 53.95 2jwn n ARG 37 Cb 0.19 -1.23 -0.04 0.00 -1.05 0.00 0.00 32.46 30.33 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 -2.71 5.74 0.13 2.89 0.15 -0.65 -1.64 113.70 117.61 2jwn s SER 38 Ca 0.32 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.91 2jwn s SER 38 Cb 0.31 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2jwn s SER 38 CO -0.05 0.01 -0.12 -0.69 1.20 0.00 0.00 173.24 173.60 2jwn s VAL 39 N -1.90 1.18 -0.20 4.45 1.01 0.10 -1.16 120.40 123.88 2jwn s VAL 39 Ca 0.32 -1.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 2jwn s VAL 39 Cb -0.09 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2jwn s VAL 39 CO 0.25 -0.59 0.02 -0.47 0.00 0.00 0.00 175.10 174.32 2jwn s TYR 40 N -2.70 3.09 -0.30 5.22 5.04 0.25 -0.87 117.35 127.08 2jwn s TYR 40 Ca 0.11 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2jwn s TYR 40 Cb -0.01 -2.09 0.06 0.00 0.35 0.00 0.00 41.96 40.27 2jwn s TYR 40 CO 0.01 -0.15 -0.01 0.08 -1.34 0.00 0.00 175.55 174.15 2jwn s VAL 41 N 0.89 2.70 0.44 3.14 1.01 0.26 -1.98 120.40 126.86 2jwn s VAL 41 Ca 0.02 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.42 2jwn s VAL 41 Cb -0.14 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2jwn s VAL 41 CO 0.02 -0.20 0.10 -0.83 0.00 0.00 0.00 175.10 174.19 2jwn s GLY 42 N 1.23 2.55 -0.33 4.51 0.00 0.26 0.85 107.32 116.40 2jwn s GLY 42 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2jwn s GLY 42 CO -0.03 -2.04 0.00 -2.01 0.00 0.00 0.00 173.10 169.01 2jwn n ASN 43 N -1.19 -5.25 -4.67 1.64 5.15 -0.92 -2.79 115.26 107.22 2jwn n ASN 43 Ca -0.06 0.08 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 2jwn n ASN 43 Cb 0.66 -3.36 0.01 0.00 -0.53 0.00 0.00 39.78 36.56 2jwn n ASN 43 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2jwn n VAL 44 N -1.85 2.52 -2.68 3.44 3.14 -0.80 -4.79 118.33 117.31 2jwn n VAL 44 Ca -0.03 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.51 2jwn n VAL 44 Cb 0.47 -1.44 -0.05 0.00 -1.06 0.00 0.00 33.84 31.76 2jwn n VAL 44 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jwn s ASP 45 N -0.59 6.65 0.63 6.55 2.15 -1.26 -2.68 116.67 128.12 2jwn s ASP 45 Ca 0.62 1.80 0.40 0.00 0.43 0.00 0.00 52.55 55.80 2jwn s ASP 45 Cb -0.53 -2.55 2.13 0.00 -0.30 0.00 0.00 42.92 41.67 2jwn s ASP 45 CO 0.58 -0.56 2.28 0.22 -0.17 0.00 0.00 175.17 177.51 2jwn h TYR 46 N 1.73 0.00 0.00 -5.34 5.03 -1.92 -0.13 116.97 116.34 2jwn h TYR 46 Ca -0.49 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.79 2jwn h TYR 46 Cb 1.20 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.48 2jwn h TYR 46 CO 0.60 0.01 -0.11 0.78 -1.32 0.00 0.00 178.16 178.11 2jwn h GLY 47 N 0.41 0.00 -7.25 1.82 0.00 -1.96 -3.33 103.07 92.77 2jwn h GLY 47 Ca -0.00 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 46.53 2jwn h GLY 47 CO 0.00 0.00 0.55 1.44 0.00 0.00 0.00 176.54 178.53 2jwn n SER 48 N -3.48 5.81 -3.40 0.19 7.64 -0.06 -4.95 113.62 115.37 2jwn n SER 48 Ca -0.01 -3.21 -0.24 0.00 1.01 0.00 0.00 58.87 56.41 2jwn n SER 48 Cb 0.26 -1.30 0.20 0.00 -1.01 0.00 0.00 64.21 62.36 2jwn n SER 48 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jwn n THR 49 N 2.04 0.00 -0.16 0.44 -2.24 -1.25 -4.44 114.28 108.67 2jwn n THR 49 Ca 0.25 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 2jwn n THR 49 Cb 0.36 -1.27 0.03 0.00 -2.10 0.00 0.00 70.33 67.36 2jwn n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jwn h ALA 50 N -2.46 0.22 -0.00 6.98 0.00 -1.97 0.11 119.26 122.14 2jwn h ALA 50 Ca -0.34 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jwn h ALA 50 Cb 1.01 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2jwn h ALA 50 CO 0.22 -0.51 -0.13 1.96 0.00 0.00 0.00 179.25 180.80 2jwn h GLN 51 N -0.07 -0.21 -0.43 0.00 4.20 -1.99 0.28 115.11 116.89 2jwn h GLN 51 Ca 0.24 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 2jwn h GLN 51 Cb 0.43 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jwn h GLN 51 CO -0.55 -0.14 -0.26 0.22 -0.67 0.00 0.00 178.83 177.43 2jwn h ASP 52 N -0.22 0.95 -0.18 1.46 3.58 -1.73 -2.59 116.42 117.69 2jwn h ASP 52 Ca 0.05 -0.37 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 2jwn h ASP 52 Cb 0.27 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2jwn h ASP 52 CO -0.13 1.15 -0.04 0.25 -2.88 0.00 0.00 179.24 177.60 2jwn h LEU 53 N 0.78 0.35 -0.92 2.28 6.46 -0.54 -2.74 115.31 120.98 2jwn h LEU 53 Ca 0.09 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 2jwn h LEU 53 Cb 0.83 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 2jwn h LEU 53 CO 0.07 0.62 0.60 -0.33 -0.62 0.00 0.00 178.44 178.78 2jwn h GLU 54 N 0.07 1.14 -0.71 1.25 5.08 -0.43 -2.77 114.58 118.21 2jwn h GLU 54 Ca 0.05 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2jwn h GLU 54 Cb 0.47 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2jwn h GLU 54 CO 0.02 0.75 0.35 0.00 -1.00 0.00 0.00 179.01 179.13 2jwn h ALA 55 N 1.37 0.98 -0.66 3.43 0.00 -1.16 0.90 119.26 124.12 2jwn h ALA 55 Ca 0.36 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2jwn h ALA 55 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jwn h ALA 55 CO -0.11 -0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.47 2jwn h HIS 56 N 0.59 1.13 0.00 0.00 -0.00 -1.35 -2.87 115.15 112.64 2jwn h HIS 56 Ca 0.35 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 2jwn h HIS 56 Cb 0.38 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2jwn h HIS 56 CO -0.11 0.94 -0.49 0.74 -0.00 0.00 0.00 177.93 179.01 2jwn h PHE 57 N 0.99 0.00 0.00 5.26 0.04 -0.96 -3.26 116.94 119.00 2jwn h PHE 57 Ca 0.20 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 2jwn h PHE 57 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2jwn h PHE 57 CO 0.03 0.28 -0.20 1.03 -0.60 0.00 0.00 178.31 178.84 2jwn h SER 58 N 0.00 0.00 0.55 2.17 0.87 0.98 0.53 113.55 118.65 2jwn h SER 58 Ca -0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2jwn h SER 58 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2jwn h SER 58 CO 0.03 0.20 -0.08 0.28 -0.53 0.00 0.00 176.83 176.73 2jwn h SER 59 N 0.00 0.00 -0.51 6.23 0.02 -1.57 -2.57 113.55 115.15 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 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jwn h SER 59 CO 0.03 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 2jwn n GLY 61 N 1.47 0.61 3.54 0.00 0.00 -0.97 -4.10 105.19 105.75 2jwn n GLY 61 Ca 0.20 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 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 5.23 0.00 1.61 1.04 -1.26 -4.30 113.70 112.01 2jwn s SER 62 Ca 0.00 -0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 2jwn s SER 62 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 2jwn s SER 62 CO 0.00 0.12 0.68 -0.63 0.98 0.00 0.00 173.24 174.39 2jwn s ILE 63 N 0.68 4.86 -0.25 -1.02 1.01 -1.26 -0.16 121.20 125.06 2jwn s ILE 63 Ca 0.01 1.43 -0.13 0.00 0.00 0.00 0.00 60.65 61.96 2jwn s ILE 63 Cb -0.14 -4.02 -0.15 0.00 0.01 0.00 0.00 42.46 38.16 2jwn s ILE 63 CO 0.02 0.37 -0.16 -3.20 0.00 0.00 0.00 174.94 171.97 2jwn n ASN 64 N 2.94 1.95 -3.70 3.58 2.85 0.86 -4.69 115.26 119.04 2jwn n ASN 64 Ca -0.04 0.28 -0.10 0.00 -0.11 0.00 0.00 54.58 54.61 2jwn n ASN 64 Cb 0.51 -0.80 -0.06 0.00 1.24 0.00 0.00 39.78 40.67 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 -2.48 0.98 -0.07 1.20 0.52 -0.37 -5.02 118.95 113.71 2jwn s ARG 65 Ca -0.35 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.03 2jwn s ARG 65 Cb 0.11 0.42 0.02 0.00 0.52 0.00 0.00 34.95 36.03 2jwn s ARG 65 CO 0.55 -0.36 0.22 0.96 0.02 0.00 0.00 175.30 176.69 2jwn s ILE 66 N -3.68 0.01 -0.10 1.52 -4.36 -1.26 0.13 121.20 113.46 2jwn s ILE 66 Ca 0.03 -0.12 0.01 0.00 -0.26 0.00 0.00 60.65 60.31 2jwn s ILE 66 Cb 0.02 -0.36 0.02 0.00 1.25 0.00 0.00 42.46 43.39 2jwn s ILE 66 CO -0.11 -0.06 -0.12 -0.89 0.24 0.00 0.00 174.94 173.99 2jwn s THR 67 N -0.16 1.27 -0.12 8.37 2.01 0.43 -4.96 115.64 122.47 2jwn s THR 67 Ca -0.03 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2jwn s THR 67 Cb -0.03 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2jwn s THR 67 CO 0.01 0.40 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.51 2jwn s ILE 68 N 1.07 1.81 -0.10 1.82 1.09 -1.26 0.70 121.20 126.33 2jwn s ILE 68 Ca -0.06 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 58.70 2jwn s ILE 68 Cb -0.15 -1.61 -0.00 0.00 -1.06 0.00 0.00 42.46 39.64 2jwn s ILE 68 CO -0.02 0.50 -0.23 -1.48 -0.10 0.00 0.00 174.94 173.61 2jwn s LEU 69 N 0.87 2.12 -0.14 2.97 2.34 0.13 -4.97 118.68 122.01 2jwn s LEU 69 Ca -0.07 -0.54 0.01 0.00 0.06 0.00 0.00 54.13 53.58 2jwn s LEU 69 Cb -0.15 -1.42 -0.00 0.00 -0.56 0.00 0.00 46.19 44.05 2jwn s LEU 69 CO -0.01 0.17 -0.17 0.00 -1.06 0.00 0.00 176.35 175.27 2jwn s ASP 71 N 0.59 4.66 0.00 0.00 -4.77 -0.53 -4.84 116.67 111.78 2jwn s ASP 71 Ca -0.10 -0.18 0.23 0.00 -3.30 0.00 0.00 52.55 49.20 2jwn s ASP 71 Cb -0.16 -1.76 0.61 0.00 -1.09 0.00 0.00 42.92 40.51 2jwn s ASP 71 CO 0.03 0.15 1.52 0.29 0.70 0.00 0.00 175.17 177.86 2jwn n LYS 72 N 3.67 2.67 0.23 2.11 5.02 -1.26 -1.30 118.16 129.30 2jwn n LYS 72 Ca -0.17 -2.59 0.16 0.00 -2.02 0.00 0.00 58.31 53.69 2jwn n LYS 72 Cb 0.52 -1.56 0.84 0.00 -0.02 0.00 0.00 35.03 34.81 2jwn n LYS 72 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2jwn h PHE 73 N 4.37 0.00 -0.24 2.13 0.04 -1.92 0.15 116.94 121.48 2jwn h PHE 73 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jwn h PHE 73 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2jwn h PHE 73 CO 0.44 0.00 0.00 0.43 -0.60 0.00 0.00 178.31 178.58 2jwn n SER 74 N -3.87 1.73 0.00 2.17 7.64 -1.26 -4.93 113.62 115.11 2jwn n SER 74 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2jwn n SER 74 Cb 0.26 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2jwn n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jwn n GLY 75 N 1.10 1.63 3.74 0.23 0.00 0.54 -4.85 105.19 107.58 2jwn n GLY 75 Ca 0.14 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 3.47 -0.07 1.61 3.76 -1.26 -4.90 115.29 117.90 2jwn s HIS 76 Ca 0.00 0.57 -0.30 0.00 -0.15 0.00 0.00 55.06 55.19 2jwn s HIS 76 Cb 0.00 -2.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 2jwn s HIS 76 CO 0.00 0.28 1.57 -1.25 -0.85 0.00 0.00 174.74 174.49 2jwn s PRO 77 N 0.33 4.20 0.12 8.40 0.04 -1.25 -4.55 135.00 142.28 2jwn s PRO 77 Ca 0.16 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2jwn s PRO 77 Cb -0.13 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2jwn s PRO 77 CO 0.03 -0.80 0.18 0.15 0.04 0.00 0.00 177.00 176.60 2jwn s LYS 78 N 3.83 3.15 -0.04 4.56 1.02 -0.42 -4.54 119.74 127.30 2jwn s LYS 78 Ca 0.69 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 56.08 2jwn s LYS 78 Cb -0.31 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2jwn s LYS 78 CO 0.26 0.54 -0.25 0.20 -0.92 0.00 0.00 175.35 175.18 2jwn s GLY 79 N -2.87 1.26 0.01 -3.33 0.00 -1.09 -1.46 107.32 99.83 2jwn s GLY 79 Ca 0.32 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 44.04 2jwn s GLY 79 CO 0.25 -0.74 -0.15 -0.19 0.00 0.00 0.00 173.10 172.27 2jwn s TYR 80 N -0.34 1.30 -0.00 1.90 1.51 0.20 -1.90 117.35 120.02 2jwn s TYR 80 Ca 0.02 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2jwn s TYR 80 Cb -0.12 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 2jwn s TYR 80 CO 0.02 0.01 0.01 0.00 -1.11 0.00 0.00 175.55 174.47 2jwn s ALA 81 N -0.54 -0.02 -0.26 3.71 0.00 0.25 0.23 121.76 125.13 2jwn s ALA 81 Ca 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 2jwn s ALA 81 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2jwn s ALA 81 CO 0.00 -0.04 0.02 0.71 0.00 0.00 0.00 175.76 176.46 2jwn s TYR 82 N -0.27 3.07 -0.26 0.00 2.02 0.22 0.90 117.35 123.04 2jwn s TYR 82 Ca -0.03 -0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 55.61 2jwn s TYR 82 Cb -0.02 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2jwn s TYR 82 CO -0.00 -0.56 0.13 0.42 -1.57 0.00 0.00 175.55 173.97 2jwn s ILE 83 N 1.49 4.84 -0.24 2.71 -1.09 -0.05 -0.43 121.20 128.42 2jwn s ILE 83 Ca 0.04 0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2jwn s ILE 83 Cb -0.16 -3.27 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2jwn s ILE 83 CO -0.00 0.31 0.04 -1.61 -1.23 0.00 0.00 174.94 172.45 2jwn s GLU 84 N 1.53 3.52 0.47 2.79 2.02 0.12 0.03 118.70 129.17 2jwn s GLU 84 Ca 0.06 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2jwn s GLU 84 Cb -0.15 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2jwn s GLU 84 CO 0.07 -0.21 0.69 -0.06 0.02 0.00 0.00 175.26 175.76 2jwn s PHE 85 N 1.56 3.15 0.13 1.61 0.08 -0.65 -0.10 117.98 123.77 2jwn s PHE 85 Ca 0.06 0.18 -0.08 0.00 0.12 0.00 0.00 56.93 57.21 2jwn s PHE 85 Cb -0.15 -2.39 -0.08 0.00 -0.57 0.00 0.00 43.02 39.84 2jwn s PHE 85 CO 0.01 -0.45 1.35 0.00 -0.10 0.00 0.00 175.22 176.03 2jwn h ALA 86 N 0.35 0.41 -2.44 5.36 0.00 -0.83 -3.40 119.26 118.71 2jwn h ALA 86 Ca -0.45 -0.62 -0.61 0.00 0.00 0.00 0.00 54.91 53.23 2jwn h ALA 86 Cb 1.26 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 2jwn h ALA 86 CO 0.56 0.72 -0.75 -1.21 0.00 0.00 0.00 179.25 178.57 2jwn s GLU 87 N -3.64 1.76 0.37 0.00 2.02 -1.26 -5.02 118.70 112.93 2jwn s GLU 87 Ca -0.08 -1.64 0.18 0.00 0.02 0.00 0.00 54.97 53.45 2jwn s GLU 87 Cb 0.09 -1.86 0.67 0.00 0.10 0.00 0.00 34.13 33.13 2jwn s GLU 87 CO 0.88 0.35 1.73 0.00 0.02 0.00 0.00 175.26 178.25 2jwn h ARG 88 N 2.42 0.00 -0.80 1.61 2.47 -1.90 -2.94 114.38 115.24 2jwn h ARG 88 Ca -0.42 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.30 2jwn h ARG 88 Cb 1.25 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 2jwn h ARG 88 CO 0.57 0.39 0.52 -0.91 0.56 0.00 0.00 179.97 181.10 2jwn h ASN 89 N 0.00 0.93 -0.37 7.04 2.35 -1.95 -2.86 115.58 120.72 2jwn h ASN 89 Ca -0.00 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 2jwn h ASN 89 Cb 0.89 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 2jwn h ASN 89 CO 0.05 0.68 -0.38 0.28 -1.65 0.00 0.00 177.43 176.41 2jwn h SER 90 N 1.09 0.98 -0.63 5.81 0.02 -1.67 -2.06 113.55 117.09 2jwn h SER 90 Ca 0.29 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 2jwn h SER 90 Cb -0.11 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.13 2jwn h SER 90 CO -0.06 1.25 0.12 1.62 -1.14 0.00 0.00 176.83 178.61 2jwn h VAL 91 N 0.75 1.26 -0.18 2.27 3.04 -1.52 -0.43 116.25 121.43 2jwn h VAL 91 Ca 0.06 -1.00 -0.13 0.00 -1.01 0.00 0.00 66.70 64.63 2jwn h VAL 91 Cb 0.97 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2jwn h VAL 91 CO 0.09 0.37 -0.43 -0.78 -1.01 0.00 0.00 177.57 175.82 2jwn h ASP 92 N 0.99 0.47 0.54 3.17 1.82 -1.34 -0.26 116.42 121.81 2jwn h ASP 92 Ca 0.20 -0.21 -0.16 0.00 -0.39 0.00 0.00 57.03 56.47 2jwn h ASP 92 Cb 0.41 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2jwn h ASP 92 CO 0.01 0.85 -0.71 0.00 -1.61 0.00 0.00 179.24 177.78 2jwn h ALA 93 N 1.17 0.76 0.01 -0.78 0.00 -1.03 -3.12 119.26 116.28 2jwn h ALA 93 Ca 0.03 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 2jwn h ALA 93 Cb 0.91 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jwn h ALA 93 CO 0.08 0.83 -0.54 0.00 0.00 0.00 0.00 179.25 179.61 2jwn h ALA 94 N 1.17 0.05 -0.01 0.00 0.00 -0.59 -3.19 119.26 116.69 2jwn h ALA 94 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jwn h ALA 94 Cb 1.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jwn h ALA 94 CO 0.10 0.29 0.03 -0.39 0.00 0.00 0.00 179.25 179.29 2jwn h VAL 95 N -0.23 0.17 0.00 0.00 -1.51 -1.11 -0.39 116.25 113.18 2jwn h VAL 95 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2jwn h VAL 95 Cb 1.28 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2jwn h VAL 95 CO 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 2jwn h ALA 96 N 1.95 1.00 -0.56 5.19 0.00 -1.52 -0.60 119.26 124.71 2jwn h ALA 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jwn h ALA 96 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jwn h ALA 96 CO -0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2jwn n MET 97 N -2.68 2.29 -0.31 0.00 2.81 -0.15 -4.71 117.12 114.37 2jwn n MET 97 Ca -0.00 -2.01 0.11 0.00 -1.81 0.00 0.00 57.70 53.98 2jwn n MET 97 Cb 0.18 -1.43 0.22 0.00 -0.71 0.00 0.00 33.22 31.47 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jwn n ASP 98 N 1.14 -0.16 -1.05 7.83 5.75 -0.24 -0.53 116.55 129.30 2jwn n ASP 98 Ca 0.19 1.49 -0.03 0.00 -0.01 0.00 0.00 54.79 56.43 2jwn n ASP 98 Cb 0.47 -0.52 0.19 0.00 -1.03 0.00 0.00 41.12 40.24 2jwn n ASP 98 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2jwn n GLU 99 N -5.31 1.85 -1.18 0.11 2.13 -1.26 -1.84 120.64 115.14 2jwn n GLU 99 Ca 0.19 -3.29 -0.30 0.00 0.66 0.00 0.00 57.16 54.42 2jwn n GLU 99 Cb 0.61 -1.78 0.14 0.00 0.27 0.00 0.00 31.44 30.67 2jwn n GLU 99 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2jwn s THR 100 N -3.35 2.64 -0.14 6.31 -1.32 0.31 -4.82 115.64 115.28 2jwn s THR 100 Ca 0.43 0.21 -0.03 0.00 -1.21 0.00 0.00 61.69 61.09 2jwn s THR 100 Cb 0.40 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.69 2jwn s THR 100 CO -0.03 -0.27 -0.04 0.54 -2.21 0.00 0.00 174.62 172.61 2jwn s VAL 101 N -2.92 3.89 -0.04 5.08 0.11 -1.26 -2.08 120.40 123.18 2jwn s VAL 101 Ca 0.64 -0.37 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2jwn s VAL 101 Cb -0.18 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.01 2jwn s VAL 101 CO 0.57 0.52 0.02 0.12 -3.33 0.00 0.00 175.10 172.99 2jwn s PHE 102 N 0.10 0.30 -1.42 1.54 5.36 0.16 -4.82 117.98 119.20 2jwn s PHE 102 Ca -0.01 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.97 2jwn s PHE 102 Cb -0.14 -0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.09 2jwn s PHE 102 CO 0.03 -0.17 0.26 -2.13 -1.46 0.00 0.00 175.22 171.75 2jwn n ARG 103 N 4.54 -3.05 0.00 10.12 0.63 -1.26 -1.23 116.66 126.41 2jwn n ARG 103 Ca -0.19 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2jwn n ARG 103 Cb 0.50 -5.47 0.00 0.00 0.45 0.00 0.00 32.46 27.94 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 -1.12 1.71 3.58 5.14 0.00 -1.26 -5.02 105.19 108.21 2jwn n GLY 104 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.46 2.11 -0.19 1.61 1.70 -0.36 -5.09 118.95 118.27 2jwn s ARG 105 Ca 0.00 -1.06 -0.23 0.00 -0.47 0.00 0.00 55.73 53.96 2jwn s ARG 105 Cb 0.00 -2.28 -0.02 0.00 -0.57 0.00 0.00 34.95 32.08 2jwn s ARG 105 CO 0.00 0.50 0.74 0.99 -1.08 0.00 0.00 175.30 176.45 2jwn s THR 106 N -1.29 4.94 0.45 4.99 2.01 -1.26 0.39 115.64 125.87 2jwn s THR 106 Ca 0.22 1.43 0.08 0.00 0.31 0.00 0.00 61.69 63.72 2jwn s THR 106 Cb -0.11 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2jwn s THR 106 CO 0.14 0.05 0.56 0.27 -0.69 0.00 0.00 174.62 174.96 2jwn s ILE 107 N 2.11 2.76 -0.07 1.82 -4.36 -0.88 -4.91 121.20 117.67 2jwn s ILE 107 Ca 0.34 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 2jwn s ILE 107 Cb -0.16 -2.84 0.02 0.00 1.25 0.00 0.00 42.46 40.73 2jwn s ILE 107 CO 0.11 0.00 -0.06 -0.75 0.24 0.00 0.00 174.94 174.48 2jwn s LYS 108 N -4.36 1.12 -0.10 0.37 2.47 -1.12 -4.14 119.74 113.97 2jwn s LYS 108 Ca 0.54 -0.15 0.01 0.00 -1.56 0.00 0.00 55.97 54.81 2jwn s LYS 108 Cb -0.08 -1.17 0.02 0.00 -1.46 0.00 0.00 37.83 35.14 2jwn s LYS 108 CO 0.33 -0.17 -0.11 0.14 0.16 0.00 0.00 175.35 175.70 2jwn s VAL 109 N 1.34 1.22 0.14 4.02 -7.23 -0.76 -0.57 120.40 118.56 2jwn s VAL 109 Ca -0.03 -0.46 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 2jwn s VAL 109 Cb -0.14 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 2jwn s VAL 109 CO -0.03 0.39 0.26 -1.48 -0.31 0.00 0.00 175.10 173.93 2jwn s LEU 110 N 1.24 1.07 0.57 1.32 -0.00 -0.84 -3.99 118.68 118.05 2jwn s LEU 110 Ca -0.03 -0.80 -0.20 0.00 -0.00 0.00 0.00 54.13 53.11 2jwn s LEU 110 Cb -0.14 1.17 -0.04 0.00 -0.00 0.00 0.00 46.19 47.17 2jwn s LEU 110 CO -0.04 -0.85 1.21 -2.84 -0.00 0.00 0.00 176.35 173.83 2jwn s PRO 111 N -3.93 3.13 -1.11 1.48 0.02 -1.26 0.88 135.00 134.20 2jwn s PRO 111 Ca 0.13 1.84 -0.22 0.00 0.02 0.00 0.00 61.00 62.77 2jwn s PRO 111 Cb 0.04 -2.03 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 2jwn s PRO 111 CO -0.03 -1.08 1.83 0.21 -0.33 0.00 0.00 177.00 177.60 2jwn s LYS 112 N -3.20 2.94 -0.47 5.54 2.20 -0.31 -4.38 119.74 122.06 2jwn s LYS 112 Ca 0.75 -1.08 -0.33 0.00 -0.36 0.00 0.00 55.97 54.95 2jwn s LYS 112 Cb -0.30 -5.27 0.05 0.00 -1.51 0.00 0.00 37.83 30.80 2jwn s LYS 112 CO 0.34 -3.25 0.65 0.54 -0.36 0.00 0.00 175.35 173.28 2jwn n ARG 113 N 8.55 -1.97 -3.83 4.03 5.12 -1.26 -4.77 116.66 122.52 2jwn n ARG 113 Ca 0.43 1.49 -0.32 0.00 -1.93 0.00 0.00 57.85 57.52 2jwn n ARG 113 Cb 0.47 -2.64 -0.11 0.00 -1.16 0.00 0.00 32.46 29.02 2jwn n ARG 113 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2jwn s THR 114 N -1.75 3.25 0.29 0.55 2.01 -1.26 -5.03 115.64 113.71 2jwn s THR 114 Ca 0.34 -3.70 0.03 0.00 0.31 0.00 0.00 61.69 58.67 2jwn s THR 114 Cb -0.04 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 2jwn s THR 114 CO 0.86 -0.94 0.26 0.21 -0.69 0.00 0.00 174.62 174.32 2jwn s ASN 115 N -0.49 1.13 -0.37 3.53 2.47 -1.26 -5.06 114.94 114.88 2jwn s ASN 115 Ca 0.22 -1.61 -0.02 0.00 0.42 0.00 0.00 52.86 51.87 2jwn s ASN 115 Cb -0.14 0.52 0.09 0.00 -1.45 0.00 0.00 41.25 40.27 2jwn s ASN 115 CO -0.09 -1.03 0.13 0.00 -3.72 0.00 0.00 177.10 172.39 2jwn s MET 116 N -3.62 2.11 -0.06 0.43 0.23 -1.26 -4.92 119.30 112.21 2jwn s MET 116 Ca 0.39 -1.64 0.07 0.00 -1.03 0.00 0.00 55.69 53.48 2jwn s MET 116 Cb 0.03 -3.43 0.31 0.00 -1.53 0.00 0.00 34.83 30.21 2jwn s MET 116 CO 0.22 -0.91 1.08 -0.35 -2.03 0.00 0.00 175.02 173.02 2jwn n PRO 117 N 4.58 2.26 0.00 3.16 -0.04 -1.26 -4.94 135.00 138.77 2jwn n PRO 117 Ca -0.05 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 2jwn n PRO 117 Cb 0.42 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2jwn n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jwn n GLY 118 N 0.50 -0.01 3.74 0.55 0.00 -1.26 -5.08 105.19 103.63 2jwn n GLY 118 Ca 0.11 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2jwn n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jwn s ILE 119 N -4.00 4.55 -0.17 -0.61 -5.25 -1.26 -5.03 121.20 109.43 2jwn s ILE 119 Ca 0.00 1.82 -0.04 0.00 -0.99 0.00 0.00 60.65 61.44 2jwn s ILE 119 Cb 0.00 -4.20 0.08 0.00 2.95 0.00 0.00 42.46 41.29 2jwn s ILE 119 CO 0.00 0.38 0.24 -0.44 -1.79 0.00 0.00 174.94 173.33 2jwn s SER 120 N -0.28 0.93 -0.13 4.36 0.01 -1.26 -5.13 113.70 112.20 2jwn s SER 120 Ca 0.41 0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.69 2jwn s SER 120 Cb -0.22 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.55 2jwn s SER 120 CO 0.26 -0.29 0.33 -0.44 0.41 0.00 0.00 173.24 173.51 2jwn s SER 121 N 2.36 -0.36 0.13 2.44 0.01 -1.26 -5.05 113.70 111.97 2jwn s SER 121 Ca 0.05 0.68 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 2jwn s SER 121 Cb -0.14 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 2jwn s SER 121 CO -0.10 -0.14 1.55 0.74 0.41 0.00 0.00 173.24 175.70 2jwn h THR 122 N 5.10 1.27 -3.62 1.44 2.02 -2.07 -3.41 112.91 113.64 2jwn h THR 122 Ca -0.32 -1.11 -0.62 0.00 0.77 0.00 0.00 66.41 65.14 2jwn h THR 122 Cb 1.18 1.15 -0.32 0.00 -1.74 0.00 0.00 68.15 68.42 2jwn h THR 122 CO 0.32 0.37 -0.86 -0.62 0.37 0.00 0.00 175.52 175.10 2jwn s ASP 123 N -6.31 2.59 0.00 4.18 2.15 -1.26 -5.36 116.67 112.66 2jwn s ASP 123 Ca -0.13 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.41 2jwn s ASP 123 Cb 0.10 -0.99 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 2jwn s ASP 123 CO 0.81 0.15 0.12 -2.11 -0.17 0.00 0.00 175.17 173.97