#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 4.79 -0.05 0.00 1.09 -1.26 -5.03 121.20 120.75 2jwn s ILE 2 Ca 0.00 1.28 0.05 0.00 -1.10 0.00 0.00 60.65 60.88 2jwn s ILE 2 Cb 0.00 -4.15 -0.01 0.00 -1.06 0.00 0.00 42.46 37.24 2jwn s ILE 2 CO 0.00 -0.23 -0.20 0.00 -0.10 0.00 0.00 174.94 174.41 2jwn s ALA 3 N 2.97 1.74 -0.49 9.38 0.00 -1.26 -5.07 121.76 129.02 2jwn s ALA 3 Ca 0.33 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 2jwn s ALA 3 Cb -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2jwn s ALA 3 CO 0.12 0.33 1.91 -1.25 0.00 0.00 0.00 175.76 176.87 2jwn s PRO 4 N -0.07 2.81 -0.08 0.00 0.04 -1.26 -4.90 135.00 131.54 2jwn s PRO 4 Ca -0.03 1.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.80 2jwn s PRO 4 Cb -0.12 -4.35 0.05 0.00 0.04 0.00 0.00 34.50 30.13 2jwn s PRO 4 CO 0.02 -2.49 0.54 0.00 0.04 0.00 0.00 177.00 175.11 2jwn s MET 6 N -0.85 0.16 -0.27 0.00 1.75 -1.26 -5.08 119.30 113.75 2jwn s MET 6 Ca -0.09 -0.35 -0.04 0.00 -1.25 0.00 0.00 55.69 53.96 2jwn s MET 6 Cb -0.03 -1.49 0.09 0.00 2.84 0.00 0.00 34.83 36.25 2jwn s MET 6 CO 0.06 -0.86 0.12 1.14 -0.65 0.00 0.00 175.02 174.82 2jwn s GLN 7 N 2.10 0.25 -0.41 4.11 -2.07 -1.26 -5.04 119.66 117.34 2jwn s GLN 7 Ca 0.06 -0.52 0.04 0.00 -1.82 0.00 0.00 55.36 53.11 2jwn s GLN 7 Cb -0.16 -1.39 0.17 0.00 -1.09 0.00 0.00 33.01 30.53 2jwn s GLN 7 CO -0.24 -0.95 0.40 0.99 -1.32 0.00 0.00 175.29 174.17 2jwn s THR 8 N 2.04 -0.07 -0.42 3.63 2.01 -1.26 -5.05 115.64 116.53 2jwn s THR 8 Ca 0.08 -1.87 0.04 0.00 0.31 0.00 0.00 61.69 60.25 2jwn s THR 8 Cb -0.16 -0.89 0.17 0.00 0.01 0.00 0.00 72.50 71.63 2jwn s THR 8 CO -0.30 -0.85 0.38 0.42 -0.69 0.00 0.00 174.62 173.58 2jwn s THR 9 N 0.64 0.07 -0.38 -0.82 -4.23 -1.26 -5.03 115.64 104.64 2jwn s THR 9 Ca 0.27 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2jwn s THR 9 Cb -0.05 -1.01 0.15 0.00 1.34 0.00 0.00 72.50 72.92 2jwn s THR 9 CO -0.11 -0.99 0.24 -1.00 -0.54 0.00 0.00 174.62 172.22 2jwn s HIS 10 N 0.38 0.96 0.00 3.99 3.76 -1.26 -4.93 115.29 118.19 2jwn s HIS 10 Ca 0.30 -1.86 0.00 0.00 -0.15 0.00 0.00 55.06 53.35 2jwn s HIS 10 Cb -0.01 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2jwn s HIS 10 CO -0.14 -0.82 0.14 -1.13 -0.85 0.00 0.00 174.74 171.94 2jwn n SER 11 N 3.74 0.03 -4.20 1.40 3.41 -1.26 -4.98 113.62 111.76 2jwn n SER 11 Ca 0.15 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.34 2jwn n SER 11 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 2jwn n SER 11 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jwn s LYS 12 N -0.01 2.76 0.10 4.33 3.01 -1.26 -4.74 119.74 123.93 2jwn s LYS 12 Ca 0.00 -2.18 0.00 0.00 -1.01 0.00 0.00 55.97 52.78 2jwn s LYS 12 Cb 0.00 -3.98 0.00 0.00 -1.01 0.00 0.00 37.83 32.84 2jwn s LYS 12 CO 0.00 -1.21 0.00 -0.12 0.51 0.00 0.00 175.35 174.53 2jwn n MET 13 N 4.23 0.00 -2.33 1.68 1.56 -1.26 -4.98 117.12 116.03 2jwn n MET 13 Ca 0.02 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.04 2jwn n MET 13 Cb 0.41 -0.33 -0.03 0.00 2.15 0.00 0.00 33.22 35.43 2jwn n MET 13 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2jwn s THR 14 N -2.00 3.64 0.00 1.12 2.01 -1.26 -4.92 115.64 114.23 2jwn s THR 14 Ca 0.00 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.25 2jwn s THR 14 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2jwn s THR 14 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 174.62 174.07 2jwn n ALA 15 N 3.40 1.70 -3.00 7.40 0.00 -1.26 -5.16 120.51 123.59 2jwn n ALA 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jwn n ALA 15 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 2.04 0.82 0.14 0.00 0.00 -1.26 -5.06 105.19 101.88 2jwn n GLY 16 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.00 0.04 -3.80 4.61 0.00 -1.26 -5.13 120.51 111.96 2jwn n ALA 17 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 2jwn n ALA 17 Cb 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 19.45 19.31 2jwn n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jwn s TYR 18 N 0.23 1.87 -0.03 0.00 5.04 -1.26 -5.13 117.35 118.07 2jwn s TYR 18 Ca 0.02 -0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 53.68 2jwn s TYR 18 Cb -0.00 -1.40 0.01 0.00 0.35 0.00 0.00 41.96 40.92 2jwn s TYR 18 CO 0.01 -0.53 0.09 0.99 -1.34 0.00 0.00 175.55 174.77 2jwn s THR 19 N 1.27 0.01 0.09 4.34 2.01 -1.26 -5.15 115.64 116.95 2jwn s THR 19 Ca -0.01 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2jwn s THR 19 Cb -0.14 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.22 2jwn s THR 19 CO -0.05 -0.06 0.16 -0.62 -0.69 0.00 0.00 174.62 173.36 2jwn n GLU 20 N 2.83 0.23 0.00 4.92 4.71 -1.26 -5.15 120.64 126.91 2jwn n GLU 20 Ca -0.14 -0.55 0.00 0.00 -0.01 0.00 0.00 57.16 56.46 2jwn n GLU 20 Cb 0.59 0.63 0.00 0.00 -1.01 0.00 0.00 31.44 31.65 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 -0.13 1.32 0.36 0.62 0.00 -1.26 -4.95 105.19 101.15 2jwn n GLY 21 Ca -0.01 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.83 -6.74 1.61 0.13 -2.02 -3.43 132.00 122.38 2jwn h PRO 22 Ca 0.00 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.58 2jwn h PRO 22 Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.94 2jwn h PRO 22 CO 0.00 0.55 0.43 -1.25 -0.23 0.00 0.00 178.00 177.51 2jwn s PRO 23 N -5.85 4.69 0.19 1.56 0.04 -1.26 -4.89 135.00 129.47 2jwn s PRO 23 Ca -0.11 1.68 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2jwn s PRO 23 Cb 0.23 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 2jwn s PRO 23 CO 0.80 0.26 0.03 -0.65 0.04 0.00 0.00 177.00 177.48 2jwn s GLN 24 N -1.01 1.15 -0.33 4.56 -1.52 -1.20 -4.62 119.66 116.69 2jwn s GLN 24 Ca 0.45 -1.57 -0.36 0.00 -1.95 0.00 0.00 55.36 51.92 2jwn s GLN 24 Cb -0.29 -0.21 -0.12 0.00 -0.22 0.00 0.00 33.01 32.17 2jwn s GLN 24 CO 0.36 -0.18 2.10 -2.30 -0.25 0.00 0.00 175.29 175.02 2jwn n PRO 25 N -0.27 1.11 0.00 2.91 -0.02 -1.24 -2.21 135.00 135.28 2jwn n PRO 25 Ca -0.05 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jwn n PRO 25 Cb 0.64 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2jwn n PRO 25 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2jwn n LEU 26 N 8.82 0.00 -4.75 2.45 -0.00 -1.26 -4.96 117.00 117.31 2jwn n LEU 26 Ca 0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 56.01 2jwn n LEU 26 Cb 0.20 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.66 2jwn n LEU 26 CO 0.77 -0.55 1.01 -0.44 -0.00 0.00 0.00 177.39 178.18 2jwn s SER 27 N -1.91 5.37 0.15 1.45 0.01 -1.26 -4.80 113.70 112.70 2jwn s SER 27 Ca 0.00 2.81 -0.18 0.00 1.31 0.00 0.00 55.95 59.89 2jwn s SER 27 Cb 0.00 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.64 2jwn s SER 27 CO 0.00 -1.51 1.71 0.00 0.41 0.00 0.00 173.24 173.85 2jwn h ALA 28 N 1.62 0.28 0.00 1.44 0.00 -2.00 -0.65 119.26 119.95 2jwn h ALA 28 Ca -0.51 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 2jwn h ALA 28 Cb 1.29 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2jwn h ALA 28 CO 0.58 -0.41 -0.66 0.93 0.00 0.00 0.00 179.25 179.69 2jwn h GLU 29 N 0.09 0.00 -0.73 0.00 4.39 -1.99 -2.12 114.58 114.22 2jwn h GLU 29 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2jwn h GLU 29 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2jwn h GLU 29 CO -0.26 0.66 0.43 0.93 -1.16 0.00 0.00 179.01 179.61 2jwn h GLU 30 N 0.00 0.99 0.08 2.33 3.07 -1.77 -0.88 114.58 118.40 2jwn h GLU 30 Ca -0.01 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2jwn h GLU 30 Cb 1.18 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2jwn h GLU 30 CO 0.09 0.70 -0.04 0.87 -1.40 0.00 0.00 179.01 179.23 2jwn h LYS 31 N 1.00 -0.10 -0.54 2.33 1.57 -0.51 -0.52 116.57 119.80 2jwn h LYS 31 Ca 0.26 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 2jwn h LYS 31 Cb -0.03 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 2jwn h LYS 31 CO -0.05 0.03 0.12 0.87 -0.57 0.00 0.00 179.45 179.85 2jwn h LYS 32 N -0.21 0.26 -0.13 3.15 1.79 -1.14 0.32 116.57 120.61 2jwn h LYS 32 Ca -0.01 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 2jwn h LYS 32 Cb 0.18 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2jwn h LYS 32 CO 0.02 0.17 -0.22 1.49 -1.08 0.00 0.00 179.45 179.83 2jwn h GLU 33 N 0.26 0.37 -0.23 3.15 4.57 -0.94 -2.88 114.58 118.88 2jwn h GLU 33 Ca 0.28 -0.23 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2jwn h GLU 33 Cb 0.38 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jwn h GLU 33 CO -0.35 0.82 -0.56 -0.84 -1.18 0.00 0.00 179.01 176.90 2jwn h ILE 34 N -0.04 1.30 -0.15 2.32 3.07 -0.84 -3.20 117.51 119.97 2jwn h ILE 34 Ca 0.01 -1.78 -0.06 0.00 1.55 0.00 0.00 64.86 64.58 2jwn h ILE 34 Cb 0.79 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 39.05 2jwn h ILE 34 CO 0.05 0.57 -0.18 -0.78 -1.05 0.00 0.00 178.15 176.75 2jwn h ASP 35 N 0.54 0.24 -0.20 2.16 3.58 -0.96 -1.94 116.42 119.83 2jwn h ASP 35 Ca 0.01 -0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.46 2jwn h ASP 35 Cb 1.13 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 2jwn h ASP 35 CO 0.11 0.44 0.21 0.11 -2.88 0.00 0.00 179.24 177.23 2jwn h LYS 36 N 0.23 0.00 -0.13 0.28 1.57 -1.50 -1.62 116.57 115.40 2jwn h LYS 36 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jwn h LYS 36 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2jwn h LYS 36 CO 0.03 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.45 2jwn n ARG 37 N -3.89 2.42 -3.65 3.15 1.74 -0.74 -4.86 116.66 110.82 2jwn n ARG 37 Ca 0.02 -2.30 -0.35 0.00 -0.77 0.00 0.00 57.85 54.45 2jwn n ARG 37 Cb 0.34 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.84 6.59 0.07 0.55 0.15 -0.61 -1.27 113.70 117.34 2jwn s SER 38 Ca 0.26 0.71 0.07 0.00 0.70 0.00 0.00 55.95 57.68 2jwn s SER 38 Cb 0.20 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 2jwn s SER 38 CO 0.06 0.24 -0.18 -0.69 1.20 0.00 0.00 173.24 173.87 2jwn s VAL 39 N -1.30 1.44 -0.22 4.45 1.01 0.42 -1.14 120.40 125.06 2jwn s VAL 39 Ca 0.29 -1.33 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 2jwn s VAL 39 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2jwn s VAL 39 CO 0.16 -0.05 0.32 -0.47 0.00 0.00 0.00 175.10 175.06 2jwn s TYR 40 N -1.08 3.35 -0.25 5.22 5.04 0.61 -2.25 117.35 127.99 2jwn s TYR 40 Ca 0.03 0.47 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 2jwn s TYR 40 Cb -0.09 -2.44 0.05 0.00 0.35 0.00 0.00 41.96 39.82 2jwn s TYR 40 CO 0.03 0.00 -0.10 0.08 -1.34 0.00 0.00 175.55 174.22 2jwn s VAL 41 N 1.27 2.38 0.32 3.14 1.01 0.20 -1.50 120.40 127.23 2jwn s VAL 41 Ca 0.15 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 60.80 2jwn s VAL 41 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2jwn s VAL 41 CO 0.07 0.07 0.20 -0.83 0.00 0.00 0.00 175.10 174.61 2jwn s GLY 42 N 1.18 1.78 -1.43 4.51 0.00 0.14 0.50 107.32 114.00 2jwn s GLY 42 Ca -0.05 -1.69 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 2jwn s GLY 42 CO -0.05 -1.64 0.24 -2.01 0.00 0.00 0.00 173.10 169.64 2jwn n ASN 43 N -1.23 -5.04 -4.68 1.64 5.15 -0.35 -2.63 115.26 108.12 2jwn n ASN 43 Ca -0.03 -0.09 -0.45 0.00 -0.60 0.00 0.00 54.58 53.41 2jwn n ASN 43 Cb 0.60 -4.17 -0.03 0.00 -0.53 0.00 0.00 39.78 35.65 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 -3.95 0.50 -2.23 3.44 3.14 -1.04 -4.73 118.33 113.45 2jwn n VAL 44 Ca -0.14 -0.12 -0.40 0.00 -2.96 0.00 0.00 64.34 60.71 2jwn n VAL 44 Cb 0.62 -1.59 -0.02 0.00 -1.06 0.00 0.00 33.84 31.79 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 0.63 6.81 -0.85 6.55 -1.08 -1.26 -4.29 116.67 123.19 2jwn s ASP 45 Ca 0.73 2.52 -0.25 0.00 -0.52 0.00 0.00 52.55 55.03 2jwn s ASP 45 Cb -0.63 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.19 2jwn s ASP 45 CO 0.43 -0.49 1.65 -0.47 0.52 0.00 0.00 175.17 176.81 2jwn s TYR 46 N -1.21 2.10 0.00 -5.34 6.14 -1.26 -0.59 117.35 117.19 2jwn s TYR 46 Ca 0.50 0.07 0.00 0.00 0.64 0.00 0.00 57.07 58.28 2jwn s TYR 46 Cb -0.36 -4.37 0.00 0.00 0.42 0.00 0.00 41.96 37.65 2jwn s TYR 46 CO 0.47 -1.98 0.00 0.41 0.64 0.00 0.00 175.55 175.09 2jwn n GLY 47 N 6.36 0.55 3.36 8.97 0.00 -1.26 -5.03 105.19 118.13 2jwn n GLY 47 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 2jwn n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jwn n SER 48 N 0.00 5.31 -3.28 1.61 7.64 0.24 -4.96 113.62 120.18 2jwn n SER 48 Ca 0.00 -3.02 -0.25 0.00 1.01 0.00 0.00 58.87 56.61 2jwn n SER 48 Cb 0.00 -1.52 0.22 0.00 -1.01 0.00 0.00 64.21 61.91 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 3.98 0.00 -0.17 0.44 -2.24 -1.26 -4.58 114.28 110.46 2jwn n THR 49 Ca 0.34 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2jwn n THR 49 Cb 0.41 -1.02 0.07 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.95 0.50 -0.86 6.98 0.00 -1.98 -0.47 119.26 120.48 2jwn h ALA 50 Ca -0.33 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jwn h ALA 50 Cb 1.05 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2jwn h ALA 50 CO 0.21 -0.39 0.54 1.96 0.00 0.00 0.00 179.25 181.58 2jwn h GLN 51 N 0.12 1.16 -0.75 0.00 4.20 -1.98 0.52 115.11 118.38 2jwn h GLN 51 Ca 0.27 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 2jwn h GLN 51 Cb 0.41 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2jwn h GLN 51 CO -0.44 0.79 0.23 0.22 -0.67 0.00 0.00 178.83 178.96 2jwn h ASP 52 N 1.18 1.09 -0.17 1.46 3.58 -1.46 -1.33 116.42 120.77 2jwn h ASP 52 Ca 0.31 -0.21 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 2jwn h ASP 52 Cb -0.09 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.68 2jwn h ASP 52 CO -0.06 1.01 -0.42 -0.07 -2.88 0.00 0.00 179.24 176.82 2jwn h LEU 53 N 1.11 0.66 -0.21 2.28 3.38 -0.47 -3.01 115.31 119.04 2jwn h LEU 53 Ca 0.24 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2jwn h LEU 53 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2jwn h LEU 53 CO -0.01 1.11 0.04 -0.33 0.09 0.00 0.00 178.44 179.35 2jwn h GLU 54 N 0.23 0.13 -0.26 1.13 5.08 0.39 0.09 114.58 121.37 2jwn h GLU 54 Ca -0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2jwn h GLU 54 Cb 1.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2jwn h GLU 54 CO 0.09 0.08 0.09 0.00 -1.00 0.00 0.00 179.01 178.27 2jwn h ALA 55 N 1.15 0.29 -0.54 3.43 0.00 -1.31 0.74 119.26 123.03 2jwn h ALA 55 Ca 0.10 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2jwn h ALA 55 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jwn h ALA 55 CO -0.13 -0.32 -0.05 1.25 0.00 0.00 0.00 179.25 180.01 2jwn h HIS 56 N 0.21 1.05 0.00 0.00 -0.00 -1.36 -2.58 115.15 112.47 2jwn h HIS 56 Ca 0.11 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.24 2jwn h HIS 56 Cb 0.08 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2jwn h HIS 56 CO -0.13 0.96 -0.37 0.74 -0.00 0.00 0.00 177.93 179.14 2jwn h PHE 57 N 0.87 0.00 0.00 5.26 0.04 -0.58 -3.26 116.94 119.27 2jwn h PHE 57 Ca 0.15 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 2jwn h PHE 57 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2jwn h PHE 57 CO 0.04 0.24 -0.24 1.03 -0.60 0.00 0.00 178.31 178.78 2jwn h SER 58 N 0.00 0.00 0.12 2.17 0.87 0.89 0.10 113.55 117.70 2jwn h SER 58 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2jwn h SER 58 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2jwn h SER 58 CO 0.03 0.24 -0.09 0.28 -0.53 0.00 0.00 176.83 176.76 2jwn h SER 59 N 0.00 0.00 -0.04 6.23 0.02 -1.56 -1.97 113.55 116.23 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 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2jwn h SER 59 CO 0.03 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 2jwn n GLY 61 N 1.28 0.21 3.38 0.00 0.00 -0.74 -4.32 105.19 104.99 2jwn n GLY 61 Ca 0.16 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 4.20 -0.02 1.61 0.01 -1.26 -4.13 113.70 110.10 2jwn s SER 62 Ca 0.00 -0.31 -0.20 0.00 1.31 0.00 0.00 55.95 56.75 2jwn s SER 62 Cb 0.00 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 2jwn s SER 62 CO 0.00 0.13 0.58 -0.63 0.41 0.00 0.00 173.24 173.73 2jwn s ILE 63 N 0.58 4.96 -0.25 1.44 1.01 -1.26 -0.65 121.20 127.02 2jwn s ILE 63 Ca -0.06 1.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.76 2jwn s ILE 63 Cb -0.15 -3.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.26 2jwn s ILE 63 CO 0.03 0.40 -0.27 0.59 0.00 0.00 0.00 174.94 175.69 2jwn n ASN 64 N 2.89 1.99 -3.88 3.58 4.13 0.13 -4.82 115.26 119.29 2jwn n ASN 64 Ca -0.07 0.07 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 2jwn n ASN 64 Cb 0.51 -0.55 -0.09 0.00 -1.54 0.00 0.00 39.78 38.11 2jwn n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jwn s ARG 65 N -2.48 0.58 -0.13 3.52 0.52 -1.05 -5.01 118.95 114.91 2jwn s ARG 65 Ca -0.34 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.22 2jwn s ARG 65 Cb 0.11 0.24 0.05 0.00 0.52 0.00 0.00 34.95 35.86 2jwn s ARG 65 CO 0.51 -0.15 0.33 -1.50 0.02 0.00 0.00 175.30 174.50 2jwn s ILE 66 N -2.09 -0.02 -0.09 1.52 2.07 -1.26 -0.24 121.20 121.09 2jwn s ILE 66 Ca -0.09 0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 2jwn s ILE 66 Cb -0.04 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.08 2jwn s ILE 66 CO -0.02 0.04 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.99 2jwn s THR 67 N 1.05 1.56 -0.12 4.00 2.01 -0.08 -4.98 115.64 119.07 2jwn s THR 67 Ca -0.07 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2jwn s THR 67 Cb -0.08 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.07 2jwn s THR 67 CO -0.08 0.45 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.58 2jwn s ILE 68 N 0.60 1.17 -0.09 1.82 1.09 -1.26 -0.29 121.20 124.24 2jwn s ILE 68 Ca -0.15 -0.38 0.04 0.00 -1.10 0.00 0.00 60.65 59.06 2jwn s ILE 68 Cb -0.16 -1.16 -0.00 0.00 -1.06 0.00 0.00 42.46 40.07 2jwn s ILE 68 CO 0.05 0.39 -0.23 -1.48 -0.10 0.00 0.00 174.94 173.56 2jwn s LEU 69 N 1.65 2.05 -0.23 2.97 2.34 0.35 -4.99 118.68 122.83 2jwn s LEU 69 Ca 0.05 -0.53 -0.03 0.00 0.06 0.00 0.00 54.13 53.68 2jwn s LEU 69 Cb -0.13 -1.35 0.00 0.00 -0.56 0.00 0.00 46.19 44.15 2jwn s LEU 69 CO -0.09 0.16 -0.06 0.00 -1.06 0.00 0.00 176.35 175.31 2jwn s ASP 71 N 1.42 3.87 -0.10 0.00 -1.08 -0.19 -4.88 116.67 115.71 2jwn s ASP 71 Ca 0.04 -0.67 0.14 0.00 -0.52 0.00 0.00 52.55 51.54 2jwn s ASP 71 Cb -0.15 -1.61 0.34 0.00 -1.46 0.00 0.00 42.92 40.04 2jwn s ASP 71 CO -0.04 -0.05 1.25 1.17 0.52 0.00 0.00 175.17 178.02 2jwn n LYS 72 N 4.68 2.50 0.29 4.34 4.81 -1.26 0.12 118.16 133.63 2jwn n LYS 72 Ca -0.19 -2.42 0.16 0.00 -0.87 0.00 0.00 58.31 54.99 2jwn n LYS 72 Cb 0.49 -1.51 0.87 0.00 0.02 0.00 0.00 35.03 34.89 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 1.11 0.00 -0.45 5.64 -5.15 -1.94 -0.45 116.94 115.71 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 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 2jwn h PHE 73 CO 0.24 0.06 0.00 0.45 -2.00 0.00 0.00 178.31 177.06 2jwn n SER 74 N -3.55 2.70 0.00 -0.68 2.88 -1.26 -4.93 113.62 108.78 2jwn n SER 74 Ca -0.02 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 2jwn n SER 74 Cb 0.17 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 1.11 2.59 3.69 0.46 0.00 -0.18 -4.95 105.19 107.91 2jwn n GLY 75 Ca 0.16 -0.58 -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 3.46 -0.16 1.61 3.76 -1.26 -4.96 115.29 117.73 2jwn s HIS 76 Ca 0.00 0.95 -0.29 0.00 -0.15 0.00 0.00 55.06 55.57 2jwn s HIS 76 Cb 0.00 -2.70 -0.02 0.00 1.11 0.00 0.00 32.58 30.97 2jwn s HIS 76 CO 0.00 -0.00 1.41 -1.25 -0.85 0.00 0.00 174.74 174.05 2jwn s PRO 77 N 1.25 4.12 0.68 8.40 0.04 -1.26 -4.50 135.00 143.73 2jwn s PRO 77 Ca 0.29 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2jwn s PRO 77 Cb -0.16 -3.87 0.08 0.00 0.04 0.00 0.00 34.50 30.60 2jwn s PRO 77 CO 0.12 -0.87 0.95 0.15 0.04 0.00 0.00 177.00 177.39 2jwn s LYS 78 N 3.87 2.03 -0.28 4.56 1.02 0.33 -4.84 119.74 126.42 2jwn s LYS 78 Ca 0.62 -0.73 -0.23 0.00 0.02 0.00 0.00 55.97 55.65 2jwn s LYS 78 Cb -0.24 -2.31 0.09 0.00 -0.52 0.00 0.00 37.83 34.86 2jwn s LYS 78 CO 0.21 -1.22 0.83 0.20 -0.92 0.00 0.00 175.35 174.45 2jwn s GLY 79 N -4.59 -0.40 -0.10 -3.33 0.00 -1.26 -1.03 107.32 96.62 2jwn s GLY 79 Ca 0.62 2.38 -0.14 0.00 0.00 0.00 0.00 44.72 47.58 2jwn s GLY 79 CO 0.43 1.95 0.37 -2.52 0.00 0.00 0.00 173.10 173.33 2jwn s TYR 80 N 0.62 -0.35 0.05 1.90 -0.85 -0.24 -1.22 117.35 117.27 2jwn s TYR 80 Ca -0.01 0.78 0.04 0.00 -0.52 0.00 0.00 57.07 57.35 2jwn s TYR 80 Cb -0.05 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.40 2jwn s TYR 80 CO -0.06 -0.27 -0.13 0.00 -1.52 0.00 0.00 175.55 173.57 2jwn s ALA 81 N -0.34 1.05 -0.17 9.51 0.00 0.18 -0.49 121.76 131.50 2jwn s ALA 81 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2jwn s ALA 81 Cb -0.03 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2jwn s ALA 81 CO 0.02 0.16 -0.16 0.71 0.00 0.00 0.00 175.76 176.49 2jwn s TYR 82 N -1.04 2.46 -0.11 0.00 1.51 0.60 0.60 117.35 121.37 2jwn s TYR 82 Ca -0.01 -1.45 -0.02 0.00 -1.01 0.00 0.00 57.07 54.58 2jwn s TYR 82 Cb -0.09 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2jwn s TYR 82 CO 0.01 -0.74 -0.04 0.42 -1.11 0.00 0.00 175.55 174.10 2jwn s ILE 83 N 1.39 3.94 -0.17 2.71 -1.09 -0.95 -0.90 121.20 126.13 2jwn s ILE 83 Ca 0.04 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 2jwn s ILE 83 Cb -0.13 -2.67 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 2jwn s ILE 83 CO -0.11 0.56 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.45 2jwn s GLU 84 N -0.36 3.34 0.37 2.79 2.02 0.67 -0.44 118.70 127.09 2jwn s GLU 84 Ca 0.06 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.41 2jwn s GLU 84 Cb -0.12 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 2jwn s GLU 84 CO 0.02 0.00 0.54 -0.06 0.02 0.00 0.00 175.26 175.79 2jwn s PHE 85 N 0.90 3.20 0.06 1.61 0.08 -0.40 0.23 117.98 123.66 2jwn s PHE 85 Ca -0.02 -0.00 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 2jwn s PHE 85 Cb -0.15 -2.08 -0.20 0.00 -0.57 0.00 0.00 43.02 40.02 2jwn s PHE 85 CO -0.00 -0.10 1.20 0.00 -0.10 0.00 0.00 175.22 176.22 2jwn h ALA 86 N 0.72 0.17 -2.89 5.36 0.00 -1.20 -3.43 119.26 118.00 2jwn h ALA 86 Ca -0.47 -0.59 -0.65 0.00 0.00 0.00 0.00 54.91 53.20 2jwn h ALA 86 Cb 1.25 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2jwn h ALA 86 CO 0.56 0.52 -0.52 -1.21 0.00 0.00 0.00 179.25 178.60 2jwn s GLU 87 N -3.48 3.31 0.35 0.00 0.41 -1.26 -4.98 118.70 113.05 2jwn s GLU 87 Ca -0.12 -0.34 0.18 0.00 -0.41 0.00 0.00 54.97 54.29 2jwn s GLU 87 Cb 0.06 -3.03 0.51 0.00 -1.78 0.00 0.00 34.13 29.89 2jwn s GLU 87 CO 0.87 0.69 1.65 -0.09 -0.49 0.00 0.00 175.26 177.88 2jwn h ARG 88 N 4.17 0.00 0.00 1.61 1.12 -1.89 -2.56 114.38 116.82 2jwn h ARG 88 Ca -0.50 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.36 2jwn h ARG 88 Cb 1.19 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.15 2jwn h ARG 88 CO 0.64 0.40 -0.06 -2.95 -3.11 0.00 0.00 179.97 174.89 2jwn h ASN 89 N 0.00 0.00 -0.27 -3.80 7.08 -1.95 -2.89 115.58 113.76 2jwn h ASN 89 Ca -0.00 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.02 2jwn h ASN 89 Cb 1.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.29 2jwn h ASN 89 CO 0.05 0.06 -0.58 0.28 -2.08 0.00 0.00 177.43 175.16 2jwn h SER 90 N 0.00 0.98 -0.48 6.14 0.02 -1.65 -1.92 113.55 116.64 2jwn h SER 90 Ca -0.00 -0.54 -0.12 0.00 -0.84 0.00 0.00 61.79 60.29 2jwn h SER 90 Cb 0.67 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2jwn h SER 90 CO 0.01 1.34 -0.16 1.62 -1.14 0.00 0.00 176.83 178.50 2jwn h VAL 91 N 0.66 1.27 -0.22 2.27 3.04 -1.59 -1.60 116.25 120.07 2jwn h VAL 91 Ca 0.01 -1.31 -0.02 0.00 -1.01 0.00 0.00 66.70 64.37 2jwn h VAL 91 Cb 1.19 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 2jwn h VAL 91 CO 0.13 0.45 0.05 -0.78 -1.01 0.00 0.00 177.57 176.41 2jwn h ASP 92 N 0.85 0.28 0.26 3.17 3.58 -1.43 0.33 116.42 123.47 2jwn h ASP 92 Ca 0.12 -0.03 -0.19 0.00 0.42 0.00 0.00 57.03 57.36 2jwn h ASP 92 Cb 0.72 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2jwn h ASP 92 CO 0.05 0.30 -0.77 0.00 -2.88 0.00 0.00 179.24 175.95 2jwn h ALA 93 N 1.75 0.55 0.02 -0.78 0.00 -0.91 -3.32 119.26 116.57 2jwn h ALA 93 Ca 0.08 -0.63 -0.26 0.00 0.00 0.00 0.00 54.91 54.11 2jwn h ALA 93 Cb 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jwn h ALA 93 CO -0.00 0.77 -1.04 0.00 0.00 0.00 0.00 179.25 178.98 2jwn h ALA 94 N 0.90 0.21 -0.06 0.00 0.00 -0.22 -3.20 119.26 116.88 2jwn h ALA 94 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.17 2jwn h ALA 94 Cb 1.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jwn h ALA 94 CO 0.13 0.75 0.17 -0.39 0.00 0.00 0.00 179.25 179.91 2jwn h VAL 95 N 0.30 0.15 0.00 0.00 -1.51 -1.09 -0.20 116.25 113.90 2jwn h VAL 95 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2jwn h VAL 95 Cb 1.69 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2jwn h VAL 95 CO 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.53 2jwn n ALA 96 N -2.10 1.76 0.24 5.19 0.00 -1.21 -1.62 120.51 122.78 2jwn n ALA 96 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2jwn n ALA 96 Cb 0.25 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.59 2jwn n ALA 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jwn n MET 97 N -1.75 2.46 -0.29 0.00 0.00 -0.09 -4.67 117.12 112.78 2jwn n MET 97 Ca 0.04 -2.26 0.23 0.00 0.00 0.00 0.00 57.70 55.71 2jwn n MET 97 Cb 0.22 -1.49 0.44 0.00 0.00 0.00 0.00 33.22 32.38 2jwn n MET 97 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2jwn n ASP 98 N 1.42 0.18 -4.09 6.12 5.75 -0.64 -2.99 116.55 122.30 2jwn n ASP 98 Ca 0.19 1.48 -0.33 0.00 -0.01 0.00 0.00 54.79 56.12 2jwn n ASP 98 Cb 0.59 -0.66 -0.14 0.00 -1.03 0.00 0.00 41.12 39.87 2jwn n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jwn s GLU 99 N -5.51 1.97 0.16 0.11 2.12 -1.26 -2.63 118.70 113.67 2jwn s GLU 99 Ca -0.09 -1.61 -0.09 0.00 0.36 0.00 0.00 54.97 53.54 2jwn s GLU 99 Cb 0.29 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 2jwn s GLU 99 CO 0.69 -0.81 0.28 -0.08 -0.54 0.00 0.00 175.26 174.80 2jwn s THR 100 N 1.07 0.07 -0.31 -1.70 -1.32 -1.16 -5.03 115.64 107.26 2jwn s THR 100 Ca 0.02 -1.39 -0.04 0.00 -1.21 0.00 0.00 61.69 59.08 2jwn s THR 100 Cb -0.20 -1.84 0.04 0.00 -1.51 0.00 0.00 72.50 68.99 2jwn s THR 100 CO -0.05 -0.30 0.03 0.54 -2.21 0.00 0.00 174.62 172.63 2jwn s VAL 101 N -3.97 3.29 -0.21 5.08 0.11 -1.26 -0.90 120.40 122.54 2jwn s VAL 101 Ca 0.17 -1.24 -0.06 0.00 -2.93 0.00 0.00 61.98 57.92 2jwn s VAL 101 Cb 0.03 -2.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.00 2jwn s VAL 101 CO -0.00 -0.10 0.03 0.12 -3.33 0.00 0.00 175.10 171.82 2jwn s PHE 102 N 1.32 3.07 -0.59 1.54 5.36 0.10 -4.51 117.98 124.28 2jwn s PHE 102 Ca -0.03 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.51 2jwn s PHE 102 Cb -0.19 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 2jwn s PHE 102 CO 0.00 -0.24 0.10 0.54 -1.46 0.00 0.00 175.22 174.16 2jwn n ARG 103 N 4.41 -2.66 0.00 10.12 1.74 -1.26 -1.11 116.66 127.90 2jwn n ARG 103 Ca -0.17 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2jwn n ARG 103 Cb 0.52 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 2jwn n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jwn n GLY 104 N -0.71 0.48 3.09 -0.13 0.00 -1.26 -5.07 105.19 101.59 2jwn n GLY 104 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.79 1.05 -0.07 1.61 1.70 -0.26 -5.09 118.95 117.10 2jwn s ARG 105 Ca 0.00 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 2jwn s ARG 105 Cb 0.00 -1.02 -0.04 0.00 -0.57 0.00 0.00 34.95 33.32 2jwn s ARG 105 CO 0.00 0.28 1.38 0.99 -1.08 0.00 0.00 175.30 176.87 2jwn s THR 106 N -0.30 3.94 0.43 4.99 2.01 -1.26 0.02 115.64 125.46 2jwn s THR 106 Ca 0.05 1.23 0.08 0.00 0.31 0.00 0.00 61.69 63.36 2jwn s THR 106 Cb -0.05 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2jwn s THR 106 CO -0.00 -0.06 0.52 0.27 -0.69 0.00 0.00 174.62 174.66 2jwn s ILE 107 N 3.02 2.80 -0.11 1.82 -4.36 -0.08 -4.79 121.20 119.50 2jwn s ILE 107 Ca 0.62 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.89 2jwn s ILE 107 Cb -0.28 -2.93 0.02 0.00 1.25 0.00 0.00 42.46 40.53 2jwn s ILE 107 CO 0.23 0.00 -0.12 -0.54 0.24 0.00 0.00 174.94 174.75 2jwn s LYS 108 N -4.29 1.93 -0.16 0.37 -0.14 -1.08 -3.80 119.74 112.56 2jwn s LYS 108 Ca 0.53 -0.43 -0.00 0.00 -1.36 0.00 0.00 55.97 54.70 2jwn s LYS 108 Cb -0.07 -1.77 0.04 0.00 -1.68 0.00 0.00 37.83 34.34 2jwn s LYS 108 CO 0.31 -0.16 -0.07 0.14 -0.76 0.00 0.00 175.35 174.81 2jwn s VAL 109 N 1.31 1.19 0.09 3.17 -7.23 -1.08 0.25 120.40 118.10 2jwn s VAL 109 Ca -0.01 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2jwn s VAL 109 Cb -0.14 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2jwn s VAL 109 CO -0.05 0.18 0.17 -1.48 -0.31 0.00 0.00 175.10 173.60 2jwn s LEU 110 N 1.61 1.54 0.23 1.32 -0.00 -0.56 -3.74 118.68 119.07 2jwn s LEU 110 Ca 0.01 -0.70 -0.30 0.00 -0.00 0.00 0.00 54.13 53.15 2jwn s LEU 110 Cb -0.15 0.94 -0.09 0.00 -0.00 0.00 0.00 46.19 46.89 2jwn s LEU 110 CO -0.08 -0.72 0.92 -2.16 -0.00 0.00 0.00 176.35 174.32 2jwn s PRO 111 N -3.87 4.83 0.16 1.48 0.04 -1.26 -0.29 135.00 136.09 2jwn s PRO 111 Ca 0.05 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 2jwn s PRO 111 Cb 0.05 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 2jwn s PRO 111 CO -0.11 0.52 1.02 0.15 0.04 0.00 0.00 177.00 178.63 2jwn s LYS 112 N -1.16 4.67 -0.05 4.56 1.02 -0.29 -4.79 119.74 123.70 2jwn s LYS 112 Ca 0.41 1.58 -0.02 0.00 0.02 0.00 0.00 55.97 57.96 2jwn s LYS 112 Cb -0.26 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2jwn s LYS 112 CO 0.31 0.19 0.10 0.00 -0.92 0.00 0.00 175.35 175.04 2jwn h ARG 113 N 5.16 -0.05 -1.98 1.68 -0.00 -1.88 -3.45 114.38 113.86 2jwn h ARG 113 Ca -0.44 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 58.75 2jwn h ARG 113 Cb 1.21 0.01 -0.31 0.00 0.00 0.00 0.00 29.97 30.88 2jwn h ARG 113 CO 0.72 -0.04 -0.62 0.95 0.00 0.00 0.00 179.97 180.98 2jwn s THR 114 N -1.55 -0.46 -0.29 2.04 -4.23 -1.26 -4.82 115.64 105.08 2jwn s THR 114 Ca -0.01 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2jwn s THR 114 Cb 0.00 -0.92 0.18 0.00 1.34 0.00 0.00 72.50 73.10 2jwn s THR 114 CO 0.02 -0.43 0.54 0.21 -0.54 0.00 0.00 174.62 174.42 2jwn s ASN 115 N 2.23 -1.02 0.04 3.99 2.47 -1.26 -5.14 114.94 116.25 2jwn s ASN 115 Ca 0.11 0.54 -0.30 0.00 0.42 0.00 0.00 52.86 53.62 2jwn s ASN 115 Cb -0.14 1.88 -0.07 0.00 -1.45 0.00 0.00 41.25 41.47 2jwn s ASN 115 CO -0.26 -0.28 1.54 0.00 -3.72 0.00 0.00 177.10 174.37 2jwn s MET 116 N 2.78 4.23 0.62 0.43 0.23 -1.26 -4.89 119.30 121.45 2jwn s MET 116 Ca 0.17 2.17 0.02 0.00 -1.03 0.00 0.00 55.69 57.02 2jwn s MET 116 Cb -0.14 -3.58 0.08 0.00 -1.53 0.00 0.00 34.83 29.66 2jwn s MET 116 CO -0.22 -0.66 0.86 -1.25 -2.03 0.00 0.00 175.02 171.72 2jwn s PRO 117 N 2.51 2.13 0.04 3.16 0.04 -1.26 -4.88 135.00 136.74 2jwn s PRO 117 Ca 0.69 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2jwn s PRO 117 Cb -0.36 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2jwn s PRO 117 CO 0.30 -1.04 0.14 0.20 0.04 0.00 0.00 177.00 176.64 2jwn s GLY 118 N -4.60 2.11 0.25 0.56 0.00 -1.26 -3.71 107.32 100.66 2jwn s GLY 118 Ca 0.62 -0.87 -0.09 0.00 0.00 0.00 0.00 44.72 44.38 2jwn s GLY 118 CO 0.41 -0.81 0.40 -1.50 0.00 0.00 0.00 173.10 171.60 2jwn s ILE 119 N -1.37 0.00 -0.63 0.90 2.07 -0.94 -4.75 121.20 116.47 2jwn s ILE 119 Ca 0.29 -1.56 -0.26 0.00 -1.41 0.00 0.00 60.65 57.70 2jwn s ILE 119 Cb -0.12 -2.33 -0.02 0.00 0.13 0.00 0.00 42.46 40.12 2jwn s ILE 119 CO 0.22 0.00 1.82 -0.44 -1.91 0.00 0.00 174.94 174.63 2jwn s SER 120 N -3.08 5.33 -0.83 4.50 0.01 -1.26 -3.27 113.70 115.10 2jwn s SER 120 Ca 0.27 0.25 -0.26 0.00 1.31 0.00 0.00 55.95 57.52 2jwn s SER 120 Cb 0.01 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2jwn s SER 120 CO 0.11 -2.35 1.36 -0.44 0.41 0.00 0.00 173.24 172.33 2jwn s SER 121 N 7.80 6.22 -0.01 2.44 0.01 -1.26 -4.95 113.70 123.95 2jwn s SER 121 Ca 0.65 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2jwn s SER 121 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2jwn s SER 121 CO 0.19 -1.77 -0.02 0.28 0.41 0.00 0.00 173.24 172.34 2jwn s THR 122 N 5.67 0.20 0.00 1.44 -1.32 -1.26 -5.00 115.64 115.37 2jwn s THR 122 Ca 0.40 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2jwn s THR 122 Cb -0.06 -0.20 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 2jwn s THR 122 CO 0.07 0.08 0.00 -0.67 -2.21 0.00 0.00 174.62 171.89 2jwn n ASP 123 N 3.25 0.00 0.00 8.08 -0.08 -1.26 -5.20 116.55 121.35 2jwn n ASP 123 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2jwn n ASP 123 Cb 0.57 0.15 0.00 0.00 2.34 0.00 0.00 41.12 44.18 2jwn n ASP 123 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18