#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwn s VAL 2 N 0.00 3.94 0.08 1.61 1.01 -1.26 -1.33 120.40 124.45 3jwn s VAL 2 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3jwn s VAL 2 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3jwn s VAL 2 CO 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 3jwn s ALA 3 N 0.21 0.98 0.08 5.51 0.00 -0.14 -4.99 121.76 123.42 3jwn s ALA 3 Ca -0.02 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.86 3jwn s ALA 3 Cb -0.14 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3jwn s ALA 3 CO 0.03 -0.06 -0.00 -0.51 0.00 0.00 0.00 175.76 175.21 3jwn s LEU 4 N -2.35 3.47 0.34 0.00 1.43 -1.26 -1.23 118.68 119.08 3jwn s LEU 4 Ca 0.03 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 3jwn s LEU 4 Cb -0.03 -2.19 0.63 0.00 0.03 0.00 0.00 46.19 44.63 3jwn s LEU 4 CO -0.01 0.18 1.82 1.23 0.23 0.00 0.00 176.35 179.81 3jwn h GLY 5 N 3.50 0.30 -3.74 -3.19 0.00 -1.48 -3.45 103.07 95.02 3jwn h GLY 5 Ca -0.48 -0.22 -0.38 0.00 0.00 0.00 0.00 47.33 46.25 3jwn h GLY 5 CO 0.60 0.20 -0.75 0.00 0.00 0.00 0.00 176.54 176.59 3jwn s ALA 6 N -4.53 1.32 -1.00 3.60 0.00 -1.26 -4.97 121.76 114.92 3jwn s ALA 6 Ca -0.05 -1.22 0.25 0.00 0.00 0.00 0.00 51.96 50.94 3jwn s ALA 6 Cb 0.15 -0.04 0.58 0.00 0.00 0.00 0.00 23.12 23.80 3jwn s ALA 6 CO 0.75 0.06 1.47 0.25 0.00 0.00 0.00 175.76 178.29 3jwn n THR 7 N 0.62 0.00 -3.87 0.00 -2.24 -1.26 -4.94 114.28 102.60 3jwn n THR 7 Ca -0.16 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 3jwn n THR 7 Cb 0.57 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 3jwn n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwn s ARG 8 N -3.00 1.55 -0.06 -0.78 3.03 -1.26 -4.01 118.95 114.42 3jwn s ARG 8 Ca 0.11 -1.04 0.01 0.00 2.03 0.00 0.00 55.73 56.84 3jwn s ARG 8 Cb 0.18 0.53 0.02 0.00 -1.03 0.00 0.00 34.95 34.64 3jwn s ARG 8 CO 0.68 -0.67 -0.05 0.08 -1.13 0.00 0.00 175.30 174.22 3jwn s VAL 9 N -3.94 0.62 -0.15 4.99 1.01 -0.07 -4.98 120.40 117.88 3jwn s VAL 9 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 3jwn s VAL 9 Cb -0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3jwn s VAL 9 CO 0.04 0.26 0.34 -0.63 0.00 0.00 0.00 175.10 175.11 3jwn s ILE 10 N 1.14 5.27 -0.37 2.22 -1.09 -1.26 -0.81 121.20 126.30 3jwn s ILE 10 Ca -0.07 0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 59.00 3jwn s ILE 10 Cb -0.14 -3.68 0.10 0.00 -1.58 0.00 0.00 42.46 37.16 3jwn s ILE 10 CO -0.01 0.38 0.13 -0.47 -1.23 0.00 0.00 174.94 173.73 3jwn s TYR 11 N 0.46 3.63 0.22 3.97 5.04 0.10 -4.95 117.35 125.82 3jwn s TYR 11 Ca 0.19 -2.61 -0.30 0.00 -2.44 0.00 0.00 57.07 51.91 3jwn s TYR 11 Cb -0.14 -3.02 -0.09 0.00 0.35 0.00 0.00 41.96 39.07 3jwn s TYR 11 CO 0.06 -0.95 1.20 -2.14 -1.34 0.00 0.00 175.55 172.37 3jwn s PRO 12 N 1.05 4.50 0.37 4.97 0.02 -1.26 0.07 135.00 144.71 3jwn s PRO 12 Ca 0.08 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.73 3jwn s PRO 12 Cb -0.21 -3.21 -0.11 0.00 0.02 0.00 0.00 34.50 30.98 3jwn s PRO 12 CO -0.05 -0.06 1.42 0.00 -0.33 0.00 0.00 177.00 177.97 3jwn n ALA 13 N 2.14 1.98 0.00 -1.55 0.00 0.11 -2.25 120.51 120.94 3jwn n ALA 13 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3jwn n ALA 13 Cb 0.44 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.53 3jwn n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwn n GLY 14 N 0.57 3.25 3.76 0.00 0.00 -1.26 -4.70 105.19 106.80 3jwn n GLY 14 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3jwn n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jwn s GLN 15 N -0.56 3.52 -0.00 1.61 -1.52 -0.95 -4.95 119.66 116.81 3jwn s GLN 15 Ca 0.00 2.15 0.13 0.00 -1.95 0.00 0.00 55.36 55.69 3jwn s GLN 15 Cb 0.00 -2.45 -0.21 0.00 -0.22 0.00 0.00 33.01 30.13 3jwn s GLN 15 CO 0.00 -0.86 0.78 0.87 -0.25 0.00 0.00 175.29 175.83 3jwn h LYS 16 N 1.96 0.00 -2.94 2.91 1.79 -1.95 -3.43 116.57 114.91 3jwn h LYS 16 Ca -0.50 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3jwn h LYS 16 Cb 1.27 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.82 3jwn h LYS 16 CO 0.60 0.51 0.24 1.14 -1.08 0.00 0.00 179.45 180.85 3jwn s GLN 17 N -2.67 1.38 0.10 3.15 0.00 -1.26 -4.27 119.66 116.08 3jwn s GLN 17 Ca -0.04 -0.60 0.05 0.00 -0.00 0.00 0.00 55.36 54.78 3jwn s GLN 17 Cb 0.08 0.58 -0.03 0.00 0.00 0.00 0.00 33.01 33.64 3jwn s GLN 17 CO 0.82 -0.61 -0.13 -1.21 0.00 0.00 0.00 175.29 174.15 3jwn s GLU 18 N -3.74 0.92 -0.01 9.60 0.41 -0.54 -4.97 118.70 120.37 3jwn s GLU 18 Ca 0.04 -1.13 0.02 0.00 -0.41 0.00 0.00 54.97 53.50 3jwn s GLU 18 Cb -0.02 -0.80 -0.03 0.00 -1.78 0.00 0.00 34.13 31.49 3jwn s GLU 18 CO -0.07 0.16 -0.05 -0.65 -0.49 0.00 0.00 175.26 174.15 3jwn s GLN 19 N -2.38 2.63 -0.04 1.61 -0.21 -1.26 -0.77 119.66 119.24 3jwn s GLN 19 Ca 0.05 -0.67 -0.01 0.00 0.02 0.00 0.00 55.36 54.75 3jwn s GLN 19 Cb -0.06 -2.55 0.03 0.00 1.00 0.00 0.00 33.01 31.42 3jwn s GLN 19 CO 0.02 0.62 0.02 -1.17 -2.12 0.00 0.00 175.29 172.66 3jwn s LEU 20 N -1.36 0.73 0.22 2.90 2.96 -0.64 -4.97 118.68 118.51 3jwn s LEU 20 Ca 0.17 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.84 3jwn s LEU 20 Cb -0.11 -0.22 -0.08 0.00 0.50 0.00 0.00 46.19 46.27 3jwn s LEU 20 CO 0.07 -0.17 0.80 0.00 -1.32 0.00 0.00 176.35 175.73 3jwn s ALA 21 N 1.56 3.39 -0.09 5.97 0.00 -1.26 -0.42 121.76 130.91 3jwn s ALA 21 Ca -0.02 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3jwn s ALA 21 Cb -0.13 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.04 3jwn s ALA 21 CO -0.03 0.28 -0.09 0.08 0.00 0.00 0.00 175.76 176.00 3jwn s VAL 22 N -1.36 1.00 -0.06 0.00 1.01 0.03 -1.11 120.40 119.90 3jwn s VAL 22 Ca 0.41 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3jwn s VAL 22 Cb -0.20 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3jwn s VAL 22 CO 0.24 0.35 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 3jwn s THR 23 N 1.26 0.95 -0.31 3.92 2.01 -0.36 -1.06 115.64 122.04 3jwn s THR 23 Ca -0.04 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 3jwn s THR 23 Cb -0.14 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3jwn s THR 23 CO -0.03 0.32 0.18 0.21 -0.69 0.00 0.00 174.62 174.61 3jwn s ASN 24 N 0.86 5.74 0.00 3.53 2.47 -0.72 -0.97 114.94 125.86 3jwn s ASN 24 Ca -0.11 -0.41 0.23 0.00 0.42 0.00 0.00 52.86 52.99 3jwn s ASN 24 Cb -0.15 -2.05 0.75 0.00 -1.45 0.00 0.00 41.25 38.34 3jwn s ASN 24 CO 0.01 -0.18 1.56 -0.46 -3.72 0.00 0.00 177.10 174.31 3jwn n ASN 25 N 5.03 1.90 -4.51 -4.21 6.94 -0.44 -2.34 115.26 117.64 3jwn n ASN 25 Ca -0.14 -1.71 -0.37 0.00 -0.02 0.00 0.00 54.58 52.35 3jwn n ASN 25 Cb 0.50 -0.09 -0.12 0.00 -2.36 0.00 0.00 39.78 37.71 3jwn n ASN 25 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3jwn s ASP 26 N -1.68 5.41 0.42 0.53 -1.08 -1.26 -4.87 116.67 114.14 3jwn s ASP 26 Ca 0.34 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 3jwn s ASP 26 Cb 0.19 -1.98 0.90 0.00 -1.46 0.00 0.00 42.92 40.57 3jwn s ASP 26 CO 0.29 -0.01 1.84 -0.33 0.52 0.00 0.00 175.17 177.48 3jwn h GLU 27 N 8.06 0.00 0.00 4.34 3.07 -1.89 -3.15 114.58 125.02 3jwn h GLU 27 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3jwn h GLU 27 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3jwn h GLU 27 CO 0.59 0.30 -1.55 0.09 -1.40 0.00 0.00 179.01 177.03 3jwn n ASN 28 N -3.63 0.42 -4.87 1.42 3.02 -1.26 -4.38 115.26 105.98 3jwn n ASN 28 Ca -0.01 -0.38 -0.31 0.00 -0.03 0.00 0.00 54.58 53.86 3jwn n ASN 28 Cb 0.42 1.53 -0.04 0.00 -0.61 0.00 0.00 39.78 41.08 3jwn n ASN 28 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3jwn s SER 29 N -3.93 6.57 -0.11 6.41 0.01 -1.23 -4.92 113.70 116.50 3jwn s SER 29 Ca -0.01 1.11 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 3jwn s SER 29 Cb 0.15 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 64.11 3jwn s SER 29 CO 0.89 -0.32 0.05 -0.89 0.41 0.00 0.00 173.24 173.37 3jwn s THR 30 N -2.24 0.14 0.15 1.44 2.01 -1.26 -1.57 115.64 114.32 3jwn s THR 30 Ca 0.51 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.58 3jwn s THR 30 Cb -0.10 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3jwn s THR 30 CO 0.28 0.00 0.01 -0.31 -0.69 0.00 0.00 174.62 173.92 3jwn s TYR 31 N 2.05 2.91 -0.24 4.92 2.02 -0.45 -0.08 117.35 128.47 3jwn s TYR 31 Ca 0.03 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.46 3jwn s TYR 31 Cb -0.14 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 3jwn s TYR 31 CO -0.06 0.51 0.47 -0.51 -1.57 0.00 0.00 175.55 174.39 3jwn s LEU 32 N -2.82 4.09 -0.25 -1.29 1.43 0.84 -1.23 118.68 119.45 3jwn s LEU 32 Ca 0.27 0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.81 3jwn s LEU 32 Cb -0.10 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3jwn s LEU 32 CO 0.19 -0.21 0.10 -0.63 0.23 0.00 0.00 176.35 176.03 3jwn s ILE 33 N 1.94 4.57 -0.14 -0.59 -1.09 0.63 -0.48 121.20 126.04 3jwn s ILE 33 Ca 0.20 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.55 3jwn s ILE 33 Cb -0.15 -3.15 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 3jwn s ILE 33 CO 0.09 0.32 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.39 3jwn s GLN 34 N 1.60 2.43 -0.00 2.79 0.74 -0.27 -1.73 119.66 125.22 3jwn s GLN 34 Ca 0.06 -0.62 0.04 0.00 0.05 0.00 0.00 55.36 54.90 3jwn s GLN 34 Cb -0.15 -2.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.80 3jwn s GLN 34 CO 0.05 -0.18 -0.14 -1.12 -0.55 0.00 0.00 175.29 173.35 3jwn s SER 35 N 1.31 1.66 0.18 6.67 0.01 -0.73 -0.52 113.70 122.29 3jwn s SER 35 Ca 0.02 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.75 3jwn s SER 35 Cb -0.13 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 65.98 3jwn s SER 35 CO -0.09 0.15 0.78 -1.66 0.41 0.00 0.00 173.24 172.84 3jwn s TRP 36 N -0.43 -0.27 0.01 2.43 -2.14 -0.70 -4.71 118.94 113.13 3jwn s TRP 36 Ca 0.05 -0.05 0.04 0.00 2.66 0.00 0.00 56.10 58.81 3jwn s TRP 36 Cb -0.06 0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 30.91 3jwn s TRP 36 CO -0.00 -0.94 -0.11 0.08 -2.66 0.00 0.00 176.95 173.32 3jwn s VAL 37 N -3.59 3.32 0.23 -0.66 1.01 -1.26 -1.02 120.40 118.43 3jwn s VAL 37 Ca 0.08 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3jwn s VAL 37 Cb -0.03 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3jwn s VAL 37 CO -0.01 0.39 -0.14 -1.61 0.00 0.00 0.00 175.10 173.73 3jwn s GLU 38 N -1.36 1.43 0.88 2.72 2.02 0.12 -4.56 118.70 119.93 3jwn s GLU 38 Ca 0.16 -1.65 -0.10 0.00 0.02 0.00 0.00 54.97 53.39 3jwn s GLU 38 Cb -0.11 -1.25 0.17 0.00 0.10 0.00 0.00 34.13 33.04 3jwn s GLU 38 CO 0.06 0.20 1.20 0.54 0.02 0.00 0.00 175.26 177.28 3jwn s ASN 39 N -3.37 3.55 0.57 -0.19 2.20 -0.67 -0.41 114.94 116.62 3jwn s ASN 39 Ca 0.25 0.02 0.27 0.00 -0.94 0.00 0.00 52.86 52.46 3jwn s ASN 39 Cb -0.01 -0.18 1.54 0.00 -2.00 0.00 0.00 41.25 40.60 3jwn s ASN 39 CO 0.09 -2.42 2.06 0.00 -2.94 0.00 0.00 177.10 173.88 3jwn h ALA 40 N -1.24 2.03 -0.36 3.54 0.00 -1.88 0.23 119.26 121.58 3jwn h ALA 40 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3jwn h ALA 40 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3jwn h ALA 40 CO 0.38 -0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 3jwn n ASP 41 N -3.99 1.96 -0.85 0.00 8.00 -1.26 -4.93 116.55 115.48 3jwn n ASP 41 Ca 0.04 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.45 3jwn n ASP 41 Cb 0.41 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3jwn n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jwn n GLY 42 N 1.09 0.74 3.58 0.44 0.00 0.81 -5.02 105.19 106.82 3jwn n GLY 42 Ca 0.12 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 3jwn n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwn s VAL 43 N -2.39 4.11 -0.91 1.61 1.01 -1.26 -4.82 120.40 117.76 3jwn s VAL 43 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 3jwn s VAL 43 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3jwn s VAL 43 CO 0.00 0.53 1.91 -0.54 0.00 0.00 0.00 175.10 177.00 3jwn s LYS 44 N -0.10 2.63 0.00 2.72 -0.14 -1.26 -1.67 119.74 121.92 3jwn s LYS 44 Ca 0.03 -0.35 0.25 0.00 -1.36 0.00 0.00 55.97 54.54 3jwn s LYS 44 Cb -0.13 -5.08 0.53 0.00 -1.68 0.00 0.00 37.83 31.47 3jwn s LYS 44 CO 0.02 -3.29 1.43 -0.40 -0.76 0.00 0.00 175.35 172.35 3jwn n ASP 45 N 13.60 1.62 -0.52 2.83 5.68 -1.26 -4.98 116.55 133.52 3jwn n ASP 45 Ca 0.40 -1.30 -0.05 0.00 -0.50 0.00 0.00 54.79 53.34 3jwn n ASP 45 Cb 0.47 0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.64 3jwn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jwn n GLY 46 N 1.34 0.26 0.17 6.12 0.00 -1.26 -4.93 105.19 106.88 3jwn n GLY 46 Ca 0.13 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.56 3jwn n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3jwn h ARG 47 N 0.00 0.00 -3.91 1.61 2.47 -1.93 -3.45 114.38 109.17 3jwn h ARG 47 Ca -0.11 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.29 3jwn h ARG 47 Cb 0.97 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 28.97 3jwn h ARG 47 CO 0.14 0.00 -0.75 -0.06 0.56 0.00 0.00 179.97 179.86 3jwn s PHE 48 N -3.17 0.33 0.03 3.04 0.08 -1.26 -0.50 117.98 116.52 3jwn s PHE 48 Ca 0.08 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.99 3jwn s PHE 48 Cb 0.08 -0.32 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 3jwn s PHE 48 CO 0.64 -0.07 0.36 0.42 -0.10 0.00 0.00 175.22 176.47 3jwn s ILE 49 N 0.49 5.14 -0.12 0.64 -1.09 -0.17 -4.64 121.20 121.45 3jwn s ILE 49 Ca -0.05 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.89 3jwn s ILE 49 Cb -0.08 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3jwn s ILE 49 CO -0.01 0.42 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.31 3jwn s VAL 50 N -1.25 3.15 -0.04 2.92 1.01 -1.26 0.29 120.40 125.22 3jwn s VAL 50 Ca 0.28 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3jwn s VAL 50 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3jwn s VAL 50 CO 0.15 0.53 -0.04 0.28 0.00 0.00 0.00 175.10 176.01 3jwn s THR 51 N 0.23 0.52 0.29 3.92 -1.32 -0.05 -3.15 115.64 116.07 3jwn s THR 51 Ca -0.08 -0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 3jwn s THR 51 Cb -0.15 -0.55 -0.09 0.00 -1.51 0.00 0.00 72.50 70.20 3jwn s THR 51 CO 0.05 0.22 1.04 -2.16 -2.21 0.00 0.00 174.62 171.56 3jwn s PRO 52 N 0.88 4.63 0.37 7.08 0.04 -1.26 -0.92 135.00 145.82 3jwn s PRO 52 Ca -0.12 1.66 0.20 0.00 0.04 0.00 0.00 61.00 62.77 3jwn s PRO 52 Cb -0.14 -3.10 0.60 0.00 0.04 0.00 0.00 34.50 31.90 3jwn s PRO 52 CO 0.00 0.25 1.69 -1.00 0.04 0.00 0.00 177.00 177.98 3jwn h PRO 53 N 3.69 0.00 -2.82 0.56 0.13 -1.83 -3.43 132.00 128.30 3jwn h PRO 53 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 3jwn h PRO 53 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 3jwn h PRO 53 CO 0.66 0.35 -0.40 -1.17 -0.23 0.00 0.00 178.00 177.22 3jwn s LEU 54 N -6.82 0.08 0.28 1.56 2.96 -1.26 -1.77 118.68 113.71 3jwn s LEU 54 Ca 0.01 0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 54.48 3jwn s LEU 54 Cb 0.10 1.03 0.01 0.00 0.50 0.00 0.00 46.19 47.83 3jwn s LEU 54 CO 0.68 -0.19 0.61 0.72 -1.32 0.00 0.00 176.35 176.86 3jwn s PHE 55 N 1.49 0.17 -0.26 5.38 -0.12 -0.70 -5.01 117.98 118.92 3jwn s PHE 55 Ca -0.08 -0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 56.18 3jwn s PHE 55 Cb -0.10 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.77 3jwn s PHE 55 CO -0.11 -1.17 -0.05 0.00 -0.05 0.00 0.00 175.22 173.85 3jwn s ALA 56 N -3.71 2.73 -0.37 1.99 0.00 -1.26 -0.26 121.76 120.88 3jwn s ALA 56 Ca 0.18 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.41 3jwn s ALA 56 Cb -0.03 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3jwn s ALA 56 CO 0.09 -0.88 0.75 -1.64 0.00 0.00 0.00 175.76 174.09 3jwn s MET 57 N 1.33 3.71 -0.35 0.00 -1.94 -0.37 -4.99 119.30 116.70 3jwn s MET 57 Ca -0.00 0.23 -0.10 0.00 -1.71 0.00 0.00 55.69 54.10 3jwn s MET 57 Cb -0.17 -3.82 0.02 0.00 2.01 0.00 0.00 34.83 32.87 3jwn s MET 57 CO -0.04 -0.84 0.18 0.15 -0.01 0.00 0.00 175.02 174.46 3jwn s LYS 58 N 3.02 2.96 2.41 2.03 1.02 -1.26 -1.34 119.74 128.58 3jwn s LYS 58 Ca 0.30 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3jwn s LYS 58 Cb -0.13 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 3jwn s LYS 58 CO 0.17 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 3jwn n GLY 59 N 4.97 -0.54 3.55 -3.33 0.00 -0.61 -4.60 105.19 104.64 3jwn n GLY 59 Ca -0.13 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 3jwn n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwn s LYS 60 N 0.00 2.80 0.19 1.61 2.20 -1.19 -4.71 119.74 120.64 3jwn s LYS 60 Ca 0.00 0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.86 3jwn s LYS 60 Cb 0.00 -4.37 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 3jwn s LYS 60 CO 0.00 -2.58 0.21 0.15 -0.36 0.00 0.00 175.35 172.77 3jwn s LYS 61 N 6.63 1.21 0.01 4.03 3.01 -0.99 -5.02 119.74 128.62 3jwn s LYS 61 Ca 0.58 -1.45 0.01 0.00 -1.01 0.00 0.00 55.97 54.10 3jwn s LYS 61 Cb -0.11 0.32 -0.01 0.00 -1.01 0.00 0.00 37.83 37.02 3jwn s LYS 61 CO 0.18 -0.42 -0.05 -2.00 0.51 0.00 0.00 175.35 173.57 3jwn s GLU 62 N -4.08 0.38 -0.04 1.68 -6.30 -1.26 -1.75 118.70 107.33 3jwn s GLU 62 Ca 0.30 -0.28 -0.04 0.00 -2.50 0.00 0.00 54.97 52.44 3jwn s GLU 62 Cb 0.05 -0.32 0.01 0.00 0.00 0.00 0.00 34.13 33.87 3jwn s GLU 62 CO 0.08 0.08 0.12 1.21 0.02 0.00 0.00 175.26 176.76 3jwn s ASN 63 N -0.41 -0.10 -0.33 -1.70 2.47 -0.23 -5.01 114.94 109.63 3jwn s ASN 63 Ca -0.01 0.18 -0.10 0.00 0.42 0.00 0.00 52.86 53.35 3jwn s ASN 63 Cb -0.03 0.24 -0.00 0.00 -1.45 0.00 0.00 41.25 40.00 3jwn s ASN 63 CO -0.00 -0.08 0.17 -0.89 -3.72 0.00 0.00 177.10 172.58 3jwn s THR 64 N -0.11 4.67 0.63 -5.21 2.01 -1.26 -0.79 115.64 115.57 3jwn s THR 64 Ca -0.02 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 3jwn s THR 64 Cb -0.02 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3jwn s THR 64 CO 0.00 0.00 1.06 -0.76 -0.69 0.00 0.00 174.62 174.23 3jwn s LEU 65 N 1.61 3.39 -0.08 4.42 1.43 0.44 -4.77 118.68 125.14 3jwn s LEU 65 Ca 0.04 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3jwn s LEU 65 Cb -0.17 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.55 3jwn s LEU 65 CO 0.07 -1.28 -0.03 -0.13 0.23 0.00 0.00 176.35 175.21 3jwn s ARG 66 N -4.33 0.95 -0.24 1.70 0.52 -0.10 -1.63 118.95 115.82 3jwn s ARG 66 Ca 0.62 -0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.63 3jwn s ARG 66 Cb -0.16 -1.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 3jwn s ARG 66 CO 0.42 -0.23 0.34 0.42 0.02 0.00 0.00 175.30 176.27 3jwn s ILE 67 N 1.61 5.22 -0.07 1.52 1.01 0.05 -0.87 121.20 129.67 3jwn s ILE 67 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 60.65 61.20 3jwn s ILE 67 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3jwn s ILE 67 CO -0.04 0.23 -0.03 -0.76 0.00 0.00 0.00 174.94 174.33 3jwn s LEU 68 N 1.57 3.37 0.24 2.97 1.43 0.14 -1.46 118.68 126.94 3jwn s LEU 68 Ca 0.15 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 3jwn s LEU 68 Cb -0.15 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3jwn s LEU 68 CO 0.08 0.36 1.29 -0.62 0.23 0.00 0.00 176.35 177.70 3jwn s ASP 69 N -0.91 6.90 -0.01 2.29 -1.08 -1.26 -1.00 116.67 121.59 3jwn s ASP 69 Ca 0.13 2.47 0.22 0.00 -0.52 0.00 0.00 52.55 54.85 3jwn s ASP 69 Cb -0.11 -2.62 0.37 0.00 -1.46 0.00 0.00 42.92 39.09 3jwn s ASP 69 CO 0.03 -0.50 1.15 0.00 0.52 0.00 0.00 175.17 176.37 3jwn n ALA 70 N 2.02 2.38 0.04 3.66 0.00 0.34 -4.81 120.51 124.13 3jwn n ALA 70 Ca 0.04 -2.21 -0.14 0.00 0.00 0.00 0.00 53.44 51.13 3jwn n ALA 70 Cb 0.43 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 3jwn n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3jwn h THR 71 N 6.63 1.14 -4.86 0.00 1.35 -1.86 -3.44 112.91 111.88 3jwn h THR 71 Ca -0.18 -2.84 -0.36 0.00 -0.55 0.00 0.00 66.41 62.48 3jwn h THR 71 Cb 1.78 2.68 0.10 0.00 -1.73 0.00 0.00 68.15 70.98 3jwn h THR 71 CO 0.08 0.78 -0.58 0.59 -0.25 0.00 0.00 175.52 176.13 3jwn n ASN 72 N -3.35 -5.82 -3.18 5.36 5.03 -1.26 -3.17 115.26 108.87 3jwn n ASN 72 Ca -0.15 -0.40 -0.23 0.00 0.87 0.00 0.00 54.58 54.67 3jwn n ASN 72 Cb 1.03 -4.50 0.05 0.00 -1.02 0.00 0.00 39.78 35.34 3jwn n ASN 72 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3jwn n ASN 73 N -2.34 -6.23 -2.04 6.41 3.02 -1.26 -4.92 115.26 107.90 3jwn n ASN 73 Ca -0.03 -0.36 -0.25 0.00 -0.03 0.00 0.00 54.58 53.90 3jwn n ASN 73 Cb 0.57 -4.99 0.10 0.00 -0.61 0.00 0.00 39.78 34.86 3jwn n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwn n GLN 74 N -4.33 2.72 -4.43 3.52 6.02 -1.19 -4.97 117.38 114.71 3jwn n GLN 74 Ca -0.08 -3.46 -0.21 0.00 -0.01 0.00 0.00 57.00 53.24 3jwn n GLN 74 Cb 0.60 -2.19 -0.10 0.00 1.02 0.00 0.00 30.24 29.57 3jwn n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jwn s LEU 75 N -3.60 2.48 0.17 1.08 1.43 -1.26 -5.10 118.68 113.88 3jwn s LEU 75 Ca 0.57 -1.20 -0.33 0.00 -1.03 0.00 0.00 54.13 52.14 3jwn s LEU 75 Cb 0.46 -0.64 -0.13 0.00 0.03 0.00 0.00 46.19 45.92 3jwn s LEU 75 CO 0.02 -0.35 1.67 -2.65 0.23 0.00 0.00 176.35 175.27 3jwn n PRO 76 N -0.59 2.49 0.08 1.29 -0.02 -1.26 -4.89 135.00 132.10 3jwn n PRO 76 Ca -0.05 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 3jwn n PRO 76 Cb 0.63 -2.72 0.18 0.00 -0.02 0.00 0.00 33.50 31.58 3jwn n PRO 76 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3jwn h GLN 77 N 6.58 0.00 0.00 -0.52 4.20 -1.98 -3.38 115.11 120.02 3jwn h GLN 77 Ca -0.44 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 3jwn h GLN 77 Cb 1.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3jwn h GLN 77 CO 0.93 0.00 -1.16 -0.40 -0.67 0.00 0.00 178.83 177.53 3jwn n ASP 78 N -2.26 0.85 -3.52 1.46 5.75 -1.26 -4.75 116.55 112.82 3jwn n ASP 78 Ca 0.03 0.34 -0.13 0.00 -0.01 0.00 0.00 54.79 55.03 3jwn n ASP 78 Cb 0.46 0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.86 3jwn n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jwn s ARG 79 N -3.21 1.77 0.54 0.11 3.03 -1.26 -4.76 118.95 115.17 3jwn s ARG 79 Ca -0.01 -1.59 -0.19 0.00 2.03 0.00 0.00 55.73 55.97 3jwn s ARG 79 Cb 0.09 0.45 -0.06 0.00 -1.03 0.00 0.00 34.95 34.40 3jwn s ARG 79 CO 0.80 -0.73 1.13 -1.21 -1.13 0.00 0.00 175.30 174.15 3jwn s GLU 80 N -3.38 3.36 -0.03 3.89 2.02 0.03 -4.55 118.70 120.04 3jwn s GLU 80 Ca 0.28 1.60 0.07 0.00 0.02 0.00 0.00 54.97 56.93 3jwn s GLU 80 Cb -0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 3jwn s GLU 80 CO 0.16 -0.84 -0.23 -1.12 0.02 0.00 0.00 175.26 173.24 3jwn s SER 81 N -1.80 3.29 -0.22 -0.19 0.01 -0.73 -4.88 113.70 109.18 3jwn s SER 81 Ca 0.72 -0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.44 3jwn s SER 81 Cb -0.24 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 3jwn s SER 81 CO 0.27 0.32 0.32 -0.22 0.41 0.00 0.00 173.24 174.34 3jwn s LEU 82 N -0.60 4.13 0.36 2.44 2.96 -1.26 -0.88 118.68 125.83 3jwn s LEU 82 Ca 0.09 0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 3jwn s LEU 82 Cb -0.10 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 3jwn s LEU 82 CO -0.00 -0.04 0.05 -0.36 -1.32 0.00 0.00 176.35 174.67 3jwn s PHE 83 N 1.30 2.11 -0.11 5.38 0.08 0.56 -2.98 117.98 124.32 3jwn s PHE 83 Ca 0.15 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.31 3jwn s PHE 83 Cb -0.14 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3jwn s PHE 83 CO 0.07 0.12 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.62 3jwn s TRP 84 N -3.12 1.71 -0.11 0.36 0.52 0.45 -0.41 118.94 118.34 3jwn s TRP 84 Ca 0.35 -0.84 -0.16 0.00 0.02 0.00 0.00 56.10 55.46 3jwn s TRP 84 Cb 0.09 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 31.04 3jwn s TRP 84 CO 0.16 -0.51 0.40 1.41 0.02 0.00 0.00 176.95 178.44 3jwn s MET 85 N 1.38 4.24 -0.09 4.98 -2.45 0.28 -0.70 119.30 126.94 3jwn s MET 85 Ca 0.00 0.32 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 3jwn s MET 85 Cb -0.13 -3.39 0.01 0.00 1.25 0.00 0.00 34.83 32.56 3jwn s MET 85 CO -0.06 0.28 -0.16 -0.80 1.05 0.00 0.00 175.02 175.33 3jwn s ASN 86 N 0.28 2.30 -0.22 1.11 0.01 -0.19 -1.17 114.94 117.06 3jwn s ASN 86 Ca 0.22 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 3jwn s ASN 86 Cb -0.15 -1.05 0.05 0.00 0.41 0.00 0.00 41.25 40.52 3jwn s ASN 86 CO 0.09 0.06 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.98 3jwn s VAL 87 N 0.65 1.56 -0.30 1.60 1.01 -0.37 -1.72 120.40 122.84 3jwn s VAL 87 Ca -0.14 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 3jwn s VAL 87 Cb -0.16 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3jwn s VAL 87 CO 0.04 -0.01 0.13 -0.75 0.00 0.00 0.00 175.10 174.50 3jwn s LYS 88 N 1.40 3.34 -0.33 2.72 2.20 0.33 -1.18 119.74 128.21 3jwn s LYS 88 Ca -0.04 -0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 54.73 3jwn s LYS 88 Cb -0.18 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3jwn s LYS 88 CO -0.07 -0.39 0.25 0.00 -0.36 0.00 0.00 175.35 174.78 3jwn s ALA 89 N 1.59 3.51 -0.31 3.13 0.00 0.28 -1.11 121.76 128.86 3jwn s ALA 89 Ca 0.04 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.66 3jwn s ALA 89 Cb -0.17 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.34 3jwn s ALA 89 CO 0.05 -0.90 0.03 0.42 0.00 0.00 0.00 175.76 175.36 3jwn s ILE 90 N 1.77 3.33 0.00 0.00 1.01 0.36 -1.04 121.20 126.64 3jwn s ILE 90 Ca 0.07 -1.18 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 3jwn s ILE 90 Cb -0.17 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 3jwn s ILE 90 CO 0.11 -0.07 1.57 -2.16 0.00 0.00 0.00 174.94 174.38 3jwn s PRO 91 N 1.34 4.22 -0.21 2.79 0.04 -1.26 -0.11 135.00 141.80 3jwn s PRO 91 Ca -0.03 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 3jwn s PRO 91 Cb -0.19 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 3jwn s PRO 91 CO 0.00 -0.72 0.59 -1.54 0.04 0.00 0.00 177.00 175.37 3jwn s SER 92 N 2.54 6.62 0.00 6.66 1.04 0.88 -4.92 113.70 126.52 3jwn s SER 92 Ca 0.70 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.89 3jwn s SER 92 Cb -0.35 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3jwn s SER 92 CO 0.29 -0.26 0.00 0.23 0.98 0.00 0.00 173.24 174.48 3jwn n MET 93 N 5.11 3.42 0.00 4.02 2.81 -1.26 -4.75 117.12 126.46 3jwn n MET 93 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3jwn n MET 93 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 3jwn n MET 93 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3jwn n GLU 100 N 0.00 0.00 -3.67 0.03 1.02 -1.26 -5.21 120.64 111.55 3jwn n GLU 100 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 3jwn n GLU 100 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3jwn n GLU 100 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jwn n ASN 101 N 0.00 -3.10 -4.59 1.62 3.02 -1.26 -4.92 115.26 106.03 3jwn n ASN 101 Ca 0.00 -0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 53.43 3jwn n ASN 101 Cb 0.00 -1.10 -0.11 0.00 -0.61 0.00 0.00 39.78 37.96 3jwn n ASN 101 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3jwn s THR 102 N -3.27 3.68 -0.43 3.41 -4.23 -1.26 -5.08 115.64 108.46 3jwn s THR 102 Ca 0.16 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 3jwn s THR 102 Cb -0.09 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3jwn s THR 102 CO 0.65 0.49 0.45 -0.22 -0.54 0.00 0.00 174.62 175.45 3jwn s LEU 103 N -1.14 4.92 -0.14 4.79 2.96 -1.26 -5.07 118.68 123.74 3jwn s LEU 103 Ca 0.15 -0.74 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3jwn s LEU 103 Cb -0.11 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 3jwn s LEU 103 CO 0.05 -0.61 0.03 -1.58 -1.32 0.00 0.00 176.35 172.92 3jwn s GLN 104 N 2.14 3.58 0.04 1.98 0.74 -1.26 -5.11 119.66 121.78 3jwn s GLN 104 Ca 0.12 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.16 3jwn s GLN 104 Cb -0.18 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.86 3jwn s GLN 104 CO 0.13 0.44 0.10 -0.51 -0.55 0.00 0.00 175.29 174.90 3jwn s LEU 105 N -0.13 3.94 0.07 3.68 1.43 -1.26 -5.10 118.68 121.31 3jwn s LEU 105 Ca 0.06 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3jwn s LEU 105 Cb -0.12 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3jwn s LEU 105 CO 0.02 0.21 0.03 0.00 0.23 0.00 0.00 176.35 176.84 3jwn s ALA 106 N -1.33 3.40 -0.15 4.21 0.00 -1.26 -4.47 121.76 122.16 3jwn s ALA 106 Ca 0.28 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 3jwn s ALA 106 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3jwn s ALA 106 CO 0.20 0.71 -0.09 0.42 0.00 0.00 0.00 175.76 177.00 3jwn s ILE 107 N -1.31 3.31 -0.22 0.00 -1.09 -0.21 -4.95 121.20 116.74 3jwn s ILE 107 Ca 0.26 -0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 58.07 3jwn s ILE 107 Cb -0.12 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3jwn s ILE 107 CO 0.19 0.50 0.01 -0.63 -1.23 0.00 0.00 174.94 173.78 3jwn s ILE 108 N 0.57 3.98 -0.19 2.92 1.01 -1.26 0.10 121.20 128.33 3jwn s ILE 108 Ca -0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3jwn s ILE 108 Cb -0.15 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3jwn s ILE 108 CO 0.03 0.40 0.15 -0.44 0.00 0.00 0.00 174.94 175.08 3jwn s SER 109 N 1.22 6.24 -0.11 3.58 0.01 -0.32 -4.95 113.70 119.36 3jwn s SER 109 Ca 0.03 0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 3jwn s SER 109 Cb -0.15 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.01 3jwn s SER 109 CO 0.01 0.18 -0.08 -0.60 0.41 0.00 0.00 173.24 173.16 3jwn s ARG 110 N 0.31 1.56 0.10 12.44 3.52 -1.26 -1.24 118.95 134.39 3jwn s ARG 110 Ca 0.09 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3jwn s ARG 110 Cb -0.11 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.66 3jwn s ARG 110 CO -0.01 -0.23 -0.13 0.96 -0.81 0.00 0.00 175.30 175.08 3jwn s ILE 111 N 1.58 1.15 0.28 4.11 -4.36 -0.32 -4.98 121.20 118.66 3jwn s ILE 111 Ca 0.03 -1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 58.52 3jwn s ILE 111 Cb -0.13 -1.37 -0.10 0.00 1.25 0.00 0.00 42.46 42.11 3jwn s ILE 111 CO -0.07 -0.42 1.30 -0.54 0.24 0.00 0.00 174.94 175.45 3jwn s LYS 112 N -2.51 4.39 -0.31 0.37 1.02 -1.26 -0.55 119.74 120.90 3jwn s LYS 112 Ca 0.05 2.13 0.03 0.00 0.02 0.00 0.00 55.97 58.21 3jwn s LYS 112 Cb -0.05 -3.12 0.09 0.00 -0.52 0.00 0.00 37.83 34.22 3jwn s LYS 112 CO 0.02 -0.19 0.00 -1.17 -0.92 0.00 0.00 175.35 173.09 3jwn s LEU 113 N -1.12 3.98 -0.22 3.17 2.96 0.45 -0.89 118.68 127.01 3jwn s LEU 113 Ca 0.52 -1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 52.43 3jwn s LEU 113 Cb -0.38 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3jwn s LEU 113 CO 0.46 -0.32 0.54 -0.31 -1.32 0.00 0.00 176.35 175.41 3jwn s TYR 114 N 1.06 3.34 -0.29 5.38 2.02 0.01 -0.32 117.35 128.56 3jwn s TYR 114 Ca 0.04 0.77 -0.23 0.00 -0.37 0.00 0.00 57.07 57.28 3jwn s TYR 114 Cb -0.19 -2.72 -0.00 0.00 -0.40 0.00 0.00 41.96 38.65 3jwn s TYR 114 CO -0.08 -0.18 0.75 -0.47 -1.57 0.00 0.00 175.55 174.00 3jwn s TYR 115 N 1.92 3.23 -0.29 2.71 5.04 -0.06 0.00 117.35 129.90 3jwn s TYR 115 Ca 0.24 0.84 -0.06 0.00 -2.44 0.00 0.00 57.07 55.66 3jwn s TYR 115 Cb -0.16 -3.11 0.02 0.00 0.35 0.00 0.00 41.96 39.06 3jwn s TYR 115 CO 0.09 -0.49 0.05 0.50 -1.34 0.00 0.00 175.55 174.36 3jwn s ARG 116 N 2.83 2.99 0.76 4.97 3.52 0.11 -1.77 118.95 132.36 3jwn s ARG 116 Ca 0.31 -0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 3jwn s ARG 116 Cb -0.15 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.00 3jwn s ARG 116 CO 0.11 -0.46 1.10 -2.14 -0.81 0.00 0.00 175.30 173.10 3jwn s PRO 117 N 1.45 2.30 0.70 5.12 0.02 -1.26 0.04 135.00 143.38 3jwn s PRO 117 Ca 0.02 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 3jwn s PRO 117 Cb -0.17 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.46 3jwn s PRO 117 CO 0.01 -1.62 1.06 0.00 -0.33 0.00 0.00 177.00 176.13 3jwn s ALA 118 N -2.77 2.66 -1.18 -1.55 0.00 -1.26 -4.44 121.76 113.22 3jwn s ALA 118 Ca 0.63 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 3jwn s ALA 118 Cb -0.18 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3jwn s ALA 118 CO 0.53 -1.25 0.91 1.63 0.00 0.00 0.00 175.76 177.59 3jwn n LYS 119 N -3.14 -4.91 -3.43 0.00 5.02 -1.26 -5.00 118.16 105.45 3jwn n LYS 119 Ca 0.07 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.79 3jwn n LYS 119 Cb 0.54 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 3jwn n LYS 119 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jwn s LEU 120 N -6.18 4.44 0.02 -0.35 1.43 -1.26 -5.03 118.68 111.74 3jwn s LEU 120 Ca 0.14 1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 54.04 3jwn s LEU 120 Cb -0.02 -2.88 -0.13 0.00 0.03 0.00 0.00 46.19 43.18 3jwn s LEU 120 CO 0.75 0.24 1.13 0.00 0.23 0.00 0.00 176.35 178.70 3jwn h ALA 121 N 4.24 -1.00 -2.51 4.21 0.00 -1.96 -3.43 119.26 118.81 3jwn h ALA 121 Ca -0.50 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 3jwn h ALA 121 Cb 1.21 0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.34 3jwn h ALA 121 CO 0.64 -0.94 0.58 -1.17 0.00 0.00 0.00 179.25 178.36 3jwn s LEU 122 N -8.57 4.38 0.77 0.00 2.96 -1.26 -5.04 118.68 111.92 3jwn s LEU 122 Ca -0.12 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 55.75 3jwn s LEU 122 Cb 0.01 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.17 3jwn s LEU 122 CO 0.37 -0.48 1.08 -2.84 -1.32 0.00 0.00 176.35 173.17 3jwn s PRO 123 N 0.92 2.30 0.12 0.98 0.02 -1.26 -4.99 135.00 133.09 3jwn s PRO 123 Ca 0.59 0.83 -0.19 0.00 0.02 0.00 0.00 61.00 62.25 3jwn s PRO 123 Cb -0.31 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 3jwn s PRO 123 CO 0.30 -1.52 1.74 -1.35 -0.33 0.00 0.00 177.00 175.85 3jwn h PRO 124 N -1.02 0.37 -0.71 5.54 0.11 -1.98 -2.98 132.00 131.32 3jwn h PRO 124 Ca -0.46 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 65.77 3jwn h PRO 124 Cb 1.25 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3jwn h PRO 124 CO 0.57 0.30 0.48 0.38 -0.21 0.00 0.00 178.00 179.52 3jwn h ASP 125 N 0.34 0.32 -0.16 -2.05 2.03 -2.05 -1.02 116.42 113.82 3jwn h ASP 125 Ca 0.10 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 3jwn h ASP 125 Cb 0.03 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 3jwn h ASP 125 CO -0.02 0.17 0.00 0.00 -1.03 0.00 0.00 179.24 178.36 3jwn n GLN 126 N -4.46 1.68 0.06 4.15 6.02 -1.13 -4.08 117.38 119.62 3jwn n GLN 126 Ca 0.13 -1.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.03 3jwn n GLN 126 Cb 0.54 -1.38 -0.12 0.00 1.02 0.00 0.00 30.24 30.30 3jwn n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jwn h ALA 127 N 4.00 0.35 -0.33 -1.58 0.00 -1.21 -3.35 119.26 117.15 3jwn h ALA 127 Ca 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 3jwn h ALA 127 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3jwn h ALA 127 CO 0.00 1.24 0.09 0.00 0.00 0.00 0.00 179.25 180.58 3jwn h ALA 128 N 1.00 0.43 0.00 0.00 0.00 -1.73 -3.01 119.26 115.95 3jwn h ALA 128 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jwn h ALA 128 Cb 1.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3jwn h ALA 128 CO 0.13 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.62 3jwn n GLU 129 N -4.65 0.08 0.00 0.00 0.28 -1.26 -2.71 120.64 112.38 3jwn n GLU 129 Ca -0.02 0.21 0.14 0.00 -0.16 0.00 0.00 57.16 57.33 3jwn n GLU 129 Cb 0.18 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.06 3jwn n GLU 129 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3jwn n LYS 130 N -1.42 1.14 -2.20 3.44 4.76 -1.14 -4.92 118.16 117.83 3jwn n LYS 130 Ca 0.05 -0.61 -0.42 0.00 -2.87 0.00 0.00 58.31 54.47 3jwn n LYS 130 Cb 0.15 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 3jwn n LYS 130 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3jwn s LEU 131 N -2.27 4.40 0.24 -0.35 2.96 -1.10 -4.65 118.68 117.91 3jwn s LEU 131 Ca 0.32 2.38 0.08 0.00 -0.22 0.00 0.00 54.13 56.69 3jwn s LEU 131 Cb 0.20 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.24 3jwn s LEU 131 CO 0.43 -0.57 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.64 3jwn s ARG 132 N 0.24 1.45 0.34 1.98 1.81 -0.92 -4.55 118.95 119.30 3jwn s ARG 132 Ca 0.59 -1.68 0.05 0.00 -1.72 0.00 0.00 55.73 52.97 3jwn s ARG 132 Cb -0.37 -1.24 -0.07 0.00 -0.45 0.00 0.00 34.95 32.83 3jwn s ARG 132 CO 0.36 0.17 0.04 -0.06 -0.68 0.00 0.00 175.30 175.12 3jwn s PHE 133 N -2.91 2.10 -0.37 -0.53 0.08 -0.98 -0.58 117.98 114.79 3jwn s PHE 133 Ca 0.26 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.48 3jwn s PHE 133 Cb -0.00 -1.39 0.16 0.00 -0.57 0.00 0.00 43.02 41.23 3jwn s PHE 133 CO 0.10 0.13 0.45 0.50 -0.10 0.00 0.00 175.22 176.30 3jwn s ARG 134 N -3.84 0.65 -0.29 0.44 3.52 -0.73 -2.83 118.95 115.88 3jwn s ARG 134 Ca 0.36 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.17 3jwn s ARG 134 Cb 0.09 -0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.07 3jwn s ARG 134 CO 0.16 -1.16 1.03 0.50 -0.81 0.00 0.00 175.30 175.01 3jwn s ARG 135 N 1.76 4.12 -0.18 5.12 3.52 -1.26 -2.70 118.95 129.33 3jwn s ARG 135 Ca 0.15 1.12 -0.28 0.00 -0.13 0.00 0.00 55.73 56.59 3jwn s ARG 135 Cb -0.12 -3.70 0.10 0.00 -1.56 0.00 0.00 34.95 29.67 3jwn s ARG 135 CO -0.09 -0.78 0.88 -1.54 -0.81 0.00 0.00 175.30 172.96 3jwn s SER 136 N 1.49 -0.52 0.89 -2.12 1.04 -1.14 -5.07 113.70 108.27 3jwn s SER 136 Ca 0.43 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.62 3jwn s SER 136 Cb -0.13 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3jwn s SER 136 CO 0.12 -0.35 0.00 0.00 0.98 0.00 0.00 173.24 173.99 3jwn n ALA 137 N 1.43 0.00 -2.89 5.32 0.00 -1.26 -2.11 120.51 120.99 3jwn n ALA 137 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3jwn n ALA 137 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 3jwn n ALA 137 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jwn n ASN 138 N -0.07 6.19 -3.77 0.00 4.13 -1.26 -4.78 115.26 115.70 3jwn n ASN 138 Ca 0.00 -3.58 -0.06 0.00 1.68 0.00 0.00 54.58 52.63 3jwn n ASN 138 Cb 0.00 -1.04 -0.02 0.00 -1.54 0.00 0.00 39.78 37.18 3jwn n ASN 138 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3jwn s SER 139 N -1.97 -0.24 -0.19 6.41 1.04 -0.90 -3.16 113.70 114.69 3jwn s SER 139 Ca 0.38 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 3jwn s SER 139 Cb 0.16 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.97 3jwn s SER 139 CO -0.04 -1.09 0.28 -0.22 0.98 0.00 0.00 173.24 173.15 3jwn s LEU 140 N -2.90 -0.31 0.07 2.42 2.96 -0.89 -2.88 118.68 117.16 3jwn s LEU 140 Ca 0.11 0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 3jwn s LEU 140 Cb -0.03 0.69 -0.06 0.00 0.50 0.00 0.00 46.19 47.28 3jwn s LEU 140 CO 0.03 -0.29 0.67 -0.89 -1.32 0.00 0.00 176.35 174.55 3jwn s THR 141 N 2.42 4.67 -0.19 3.68 2.01 -1.10 -1.70 115.64 125.43 3jwn s THR 141 Ca 0.06 1.45 -0.05 0.00 0.31 0.00 0.00 61.69 63.46 3jwn s THR 141 Cb -0.14 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3jwn s THR 141 CO -0.12 0.47 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 3jwn s LEU 142 N -0.68 3.28 -0.15 4.42 1.02 0.19 -1.77 118.68 124.98 3jwn s LEU 142 Ca 0.33 -0.17 -0.05 0.00 0.02 0.00 0.00 54.13 54.26 3jwn s LEU 142 Cb -0.20 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 3jwn s LEU 142 CO 0.21 0.09 0.01 -0.63 0.02 0.00 0.00 176.35 176.06 3jwn s ILE 143 N 0.82 4.34 -0.34 -0.59 1.01 0.25 -1.48 121.20 125.21 3jwn s ILE 143 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3jwn s ILE 143 Cb -0.14 -2.90 0.10 0.00 0.01 0.00 0.00 42.46 39.53 3jwn s ILE 143 CO 0.02 0.51 0.09 0.21 0.00 0.00 0.00 174.94 175.77 3jwn s ASN 144 N 0.01 4.38 0.00 3.58 3.84 -0.48 -2.16 114.94 124.11 3jwn s ASN 144 Ca 0.03 -2.00 0.30 0.00 0.21 0.00 0.00 52.86 51.40 3jwn s ASN 144 Cb -0.13 -1.27 1.52 0.00 -0.55 0.00 0.00 41.25 40.82 3jwn s ASN 144 CO 0.02 -0.38 2.03 -0.81 -2.79 0.00 0.00 177.10 175.17 3jwn n PRO 145 N 4.42 0.65 -1.97 0.43 -0.04 -1.26 -1.30 135.00 135.92 3jwn n PRO 145 Ca 0.02 -0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 3jwn n PRO 145 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3jwn n PRO 145 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3jwn s THR 146 N -2.41 3.75 -1.46 0.52 -4.23 -1.26 -4.56 115.64 106.00 3jwn s THR 146 Ca 0.33 0.47 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 3jwn s THR 146 Cb 0.21 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.67 3jwn s THR 146 CO 0.44 -0.70 0.97 -0.81 -0.54 0.00 0.00 174.62 173.98 3jwn n PRO 147 N -2.89 1.63 -4.75 3.99 -0.04 -1.26 -1.27 135.00 130.42 3jwn n PRO 147 Ca 0.06 -0.67 -0.32 0.00 -0.04 0.00 0.00 63.50 62.53 3jwn n PRO 147 Cb 0.57 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 3jwn n PRO 147 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3jwn s TYR 148 N -1.60 2.73 -0.05 0.54 2.02 -1.26 -0.79 117.35 118.94 3jwn s TYR 148 Ca 0.12 -0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 3jwn s TYR 148 Cb 0.08 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 3jwn s TYR 148 CO 0.06 0.25 1.61 0.71 -1.57 0.00 0.00 175.55 176.61 3jwn s TYR 149 N -0.83 2.12 -0.28 2.71 2.02 -1.26 -4.03 117.35 117.81 3jwn s TYR 149 Ca 0.13 0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 57.00 3jwn s TYR 149 Cb -0.11 -3.88 -0.05 0.00 -0.40 0.00 0.00 41.96 37.53 3jwn s TYR 149 CO 0.03 -3.64 0.22 -0.51 -1.57 0.00 0.00 175.55 170.08 3jwn s LEU 150 N 3.78 4.03 -0.89 -1.29 1.43 -0.74 -4.98 118.68 120.01 3jwn s LEU 150 Ca 0.72 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.70 3jwn s LEU 150 Cb -0.33 -2.18 0.16 0.00 0.03 0.00 0.00 46.19 43.87 3jwn s LEU 150 CO 0.29 -0.07 1.00 -0.89 0.23 0.00 0.00 176.35 176.91 3jwn s THR 151 N 1.78 5.01 0.04 5.49 2.01 -1.26 -1.04 115.64 127.67 3jwn s THR 151 Ca 0.09 -1.85 -0.29 0.00 0.31 0.00 0.00 61.69 59.95 3jwn s THR 151 Cb -0.16 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.64 3jwn s THR 151 CO 0.10 -1.35 0.93 -0.69 -0.69 0.00 0.00 174.62 172.93 3jwn s VAL 152 N 1.88 4.75 0.08 3.82 1.01 0.63 -2.38 120.40 130.19 3jwn s VAL 152 Ca 0.28 1.98 -0.05 0.00 0.00 0.00 0.00 61.98 64.18 3jwn s VAL 152 Cb -0.07 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3jwn s VAL 152 CO -0.09 0.24 0.10 0.28 0.00 0.00 0.00 175.10 175.63 3jwn s THR 153 N 0.56 0.17 -1.19 3.92 -1.32 0.11 -1.08 115.64 116.82 3jwn s THR 153 Ca 0.48 -1.46 -0.12 0.00 -1.21 0.00 0.00 61.69 59.38 3jwn s THR 153 Cb -0.21 -1.45 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3jwn s THR 153 CO 0.27 -0.78 0.75 -0.62 -2.21 0.00 0.00 174.62 172.04 3jwn n GLU 154 N 0.00 -2.37 -3.04 7.08 1.02 -1.26 -0.94 120.64 121.14 3jwn n GLU 154 Ca -0.14 0.54 -0.44 0.00 -0.02 0.00 0.00 57.16 57.11 3jwn n GLU 154 Cb 0.62 -4.63 -0.05 0.00 -0.02 0.00 0.00 31.44 27.36 3jwn n GLU 154 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3jwn s LEU 155 N -6.42 4.80 -0.36 -4.62 2.96 -1.26 -4.07 118.68 109.71 3jwn s LEU 155 Ca 0.32 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 3jwn s LEU 155 Cb -0.10 -2.48 0.04 0.00 0.50 0.00 0.00 46.19 44.14 3jwn s LEU 155 CO 0.84 -1.10 0.16 0.20 -1.32 0.00 0.00 176.35 175.12 3jwn s ASN 156 N 3.10 5.52 -1.24 3.68 -0.87 0.05 0.43 114.94 125.62 3jwn s ASN 156 Ca 0.18 -1.09 -0.18 0.00 -1.57 0.00 0.00 52.86 50.20 3jwn s ASN 156 Cb -0.19 -1.94 0.08 0.00 -0.02 0.00 0.00 41.25 39.18 3jwn s ASN 156 CO 0.12 -0.36 1.64 0.00 -2.57 0.00 0.00 177.10 175.92 3jwn s ALA 157 N 1.47 3.34 0.00 0.60 0.00 0.54 -1.87 121.76 125.84 3jwn s ALA 157 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 51.96 49.07 3jwn s ALA 157 Cb -0.19 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.39 3jwn s ALA 157 CO 0.05 -3.25 0.00 0.41 0.00 0.00 0.00 175.76 172.96 3jwn n GLY 158 N 5.41 1.92 0.06 0.00 0.00 0.46 -2.83 105.19 110.21 3jwn n GLY 158 Ca 0.44 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3jwn n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jwn n THR 159 N 0.00 0.51 -2.05 2.61 -2.24 -1.26 -4.86 114.28 106.99 3jwn n THR 159 Ca 0.00 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 3jwn n THR 159 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3jwn n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3jwn s ARG 160 N -3.27 3.44 -0.43 -0.78 1.81 -1.13 -4.96 118.95 113.62 3jwn s ARG 160 Ca -0.05 1.42 -0.26 0.00 -1.72 0.00 0.00 55.73 55.11 3jwn s ARG 160 Cb 0.11 -4.15 0.02 0.00 -0.45 0.00 0.00 34.95 30.48 3jwn s ARG 160 CO 0.85 -1.73 0.97 0.08 -0.68 0.00 0.00 175.30 174.79 3jwn s VAL 161 N 6.46 4.46 0.89 3.52 1.01 -1.26 -0.34 120.40 135.14 3jwn s VAL 161 Ca 0.77 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 3jwn s VAL 161 Cb -0.22 -4.43 0.17 0.00 0.00 0.00 0.00 36.38 31.90 3jwn s VAL 161 CO 0.33 -0.76 1.23 -0.76 0.00 0.00 0.00 175.10 175.15 3jwn s LEU 162 N 3.79 2.77 0.79 3.92 1.43 0.17 -4.98 118.68 126.57 3jwn s LEU 162 Ca 0.40 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3jwn s LEU 162 Cb -0.10 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.90 3jwn s LEU 162 CO 0.24 -2.47 1.10 -1.61 0.23 0.00 0.00 176.35 173.85 3jwn s GLU 163 N -5.68 2.09 0.72 1.70 2.02 -1.26 -4.39 118.70 113.91 3jwn s GLU 163 Ca 0.71 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.82 3jwn s GLU 163 Cb -0.05 -1.87 0.03 0.00 0.10 0.00 0.00 34.13 32.34 3jwn s GLU 163 CO 0.51 -1.77 1.08 -0.80 0.02 0.00 0.00 175.26 174.29 3jwn s ASN 164 N -3.29 4.97 0.01 -0.19 0.01 -1.26 -4.65 114.94 110.55 3jwn s ASN 164 Ca 0.62 1.74 -0.05 0.00 -0.71 0.00 0.00 52.86 54.46 3jwn s ASN 164 Cb -0.18 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3jwn s ASN 164 CO 0.56 -1.72 0.09 0.00 -1.51 0.00 0.00 177.10 174.52 3jwn s ALA 165 N -2.91 -0.19 -0.45 0.60 0.00 -0.24 -5.03 121.76 113.54 3jwn s ALA 165 Ca 0.60 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.30 3jwn s ALA 165 Cb -0.16 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.22 3jwn s ALA 165 CO 0.54 -0.21 0.18 -1.17 0.00 0.00 0.00 175.76 175.10 3jwn s LEU 166 N -1.50 4.57 -0.32 0.00 2.96 -1.26 -0.27 118.68 122.86 3jwn s LEU 166 Ca -0.14 -2.63 -0.25 0.00 -0.22 0.00 0.00 54.13 50.89 3jwn s LEU 166 Cb -0.07 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.97 3jwn s LEU 166 CO 0.00 -0.31 0.88 -0.69 -1.32 0.00 0.00 176.35 174.91 3jwn s VAL 167 N 0.25 4.69 1.01 1.68 1.01 -0.21 -4.93 120.40 123.91 3jwn s VAL 167 Ca 0.14 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 3jwn s VAL 167 Cb -0.23 -4.24 0.20 0.00 0.00 0.00 0.00 36.38 32.11 3jwn s VAL 167 CO -0.04 -0.35 1.09 -2.84 0.00 0.00 0.00 175.10 172.96 3jwn s PRO 168 N 3.20 0.30 0.29 2.72 0.02 -1.26 -1.79 135.00 138.48 3jwn s PRO 168 Ca 0.36 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.25 3jwn s PRO 168 Cb -0.13 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.62 3jwn s PRO 168 CO 0.14 -3.00 1.16 -1.25 -0.33 0.00 0.00 177.00 173.73 3jwn s PRO 169 N -4.62 4.55 -1.40 5.54 0.04 -1.26 -3.17 135.00 134.68 3jwn s PRO 169 Ca 0.67 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 3jwn s PRO 169 Cb -0.23 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.22 3jwn s PRO 169 CO 0.60 0.09 0.62 -1.33 0.04 0.00 0.00 177.00 177.02 3jwn n MET 170 N 1.13 -4.12 -1.13 4.56 2.81 -0.40 -4.90 117.12 115.08 3jwn n MET 170 Ca -0.01 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 3jwn n MET 170 Cb 0.44 -5.36 0.00 0.00 -0.71 0.00 0.00 33.22 27.59 3jwn n MET 170 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jwn n GLY 171 N -1.35 3.50 3.28 3.03 0.00 -0.98 -4.99 105.19 107.68 3jwn n GLY 171 Ca -0.02 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 3jwn n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jwn s GLU 172 N -1.14 1.21 -0.23 1.61 2.02 -1.26 -1.38 118.70 119.54 3jwn s GLU 172 Ca 0.00 -1.60 -0.15 0.00 0.02 0.00 0.00 54.97 53.24 3jwn s GLU 172 Cb 0.00 -0.40 0.07 0.00 0.10 0.00 0.00 34.13 33.90 3jwn s GLU 172 CO 0.00 -0.13 0.57 0.45 0.02 0.00 0.00 175.26 176.17 3jwn s SER 173 N -3.23 -0.73 -0.07 -0.19 0.15 -0.55 -4.51 113.70 104.57 3jwn s SER 173 Ca 0.26 1.23 0.02 0.00 0.70 0.00 0.00 55.95 58.17 3jwn s SER 173 Cb 0.06 1.13 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 3jwn s SER 173 CO 0.06 -0.22 -0.13 0.42 1.20 0.00 0.00 173.24 174.58 3jwn s THR 174 N 1.27 3.18 0.33 6.45 -4.23 -1.26 0.54 115.64 121.92 3jwn s THR 174 Ca -0.08 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 3jwn s THR 174 Cb -0.06 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 3jwn s THR 174 CO -0.13 0.58 -0.05 0.68 -0.54 0.00 0.00 174.62 175.16 3jwn s VAL 175 N -0.54 1.91 0.36 2.29 -7.23 -0.69 -4.98 120.40 111.53 3jwn s VAL 175 Ca 0.07 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.85 3jwn s VAL 175 Cb -0.12 -2.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 3jwn s VAL 175 CO 0.02 -0.18 1.14 -0.75 -0.31 0.00 0.00 175.10 175.01 3jwn s LYS 176 N -3.69 4.27 -0.09 4.82 2.36 -1.26 -2.09 119.74 124.05 3jwn s LYS 176 Ca 0.32 1.80 -0.04 0.00 -2.55 0.00 0.00 55.97 55.50 3jwn s LYS 176 Cb 0.05 -2.83 0.05 0.00 -1.05 0.00 0.00 37.83 34.05 3jwn s LYS 176 CO 0.15 -0.12 0.18 -1.17 1.55 0.00 0.00 175.35 175.94 3jwn s LEU 177 N -2.17 -0.12 -0.08 5.43 2.96 -1.19 -4.75 118.68 118.76 3jwn s LEU 177 Ca 0.53 0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 54.57 3jwn s LEU 177 Cb -0.30 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 3jwn s LEU 177 CO 0.38 -0.24 0.85 -2.16 -1.32 0.00 0.00 176.35 173.86 3jwn s PRO 178 N 2.31 4.44 0.25 0.98 0.04 -1.26 -3.64 135.00 138.11 3jwn s PRO 178 Ca 0.03 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.17 3jwn s PRO 178 Cb -0.12 -3.49 0.30 0.00 0.04 0.00 0.00 34.50 31.22 3jwn s PRO 178 CO -0.06 -0.11 1.71 0.77 0.04 0.00 0.00 177.00 179.35 3jwn h SER 179 N 6.95 0.73 -0.17 6.66 0.02 -1.95 -3.31 113.55 122.48 3jwn h SER 179 Ca -0.37 -0.21 -0.55 0.00 -0.84 0.00 0.00 61.79 59.82 3jwn h SER 179 Cb 1.18 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.54 3jwn h SER 179 CO 0.78 0.87 1.89 -0.90 -1.14 0.00 0.00 176.83 178.33 3jwn n ASP 180 N -4.17 2.75 -1.01 3.07 5.75 -1.26 -4.77 116.55 116.91 3jwn n ASP 180 Ca 0.01 -2.69 -0.00 0.00 -0.01 0.00 0.00 54.79 52.10 3jwn n ASP 180 Cb 0.36 -1.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 3jwn n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jwn n ALA 181 N 9.82 -0.01 -0.97 2.12 0.00 -1.25 -5.12 120.51 125.11 3jwn n ALA 181 Ca 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.84 3jwn n ALA 181 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.98 3jwn n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jwn n GLY 182 N -0.00 -2.80 0.70 0.00 0.00 -1.13 -5.01 105.19 96.96 3jwn n GLY 182 Ca -0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 3jwn n GLY 182 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3jwn n SER 183 N -3.79 0.71 -4.83 1.61 2.88 -1.25 -4.53 113.62 104.43 3jwn n SER 183 Ca 0.06 0.10 -0.36 0.00 -1.33 0.00 0.00 58.87 57.35 3jwn n SER 183 Cb 0.23 -0.32 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 3jwn n SER 183 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3jwn s ASN 184 N -5.34 6.94 -0.13 -3.46 3.04 -1.26 -4.37 114.94 110.36 3jwn s ASN 184 Ca -0.05 1.26 -0.10 0.00 0.04 0.00 0.00 52.86 54.01 3jwn s ASN 184 Cb 0.01 -2.36 -0.05 0.00 -1.54 0.00 0.00 41.25 37.31 3jwn s ASN 184 CO 0.07 0.05 0.21 -0.63 -3.04 0.00 0.00 177.10 173.77 3jwn s ILE 185 N -1.52 5.37 0.01 -5.21 1.01 -1.26 0.17 121.20 119.78 3jwn s ILE 185 Ca 0.41 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 3jwn s ILE 185 Cb -0.16 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 3jwn s ILE 185 CO 0.20 0.52 0.00 0.42 0.00 0.00 0.00 174.94 176.09 3jwn s THR 186 N -0.39 0.08 0.22 2.92 -4.23 -0.78 -0.22 115.64 113.24 3jwn s THR 186 Ca 0.15 -0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 59.88 3jwn s THR 186 Cb -0.13 -0.23 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 3jwn s THR 186 CO 0.04 -0.37 0.39 -0.72 -0.54 0.00 0.00 174.62 173.42 3jwn s TYR 187 N -1.12 0.48 0.11 3.99 -0.85 -0.98 -0.77 117.35 118.21 3jwn s TYR 187 Ca -0.12 -0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 55.57 3jwn s TYR 187 Cb -0.08 0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 3jwn s TYR 187 CO -0.00 -0.89 0.09 1.03 -1.52 0.00 0.00 175.55 174.26 3jwn s ARG 188 N -4.03 0.87 0.16 -3.49 0.52 -0.11 -1.70 118.95 111.17 3jwn s ARG 188 Ca 0.24 -1.25 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 3jwn s ARG 188 Cb 0.01 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 3jwn s ARG 188 CO 0.07 -0.25 -0.13 0.95 0.02 0.00 0.00 175.30 175.97 3jwn s THR 189 N -3.97 1.45 -0.32 0.02 -4.23 -1.26 0.10 115.64 107.42 3jwn s THR 189 Ca 0.15 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 3jwn s THR 189 Cb 0.06 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 3jwn s THR 189 CO -0.04 -0.58 0.36 -0.63 -0.54 0.00 0.00 174.62 173.19 3jwn s ILE 190 N -2.80 5.17 0.00 2.99 -1.09 -1.00 -0.91 121.20 123.57 3jwn s ILE 190 Ca 0.16 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 3jwn s ILE 190 Cb -0.01 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 3jwn s ILE 190 CO 0.04 -0.01 0.00 -0.46 -1.23 0.00 0.00 174.94 173.27 3jwn n ASN 191 N 5.36 -0.12 0.28 3.58 0.23 -0.54 -4.61 115.26 119.43 3jwn n ASN 191 Ca -0.09 -0.91 0.15 0.00 -0.53 0.00 0.00 54.58 53.20 3jwn n ASN 191 Cb 0.50 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.00 3jwn n ASN 191 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3jwn h ASP 192 N -0.12 0.00 -0.46 0.53 3.32 -1.98 -2.82 116.42 114.88 3jwn h ASP 192 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jwn h ASP 192 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3jwn h ASP 192 CO 0.00 0.08 0.00 -1.22 -1.72 0.00 0.00 179.24 176.38 3jwn n TYR 193 N -3.48 0.61 -0.28 4.55 4.01 -1.26 -4.83 117.16 116.48 3jwn n TYR 193 Ca -0.02 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 3jwn n TYR 193 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3jwn n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jwn n GLY 194 N 1.04 0.95 3.87 2.72 0.00 -1.06 -4.91 105.19 107.80 3jwn n GLY 194 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3jwn n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwn s ALA 195 N -2.73 3.43 0.04 4.61 0.00 -1.26 -4.76 121.76 121.09 3jwn s ALA 195 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 3jwn s ALA 195 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3jwn s ALA 195 CO 0.00 0.27 1.00 -0.51 0.00 0.00 0.00 175.76 176.52 3jwn s LEU 196 N -3.26 4.41 0.63 0.00 1.43 -1.26 -1.47 118.68 119.16 3jwn s LEU 196 Ca 0.50 1.75 -0.13 0.00 -1.03 0.00 0.00 54.13 55.22 3jwn s LEU 196 Cb -0.11 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 3jwn s LEU 196 CO 0.24 -0.23 1.05 0.42 0.23 0.00 0.00 176.35 178.05 3jwn s THR 197 N 0.70 4.08 0.92 5.49 -4.23 -0.09 -4.96 115.64 117.55 3jwn s THR 197 Ca 0.51 0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 61.75 3jwn s THR 197 Cb -0.23 -3.48 0.15 0.00 1.34 0.00 0.00 72.50 70.28 3jwn s THR 197 CO 0.29 -0.73 1.15 -2.16 -0.54 0.00 0.00 174.62 172.63 3jwn s PRO 198 N -4.57 0.99 0.21 3.99 0.04 -1.26 -4.38 135.00 130.02 3jwn s PRO 198 Ca 0.60 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3jwn s PRO 198 Cb -0.14 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 3jwn s PRO 198 CO 0.45 -2.66 1.40 0.21 0.04 0.00 0.00 177.00 176.45 3jwn s LYS 199 N -4.65 4.31 0.06 4.56 2.20 -1.26 -4.74 119.74 120.22 3jwn s LYS 199 Ca 0.67 2.20 0.08 0.00 -0.36 0.00 0.00 55.97 58.56 3jwn s LYS 199 Cb -0.23 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3jwn s LYS 199 CO 0.58 -0.39 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.31 3jwn s MET 200 N 0.03 1.50 0.04 4.03 -1.94 -0.69 -4.97 119.30 117.29 3jwn s MET 200 Ca 0.60 -1.05 -0.30 0.00 -1.71 0.00 0.00 55.69 53.23 3jwn s MET 200 Cb -0.40 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 3jwn s MET 200 CO 0.39 0.42 1.06 0.99 -0.01 0.00 0.00 175.02 177.87 3jwn s THR 201 N -0.85 4.50 -0.52 2.05 2.01 -1.26 -2.32 115.64 119.25 3jwn s THR 201 Ca 0.09 1.83 -0.27 0.00 0.31 0.00 0.00 61.69 63.65 3jwn s THR 201 Cb -0.09 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 3jwn s THR 201 CO 0.02 0.16 1.76 -0.83 -0.69 0.00 0.00 174.62 175.05 3jwn s GLY 202 N 0.88 0.50 -0.06 4.40 0.00 0.70 -4.97 107.32 108.78 3jwn s GLY 202 Ca 0.54 -0.38 -0.25 0.00 0.00 0.00 0.00 44.72 44.62 3jwn s GLY 202 CO 0.29 3.26 0.76 0.14 0.00 0.00 0.00 173.10 177.56 3jwn s VAL 203 N 7.90 5.00 0.21 1.40 1.01 -1.26 -4.69 120.40 129.98 3jwn s VAL 203 Ca 0.68 1.58 0.06 0.00 0.00 0.00 0.00 61.98 64.30 3jwn s VAL 203 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3jwn s VAL 203 CO 0.25 0.22 0.15 -0.32 0.00 0.00 0.00 175.10 175.40 3jwn s MET 204 N 0.92 2.86 0.00 2.72 1.75 -1.26 -2.33 119.30 123.96 3jwn s MET 204 Ca 0.40 -0.99 0.00 0.00 -1.25 0.00 0.00 55.69 53.85 3jwn s MET 204 Cb -0.18 -2.57 0.00 0.00 2.84 0.00 0.00 34.83 34.92 3jwn s MET 204 CO 0.20 0.44 0.00 -1.91 -0.65 0.00 0.00 175.02 173.10