#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 -0.69 -0.16 1.61 1.04 -1.26 -5.15 113.70 109.09 1wh0 s SER 2 Ca 0.00 1.29 -0.01 0.00 0.48 0.00 0.00 55.95 57.71 1wh0 s SER 2 Cb 0.00 1.31 0.04 0.00 0.10 0.00 0.00 66.02 67.47 1wh0 s SER 2 CO 0.00 -0.22 -0.04 -0.94 0.98 0.00 0.00 173.24 173.02 1wh0 s SER 3 N 0.50 2.70 0.00 7.02 1.04 -1.26 -5.08 113.70 118.62 1wh0 s SER 3 Ca -0.01 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1wh0 s SER 3 Cb -0.05 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1wh0 s SER 3 CO -0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1wh0 n GLY 4 N 4.93 0.33 3.86 7.32 0.00 -1.26 -4.97 105.19 115.39 1wh0 n GLY 4 Ca -0.11 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1wh0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh0 n SER 5 N -0.81 -2.98 -3.89 1.61 2.88 -1.26 -4.96 113.62 104.22 1wh0 n SER 5 Ca 0.00 -0.83 -0.30 0.00 -1.33 0.00 0.00 58.87 56.41 1wh0 n SER 5 Cb 0.00 -3.81 0.23 0.00 -0.75 0.00 0.00 64.21 59.88 1wh0 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh0 s SER 6 N -3.79 1.52 0.00 -3.46 0.01 -1.26 -5.08 113.70 101.63 1wh0 s SER 6 Ca 0.37 0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1wh0 s SER 6 Cb -0.18 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1wh0 s SER 6 CO 0.83 -3.74 0.00 0.61 0.41 0.00 0.00 173.24 171.35 1wh0 n GLY 7 N -1.77 0.55 3.58 3.44 0.00 -1.26 -5.02 105.19 104.70 1wh0 n GLY 7 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1wh0 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wh0 n VAL 8 N 0.00 2.18 -3.97 1.61 3.14 -1.26 -5.00 118.33 115.02 1wh0 n VAL 8 Ca 0.00 -0.33 -0.30 0.00 -2.96 0.00 0.00 64.34 60.75 1wh0 n VAL 8 Cb 0.00 -0.99 -0.16 0.00 -1.06 0.00 0.00 33.84 31.63 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1wh0 s ASP 9 N -1.72 3.54 0.60 6.55 -1.08 -1.26 -5.12 116.67 118.18 1wh0 s ASP 9 Ca 0.70 -0.98 -0.18 0.00 -0.52 0.00 0.00 52.55 51.57 1wh0 s ASP 9 Cb -0.32 -1.21 -0.03 0.00 -1.46 0.00 0.00 42.92 39.90 1wh0 s ASP 9 CO 0.54 -0.18 1.16 -1.61 0.52 0.00 0.00 175.17 175.60 1wh0 s GLU 10 N 1.40 2.98 0.00 4.34 2.02 -1.26 -4.88 118.70 123.30 1wh0 s GLU 10 Ca -0.03 1.66 0.07 0.00 0.02 0.00 0.00 54.97 56.69 1wh0 s GLU 10 Cb -0.17 -1.95 0.42 0.00 0.10 0.00 0.00 34.13 32.53 1wh0 s GLU 10 CO -0.07 -1.16 0.87 -0.35 0.02 0.00 0.00 175.26 174.57 1wh0 n PRO 11 N -1.78 0.48 -0.22 0.39 -0.04 -1.26 -4.20 135.00 128.37 1wh0 n PRO 11 Ca 0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1wh0 n PRO 11 Cb 0.51 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 1wh0 n PRO 11 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wh0 n GLU 12 N -0.72 -0.23 -0.34 0.54 0.28 -1.26 0.24 120.64 119.15 1wh0 n GLU 12 Ca 0.05 0.98 0.23 0.00 -0.16 0.00 0.00 57.16 58.26 1wh0 n GLU 12 Cb 0.02 -1.44 0.49 0.00 1.43 0.00 0.00 31.44 31.94 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wh0 h SER 13 N 0.00 0.48 -4.22 -1.84 0.02 -2.00 -3.40 113.55 102.59 1wh0 h SER 13 Ca 0.08 0.11 -0.49 0.00 -0.84 0.00 0.00 61.79 60.65 1wh0 h SER 13 Cb 0.21 0.04 0.07 0.00 0.14 0.00 0.00 62.40 62.86 1wh0 h SER 13 CO -0.49 0.04 0.38 -0.04 -1.14 0.00 0.00 176.83 175.58 1wh0 s MET 14 N -5.55 3.29 -0.16 3.45 -1.94 0.67 -4.92 119.30 114.14 1wh0 s MET 14 Ca -0.09 1.15 -0.08 0.00 -1.71 0.00 0.00 55.69 54.96 1wh0 s MET 14 Cb 0.27 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1wh0 s MET 14 CO 0.80 -0.83 0.12 0.08 -0.01 0.00 0.00 175.02 175.18 1wh0 s VAL 15 N -2.56 5.32 -0.30 -6.03 1.01 -0.66 -4.97 120.40 112.21 1wh0 s VAL 15 Ca 0.62 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1wh0 s VAL 15 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1wh0 s VAL 15 CO 0.39 0.51 0.19 0.20 0.00 0.00 0.00 175.10 176.39 1wh0 s ASN 16 N -0.18 5.86 0.34 3.32 -0.87 -1.26 0.04 114.94 122.18 1wh0 s ASN 16 Ca 0.10 -0.25 -0.27 0.00 -1.57 0.00 0.00 52.86 50.87 1wh0 s ASN 16 Cb -0.12 -2.08 -0.09 0.00 -0.02 0.00 0.00 41.25 38.94 1wh0 s ASN 16 CO 0.01 -0.13 1.17 -0.76 -2.57 0.00 0.00 177.10 174.81 1wh0 s LEU 17 N 1.71 4.38 -0.22 0.60 1.43 0.24 -4.87 118.68 121.94 1wh0 s LEU 17 Ca 0.06 2.37 0.10 0.00 -1.03 0.00 0.00 54.13 55.63 1wh0 s LEU 17 Cb -0.17 -3.80 -0.21 0.00 0.03 0.00 0.00 46.19 42.05 1wh0 s LEU 17 CO 0.09 -0.43 -0.08 0.00 0.23 0.00 0.00 176.35 176.16 1wh0 n ALA 18 N 0.64 1.48 -3.68 4.21 0.00 -1.26 -4.43 120.51 117.47 1wh0 n ALA 18 Ca 0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 53.44 52.10 1wh0 n ALA 18 Cb 0.45 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 1wh0 n ALA 18 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wh0 s PHE 19 N -2.49 -0.24 -0.12 0.00 5.36 -1.26 -5.06 117.98 114.17 1wh0 s PHE 19 Ca -0.22 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1wh0 s PHE 19 Cb 0.07 -0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 1wh0 s PHE 19 CO 0.70 -0.27 -0.20 0.08 -1.46 0.00 0.00 175.22 174.06 1wh0 s VAL 20 N 2.10 1.90 -0.35 3.12 1.01 -1.26 -5.07 120.40 121.86 1wh0 s VAL 20 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 1wh0 s VAL 20 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1wh0 s VAL 20 CO -0.07 0.52 2.21 -0.75 0.00 0.00 0.00 175.10 177.01 1wh0 s LYS 21 N 0.77 2.78 0.27 2.72 2.36 -1.26 -4.90 119.74 122.48 1wh0 s LYS 21 Ca -0.09 1.66 -0.12 0.00 -2.55 0.00 0.00 55.97 54.87 1wh0 s LYS 21 Cb -0.16 -4.42 0.00 0.00 -1.05 0.00 0.00 37.83 32.20 1wh0 s LYS 21 CO 0.00 -2.50 0.50 0.54 1.55 0.00 0.00 175.35 175.44 1wh0 s ASN 22 N 9.29 0.01 -0.10 1.43 6.03 -1.26 -0.40 114.94 129.94 1wh0 s ASN 22 Ca 0.95 -0.98 -0.04 0.00 -1.03 0.00 0.00 52.86 51.75 1wh0 s ASN 22 Cb -0.25 0.61 0.05 0.00 -3.03 0.00 0.00 41.25 38.63 1wh0 s ASN 22 CO 0.31 -1.19 0.21 -0.62 -2.03 0.00 0.00 177.10 173.78 1wh0 s ASP 23 N -3.04 0.24 -0.12 3.54 -1.08 1.00 -4.94 116.67 112.28 1wh0 s ASP 23 Ca 0.22 0.47 0.02 0.00 -0.52 0.00 0.00 52.55 52.74 1wh0 s ASP 23 Cb -0.01 0.45 -0.01 0.00 -1.46 0.00 0.00 42.92 41.89 1wh0 s ASP 23 CO 0.10 -0.21 -0.18 -0.94 0.52 0.00 0.00 175.17 174.46 1wh0 s SER 24 N 1.93 3.60 0.12 -0.34 1.04 -1.26 0.28 113.70 119.08 1wh0 s SER 24 Ca -0.02 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.05 1wh0 s SER 24 Cb -0.12 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 1wh0 s SER 24 CO -0.07 0.16 -0.10 -0.72 0.98 0.00 0.00 173.24 173.49 1wh0 s TYR 25 N 0.37 2.71 -0.40 5.02 1.13 -0.72 -4.97 117.35 120.49 1wh0 s TYR 25 Ca -0.14 -0.18 -0.29 0.00 -1.41 0.00 0.00 57.07 55.06 1wh0 s TYR 25 Cb -0.17 -1.40 0.01 0.00 -1.10 0.00 0.00 41.96 39.30 1wh0 s TYR 25 CO 0.07 0.45 1.41 -1.21 -2.51 0.00 0.00 175.55 173.76 1wh0 s GLU 26 N -2.37 3.61 0.21 -3.49 2.02 -1.26 -2.71 118.70 114.71 1wh0 s GLU 26 Ca 0.22 0.99 0.08 0.00 0.02 0.00 0.00 54.97 56.27 1wh0 s GLU 26 Cb -0.11 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 1wh0 s GLU 26 CO 0.14 -1.52 0.05 0.21 0.02 0.00 0.00 175.26 174.16 1wh0 s LYS 27 N 4.87 2.53 0.17 1.61 2.20 0.07 -4.99 119.74 126.20 1wh0 s LYS 27 Ca 0.61 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1wh0 s LYS 27 Cb -0.14 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1wh0 s LYS 27 CO 0.32 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 1wh0 n GLY 28 N -0.54 0.29 0.09 5.54 0.00 -1.26 -1.41 105.19 107.90 1wh0 n GLY 28 Ca -0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1wh0 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 29 N 0.00 -0.08 0.00 1.61 0.13 -2.02 -3.37 132.00 128.26 1wh0 h PRO 29 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wh0 h PRO 29 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wh0 h PRO 29 CO 0.00 0.37 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.76 1wh0 n ASP 30 N -4.90 1.46 -4.83 1.44 8.00 -1.26 -4.72 116.55 111.73 1wh0 n ASP 30 Ca -0.08 -2.43 -0.35 0.00 0.71 0.00 0.00 54.79 52.63 1wh0 n ASP 30 Cb 0.25 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wh0 s SER 31 N -1.81 6.91 -0.20 -2.24 0.01 -0.50 -0.98 113.70 114.89 1wh0 s SER 31 Ca 0.15 1.21 -0.04 0.00 1.31 0.00 0.00 55.95 58.58 1wh0 s SER 31 Cb 0.13 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 64.11 1wh0 s SER 31 CO 0.01 0.06 0.18 -0.69 0.41 0.00 0.00 173.24 173.21 1wh0 s VAL 32 N -1.51 -0.24 0.11 3.43 1.01 -0.49 -0.75 120.40 121.96 1wh0 s VAL 32 Ca 0.40 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1wh0 s VAL 32 Cb -0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1wh0 s VAL 32 CO 0.20 -0.26 0.50 -0.69 0.00 0.00 0.00 175.10 174.84 1wh0 s VAL 33 N 2.25 4.93 -0.04 2.92 1.01 -1.10 -0.58 120.40 129.79 1wh0 s VAL 33 Ca 0.05 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1wh0 s VAL 33 Cb -0.16 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1wh0 s VAL 33 CO -0.13 0.32 -0.22 -0.69 0.00 0.00 0.00 175.10 174.38 1wh0 s VAL 34 N -1.38 1.76 -0.33 2.92 1.01 -0.88 -1.75 120.40 121.76 1wh0 s VAL 34 Ca 0.34 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1wh0 s VAL 34 Cb -0.15 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.83 1wh0 s VAL 34 CO 0.18 0.50 0.03 -1.00 0.00 0.00 0.00 175.10 174.80 1wh0 s HIS 35 N -0.21 3.55 -0.17 5.22 3.76 0.14 -2.59 115.29 125.00 1wh0 s HIS 35 Ca 0.00 -2.59 -0.19 0.00 -0.15 0.00 0.00 55.06 52.13 1wh0 s HIS 35 Cb -0.11 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 1wh0 s HIS 35 CO 0.02 -0.92 0.52 0.08 -0.85 0.00 0.00 174.74 173.59 1wh0 s VAL 36 N 1.04 5.12 -0.66 -0.90 1.01 -0.59 -0.00 120.40 125.41 1wh0 s VAL 36 Ca 0.03 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 62.74 1wh0 s VAL 36 Cb -0.20 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wh0 s VAL 36 CO -0.06 0.22 1.16 -0.31 0.00 0.00 0.00 175.10 176.11 1wh0 s TYR 37 N 1.31 2.50 -0.24 5.22 1.51 0.46 -1.09 117.35 127.03 1wh0 s TYR 37 Ca 0.26 -0.00 -0.28 0.00 -1.01 0.00 0.00 57.07 56.03 1wh0 s TYR 37 Cb -0.15 -4.47 0.15 0.00 -0.11 0.00 0.00 41.96 37.38 1wh0 s TYR 37 CO 0.10 -1.78 1.16 0.54 -1.11 0.00 0.00 175.55 174.46 1wh0 s VAL 38 N 5.02 0.00 0.39 0.71 0.11 -1.02 -4.78 120.40 120.83 1wh0 s VAL 38 Ca 0.34 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1wh0 s VAL 38 Cb -0.10 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1wh0 s VAL 38 CO 0.18 0.00 0.16 0.29 -3.33 0.00 0.00 175.10 172.39 1wh0 n LYS 39 N 1.13 0.57 -3.99 1.54 5.02 -1.26 -3.19 118.16 117.97 1wh0 n LYS 39 Ca -0.08 -3.34 -0.31 0.00 -2.02 0.00 0.00 58.31 52.55 1wh0 n LYS 39 Cb 0.58 1.91 0.01 0.00 -0.02 0.00 0.00 35.03 37.51 1wh0 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wh0 n GLU 40 N -0.86 -4.76 -3.43 1.97 -0.58 -1.26 -4.01 120.64 107.71 1wh0 n GLU 40 Ca -0.04 0.53 -0.31 0.00 -0.42 0.00 0.00 57.16 56.91 1wh0 n GLU 40 Cb 0.59 -5.33 -0.05 0.00 -0.57 0.00 0.00 31.44 26.09 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wh0 s ILE 41 N -3.34 4.98 -0.50 -3.67 1.01 -1.26 -1.62 121.20 116.80 1wh0 s ILE 41 Ca 0.63 0.35 -0.16 0.00 0.00 0.00 0.00 60.65 61.47 1wh0 s ILE 41 Cb -0.32 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.60 1wh0 s ILE 41 CO 0.86 -0.10 0.44 0.00 0.00 0.00 0.00 174.94 176.14 1wh0 n ARG 43 N 5.26 0.04 0.11 0.00 1.74 -1.26 -0.91 116.66 121.64 1wh0 n ARG 43 Ca -0.13 0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 57.09 1wh0 n ARG 43 Cb 0.43 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 1wh0 n ARG 43 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wh0 h ASP 44 N 0.00 0.69 -0.29 0.55 3.32 -1.99 -3.34 116.42 115.36 1wh0 h ASP 44 Ca 0.00 -0.86 -0.05 0.00 0.02 0.00 0.00 57.03 56.14 1wh0 h ASP 44 Cb 0.19 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1wh0 h ASP 44 CO 0.00 1.70 0.00 0.35 -1.72 0.00 0.00 179.24 179.57 1wh0 n THR 45 N -3.63 2.35 -3.93 0.35 -2.24 -0.94 -4.92 114.28 101.31 1wh0 n THR 45 Ca -0.19 -2.06 -0.29 0.00 -2.27 0.00 0.00 64.05 59.24 1wh0 n THR 45 Cb 1.09 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 1wh0 n THR 45 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wh0 s SER 46 N -2.06 2.89 0.44 3.42 0.01 -0.09 -4.08 113.70 114.23 1wh0 s SER 46 Ca 0.43 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.06 1wh0 s SER 46 Cb 0.36 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 1wh0 s SER 46 CO 0.07 -0.16 0.14 0.00 0.41 0.00 0.00 173.24 173.70 1wh0 s ARG 47 N 1.57 2.03 -0.05 12.44 1.70 0.44 -4.74 118.95 132.33 1wh0 s ARG 47 Ca 0.01 -2.27 -0.02 0.00 -0.47 0.00 0.00 55.73 52.98 1wh0 s ARG 47 Cb -0.15 -0.65 0.04 0.00 -0.57 0.00 0.00 34.95 33.62 1wh0 s ARG 47 CO -0.08 -0.54 0.10 0.08 -1.08 0.00 0.00 175.30 173.78 1wh0 s VAL 48 N -3.14 -0.14 -0.29 4.99 1.01 -1.26 -0.75 120.40 120.82 1wh0 s VAL 48 Ca 0.19 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 1wh0 s VAL 48 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1wh0 s VAL 48 CO 0.14 0.14 0.38 -0.76 0.00 0.00 0.00 175.10 175.00 1wh0 s LEU 49 N 1.91 4.14 -0.45 3.92 2.01 0.15 -4.95 118.68 125.41 1wh0 s LEU 49 Ca 0.00 0.16 -0.16 0.00 0.01 0.00 0.00 54.13 54.14 1wh0 s LEU 49 Cb -0.12 -2.42 0.04 0.00 0.01 0.00 0.00 46.19 43.70 1wh0 s LEU 49 CO -0.04 -0.24 0.41 -0.36 1.01 0.00 0.00 176.35 177.13 1wh0 s PHE 50 N 2.09 3.20 0.52 0.29 0.08 -1.26 -0.60 117.98 122.30 1wh0 s PHE 50 Ca 0.15 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.54 1wh0 s PHE 50 Cb -0.16 -3.00 0.10 0.00 -0.57 0.00 0.00 43.02 39.40 1wh0 s PHE 50 CO 0.11 -0.75 0.72 0.54 -0.10 0.00 0.00 175.22 175.73 1wh0 n ARG 51 N 5.42 0.08 0.08 0.44 5.12 -0.10 -4.64 116.66 123.07 1wh0 n ARG 51 Ca -0.10 -1.93 -0.23 0.00 -1.93 0.00 0.00 57.85 53.66 1wh0 n ARG 51 Cb 0.46 -0.48 -0.15 0.00 -1.16 0.00 0.00 32.46 31.13 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1wh0 h GLU 52 N 0.00 0.40 0.00 5.56 4.11 -1.98 -3.33 114.58 119.34 1wh0 h GLU 52 Ca -0.24 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.50 1wh0 h GLU 52 Cb 0.87 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1wh0 h GLU 52 CO 0.25 1.32 -0.18 0.94 0.07 0.00 0.00 179.01 181.41 1wh0 n GLN 53 N -3.60 1.25 -3.64 1.06 7.27 -1.26 0.35 117.38 118.81 1wh0 n GLN 53 Ca -0.23 -2.66 -0.01 0.00 0.07 0.00 0.00 57.00 54.17 1wh0 n GLN 53 Cb 1.08 -1.44 0.02 0.00 2.41 0.00 0.00 30.24 32.31 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -1.22 -1.38 -3.45 1.69 5.75 -1.26 -2.58 116.55 114.10 1wh0 n ASP 54 Ca 0.16 -1.61 0.01 0.00 -0.01 0.00 0.00 54.79 53.34 1wh0 n ASP 54 Cb 0.67 2.21 -0.03 0.00 -1.03 0.00 0.00 41.12 42.94 1wh0 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1wh0 s PHE 55 N -2.42 -1.11 -0.06 2.11 -0.12 -1.09 -0.92 117.98 114.37 1wh0 s PHE 55 Ca 0.22 1.72 -0.04 0.00 -0.05 0.00 0.00 56.93 58.78 1wh0 s PHE 55 Cb -0.02 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1wh0 s PHE 55 CO 0.03 -0.57 0.15 0.99 -0.05 0.00 0.00 175.22 175.78 1wh0 s THR 56 N 2.75 5.39 -0.27 -4.49 2.01 0.23 -2.58 115.64 118.68 1wh0 s THR 56 Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1wh0 s THR 56 Cb -0.10 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.05 1wh0 s THR 56 CO -0.18 0.46 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.97 1wh0 s LEU 57 N -1.50 3.11 -0.31 4.42 2.96 0.13 0.32 118.68 127.82 1wh0 s LEU 57 Ca 0.21 -1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 52.57 1wh0 s LEU 57 Cb -0.12 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 1wh0 s LEU 57 CO 0.11 -0.28 0.15 -0.63 -1.32 0.00 0.00 176.35 174.39 1wh0 s ILE 58 N 1.27 4.67 -0.14 6.68 1.09 0.07 -1.23 121.20 133.61 1wh0 s ILE 58 Ca -0.01 -0.35 -0.14 0.00 -1.10 0.00 0.00 60.65 59.05 1wh0 s ILE 58 Cb -0.19 -3.35 0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1wh0 s ILE 58 CO -0.08 0.10 0.38 0.72 -0.10 0.00 0.00 174.94 175.96 1wh0 s PHE 59 N 1.63 -0.41 -0.41 3.97 -0.12 -0.87 0.17 117.98 121.92 1wh0 s PHE 59 Ca 0.05 1.00 -0.13 0.00 -0.05 0.00 0.00 56.93 57.80 1wh0 s PHE 59 Cb -0.17 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wh0 s PHE 59 CO 0.07 -0.21 0.28 -0.65 -0.05 0.00 0.00 175.22 174.65 1wh0 s GLN 60 N 0.13 2.84 0.21 1.99 -0.21 -1.26 -3.37 119.66 119.98 1wh0 s GLN 60 Ca -0.01 -1.21 -0.01 0.00 0.02 0.00 0.00 55.36 54.15 1wh0 s GLN 60 Cb -0.03 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 1wh0 s GLN 60 CO 0.01 -0.84 0.41 -0.08 -2.12 0.00 0.00 175.29 172.66 1wh0 s THR 61 N 1.58 5.19 -0.06 -0.19 -1.32 -1.26 -2.26 115.64 117.30 1wh0 s THR 61 Ca 0.03 -0.30 0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1wh0 s THR 61 Cb -0.21 -3.73 0.33 0.00 -1.51 0.00 0.00 72.50 67.38 1wh0 s THR 61 CO 0.06 -0.18 1.15 -2.11 -2.21 0.00 0.00 174.62 171.33 1wh0 n ARG 62 N -0.65 0.52 -3.16 7.08 1.85 -0.64 -4.18 116.66 117.49 1wh0 n ARG 62 Ca -0.04 -2.19 -0.43 0.00 -1.00 0.00 0.00 57.85 54.19 1wh0 n ARG 62 Cb 0.54 -0.65 -0.07 0.00 -1.05 0.00 0.00 32.46 31.23 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1wh0 s ASP 63 N -2.20 6.24 0.47 2.89 -1.08 -1.26 -4.92 116.67 116.82 1wh0 s ASP 63 Ca 0.28 -0.78 0.40 0.00 -0.52 0.00 0.00 52.55 51.93 1wh0 s ASP 63 Cb 0.30 -2.29 1.53 0.00 -1.46 0.00 0.00 42.92 41.00 1wh0 s ASP 63 CO -0.09 -0.84 1.45 0.61 0.52 0.00 0.00 175.17 176.82 1wh0 n GLY 64 N 5.14 -0.87 0.24 2.66 0.00 -1.26 0.17 105.19 111.27 1wh0 n GLY 64 Ca -0.06 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.55 1wh0 n GLY 64 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wh0 h ASN 65 N 0.00 0.73 0.45 1.61 2.35 -1.99 0.35 115.58 119.09 1wh0 h ASN 65 Ca 0.86 -0.21 -0.31 0.00 -0.55 0.00 0.00 56.30 56.09 1wh0 h ASN 65 Cb 3.18 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 41.37 1wh0 h ASN 65 CO -0.18 0.75 -1.41 0.15 -1.65 0.00 0.00 177.43 175.09 1wh0 h PHE 66 N 0.68 0.66 0.12 1.19 3.04 0.14 -3.34 116.94 119.43 1wh0 h PHE 66 Ca 0.16 -0.48 -0.01 0.00 3.98 0.00 0.00 57.97 61.63 1wh0 h PHE 66 Cb 0.28 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1wh0 h PHE 66 CO 0.02 1.42 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.60 1wh0 h LEU 67 N 0.10 -0.14 -1.01 0.59 3.38 -0.83 -3.10 115.31 114.30 1wh0 h LEU 67 Ca -0.21 -0.31 0.38 0.00 0.09 0.00 0.00 57.88 57.83 1wh0 h LEU 67 Cb 2.05 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.67 1wh0 h LEU 67 CO 0.22 0.26 0.56 0.03 0.09 0.00 0.00 178.44 179.59 1wh0 h ARG 68 N -0.55 0.12 -0.78 1.13 3.08 -0.44 0.94 114.38 117.87 1wh0 h ARG 68 Ca -0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1wh0 h ARG 68 Cb 0.44 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1wh0 h ARG 68 CO 0.03 0.08 0.48 -0.07 -1.07 0.00 0.00 179.97 179.42 1wh0 h LEU 69 N 0.12 0.78 -7.86 3.04 3.38 -1.65 -3.33 115.31 109.78 1wh0 h LEU 69 Ca 0.81 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 58.04 1wh0 h LEU 69 Cb 2.04 -0.16 -0.29 0.00 0.09 0.00 0.00 40.66 42.35 1wh0 h LEU 69 CO -0.70 0.52 -0.20 -1.00 0.09 0.00 0.00 178.44 177.14 1wh0 s HIS 70 N -6.09 3.50 0.61 1.13 3.76 0.33 -5.07 115.29 113.45 1wh0 s HIS 70 Ca -0.13 -1.99 -0.17 0.00 -0.15 0.00 0.00 55.06 52.62 1wh0 s HIS 70 Cb 0.17 -3.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 1wh0 s HIS 70 CO 0.78 -0.97 1.12 -1.25 -0.85 0.00 0.00 174.74 173.57 1wh0 s PRO 71 N 0.73 3.05 0.00 8.40 0.04 -1.25 -3.35 135.00 142.62 1wh0 s PRO 71 Ca 0.11 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1wh0 s PRO 71 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wh0 s PRO 71 CO -0.03 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.35 1wh0 n GLY 72 N -0.21 3.01 4.02 0.56 0.00 -1.26 -5.01 105.19 106.30 1wh0 n GLY 72 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1wh0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n GLY 74 N -2.17 3.03 0.18 0.00 0.00 -1.26 -5.01 105.19 99.96 1wh0 n GLY 74 Ca 0.14 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.86 1wh0 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 75 N 0.00 0.00 -0.23 1.61 0.13 -1.93 -2.57 132.00 129.00 1wh0 h PRO 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wh0 h PRO 75 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wh0 h PRO 75 CO 0.00 0.40 0.00 -2.39 -0.23 0.00 0.00 178.00 175.78 1wh0 n HIS 76 N -3.80 0.30 -3.06 1.56 1.44 -1.26 -4.44 115.22 105.95 1wh0 n HIS 76 Ca -0.01 -0.15 -0.41 0.00 -2.01 0.00 0.00 57.72 55.14 1wh0 n HIS 76 Cb 0.47 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 1wh0 n HIS 76 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wh0 s THR 77 N -1.70 4.95 0.22 0.61 2.01 -0.97 -5.03 115.64 115.73 1wh0 s THR 77 Ca 0.33 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 1wh0 s THR 77 Cb 0.18 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1wh0 s THR 77 CO 0.26 0.01 1.31 -0.89 -0.69 0.00 0.00 174.62 174.62 1wh0 s THR 78 N 2.57 3.12 -0.19 -0.82 2.01 -1.26 -4.65 115.64 116.41 1wh0 s THR 78 Ca 0.28 0.95 0.01 0.00 0.31 0.00 0.00 61.69 63.24 1wh0 s THR 78 Cb -0.15 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1wh0 s THR 78 CO 0.08 0.16 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.63 1wh0 s PHE 79 N -0.09 2.85 -0.24 4.92 0.08 -1.22 -1.66 117.98 122.63 1wh0 s PHE 79 Ca 0.55 -1.67 -0.05 0.00 0.12 0.00 0.00 56.93 55.89 1wh0 s PHE 79 Cb -0.37 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.14 1wh0 s PHE 79 CO 0.40 -0.80 -0.00 0.50 -0.10 0.00 0.00 175.22 175.22 1wh0 s ARG 80 N 1.28 3.31 -0.44 0.44 3.52 0.11 -2.06 118.95 125.11 1wh0 s ARG 80 Ca 0.03 -0.68 -0.07 0.00 -0.13 0.00 0.00 55.73 54.88 1wh0 s ARG 80 Cb -0.14 -3.12 0.11 0.00 -1.56 0.00 0.00 34.95 30.23 1wh0 s ARG 80 CO -0.11 -0.26 0.28 -0.46 -0.81 0.00 0.00 175.30 173.94 1wh0 s TRP 81 N 1.49 3.45 -0.17 5.12 -0.00 -0.36 0.82 118.94 129.29 1wh0 s TRP 81 Ca 0.05 -1.96 -0.13 0.00 -0.00 0.00 0.00 56.10 54.06 1wh0 s TRP 81 Cb -0.15 -3.30 -0.05 0.00 -0.00 0.00 0.00 33.47 29.97 1wh0 s TRP 81 CO -0.01 -0.96 0.25 -1.14 -0.00 0.00 0.00 176.95 175.09 1wh0 s GLN 82 N 1.31 4.22 -0.08 5.86 0.74 -1.26 -0.69 119.66 129.75 1wh0 s GLN 82 Ca 0.06 0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.53 1wh0 s GLN 82 Cb -0.25 -3.42 -0.00 0.00 1.10 0.00 0.00 33.01 30.45 1wh0 s GLN 82 CO -0.01 0.27 -0.22 0.08 -0.55 0.00 0.00 175.29 174.85 1wh0 s VAL 83 N 0.39 1.90 -0.46 1.34 1.01 -1.06 -5.01 120.40 118.51 1wh0 s VAL 83 Ca 0.15 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1wh0 s VAL 83 Cb -0.13 -1.64 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1wh0 s VAL 83 CO 0.03 0.53 0.58 -0.75 0.00 0.00 0.00 175.10 175.48 1wh0 s LYS 84 N 0.25 3.16 -0.39 2.72 2.20 -1.26 -2.67 119.74 123.74 1wh0 s LYS 84 Ca -0.14 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 1wh0 s LYS 84 Cb -0.16 -4.02 0.02 0.00 -1.51 0.00 0.00 37.83 32.16 1wh0 s LYS 84 CO 0.07 -1.05 0.95 -0.51 -0.36 0.00 0.00 175.35 174.44 1wh0 s LEU 85 N 2.55 3.97 0.30 5.43 1.43 -1.07 -0.97 118.68 130.32 1wh0 s LEU 85 Ca 0.17 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 1wh0 s LEU 85 Cb -0.17 -3.28 0.78 0.00 0.03 0.00 0.00 46.19 43.55 1wh0 s LEU 85 CO 0.15 -0.92 1.68 0.03 0.23 0.00 0.00 176.35 177.52 1wh0 h ARG 86 N 8.62 0.34 -6.21 1.70 2.47 -1.85 -3.41 114.38 116.04 1wh0 h ARG 86 Ca -0.23 -0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 57.91 1wh0 h ARG 86 Cb 1.08 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 29.25 1wh0 h ARG 86 CO 1.00 0.23 -0.56 1.21 0.56 0.00 0.00 179.97 182.41 1wh0 s ASN 87 N -5.12 5.43 1.12 7.04 2.47 -1.26 -5.11 114.94 119.50 1wh0 s ASN 87 Ca -0.11 -0.20 -0.13 0.00 0.42 0.00 0.00 52.86 52.83 1wh0 s ASN 87 Cb 0.26 -1.38 0.25 0.00 -1.45 0.00 0.00 41.25 38.94 1wh0 s ASN 87 CO 0.78 0.04 1.05 -0.76 -3.72 0.00 0.00 177.10 174.49 1wh0 s LEU 88 N -3.32 1.01 0.33 3.21 1.43 -1.26 -4.81 118.68 115.26 1wh0 s LEU 88 Ca 0.31 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 1wh0 s LEU 88 Cb -0.09 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.85 1wh0 s LEU 88 CO 0.23 -3.84 0.58 0.27 0.23 0.00 0.00 176.35 173.82 1wh0 s ILE 89 N -2.68 0.00 -0.58 -0.59 -4.36 0.15 -3.99 121.20 109.16 1wh0 s ILE 89 Ca 0.67 -1.34 -0.01 0.00 -0.26 0.00 0.00 60.65 59.71 1wh0 s ILE 89 Cb -0.22 -2.55 0.15 0.00 1.25 0.00 0.00 42.46 41.09 1wh0 s ILE 89 CO 0.62 0.00 0.38 -1.61 0.24 0.00 0.00 174.94 174.56 1wh0 s GLU 90 N -3.14 2.38 0.47 0.37 2.02 0.12 -4.68 118.70 116.24 1wh0 s GLU 90 Ca 0.23 -2.47 0.26 0.00 0.02 0.00 0.00 54.97 53.01 1wh0 s GLU 90 Cb -0.02 -3.63 1.11 0.00 0.10 0.00 0.00 34.13 31.68 1wh0 s GLU 90 CO 0.14 -1.15 1.90 -1.00 0.02 0.00 0.00 175.26 175.18 1wh0 h PRO 91 N 7.04 0.00 0.00 0.39 0.13 -1.82 -2.68 132.00 135.05 1wh0 h PRO 91 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1wh0 h PRO 91 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1wh0 h PRO 91 CO 0.70 0.18 0.00 0.93 -0.23 0.00 0.00 178.00 179.58 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.90 -2.14 114.58 116.48 1wh0 h GLU 92 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wh0 h GLU 92 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wh0 h GLU 92 CO 0.02 0.00 -0.61 1.04 -1.00 0.00 0.00 179.01 178.46 1wh0 n GLN 93 N -2.36 3.39 -1.43 2.33 6.02 -1.04 -5.04 117.38 119.25 1wh0 n GLN 93 Ca -0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 1wh0 n GLN 93 Cb 0.12 -0.89 0.09 0.00 1.02 0.00 0.00 30.24 30.59 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh0 s THR 95 N -2.02 0.09 -0.07 0.00 -4.23 -0.95 -5.01 115.64 103.44 1wh0 s THR 95 Ca 0.74 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1wh0 s THR 95 Cb -0.28 -0.39 0.02 0.00 1.34 0.00 0.00 72.50 73.19 1wh0 s THR 95 CO 0.45 -0.40 -0.07 0.72 -0.54 0.00 0.00 174.62 174.79 1wh0 s PHE 96 N -1.37 1.15 -0.15 3.99 -0.71 -1.26 -1.35 117.98 118.29 1wh0 s PHE 96 Ca -0.15 -0.45 -0.08 0.00 -1.04 0.00 0.00 56.93 55.21 1wh0 s PHE 96 Cb -0.08 -0.97 0.05 0.00 -1.21 0.00 0.00 43.02 40.82 1wh0 s PHE 96 CO 0.01 -0.33 0.35 0.00 -1.34 0.00 0.00 175.22 173.91 1wh0 s PHE 98 N 1.35 3.02 0.17 0.00 0.40 -1.26 -0.84 117.98 120.81 1wh0 s PHE 98 Ca -0.09 1.45 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1wh0 s PHE 98 Cb -0.09 -2.92 -0.00 0.00 0.51 0.00 0.00 43.02 40.52 1wh0 s PHE 98 CO -0.11 -1.32 0.03 0.25 0.70 0.00 0.00 175.22 174.77 1wh0 n THR 99 N -3.11 0.00 0.00 0.64 -2.24 0.46 -4.76 114.28 105.27 1wh0 n THR 99 Ca 0.08 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1wh0 n THR 99 Cb 0.53 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1wh0 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh0 n ALA 100 N -2.31 0.00 -0.91 6.98 0.00 -1.26 -3.70 120.51 119.31 1wh0 n ALA 100 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1wh0 n ALA 100 Cb 0.24 0.36 0.08 0.00 0.00 0.00 0.00 19.45 20.13 1wh0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 101 N -1.91 1.85 -4.02 0.00 3.41 -1.26 -4.86 113.62 106.84 1wh0 n SER 101 Ca 0.00 -2.57 -0.10 0.00 -0.26 0.00 0.00 58.87 55.94 1wh0 n SER 101 Cb 0.00 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1wh0 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s ARG 102 N -1.91 1.15 -0.02 4.33 1.70 -1.19 -2.42 118.95 120.58 1wh0 s ARG 102 Ca 0.18 -1.27 0.01 0.00 -0.47 0.00 0.00 55.73 54.19 1wh0 s ARG 102 Cb 0.16 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.86 1wh0 s ARG 102 CO 0.02 -0.41 -0.01 0.42 -1.08 0.00 0.00 175.30 174.24 1wh0 s ILE 103 N -4.00 4.10 -0.16 4.99 1.01 -0.25 0.18 121.20 127.06 1wh0 s ILE 103 Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1wh0 s ILE 103 Cb 0.04 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1wh0 s ILE 103 CO 0.02 0.44 -0.18 -1.81 0.00 0.00 0.00 174.94 173.41 1wh0 s ASP 104 N -1.35 3.37 -0.20 3.58 1.11 -0.02 -1.55 116.67 121.61 1wh0 s ASP 104 Ca 0.17 -0.56 -0.00 0.00 0.18 0.00 0.00 52.55 52.34 1wh0 s ASP 104 Cb -0.11 -1.51 0.05 0.00 1.07 0.00 0.00 42.92 42.42 1wh0 s ASP 104 CO 0.08 0.05 -0.04 -0.63 1.18 0.00 0.00 175.17 175.81 1wh0 s ILE 105 N 1.01 1.16 -0.36 0.77 1.01 -1.07 -1.22 121.20 122.50 1wh0 s ILE 105 Ca -0.02 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1wh0 s ILE 105 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1wh0 s ILE 105 CO -0.05 -0.03 0.82 0.00 0.00 0.00 0.00 174.94 175.68 1wh0 s LEU 107 N 3.19 3.97 -0.52 0.00 1.43 0.25 -2.24 118.68 124.75 1wh0 s LEU 107 Ca 0.33 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 1wh0 s LEU 107 Cb -0.13 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.21 1wh0 s LEU 107 CO 0.17 -0.18 0.65 -0.60 0.23 0.00 0.00 176.35 176.62 1wh0 s ARG 108 N 1.57 3.12 0.87 1.70 6.06 -1.26 -1.40 118.95 129.60 1wh0 s ARG 108 Ca 0.04 -0.93 -0.12 0.00 -2.50 0.00 0.00 55.73 52.22 1wh0 s ARG 108 Cb -0.17 -4.12 0.11 0.00 0.06 0.00 0.00 34.95 30.83 1wh0 s ARG 108 CO 0.05 -1.29 1.10 0.15 -2.50 0.00 0.00 175.30 172.80 1wh0 s LYS 109 N 2.71 1.52 -0.03 5.12 1.02 -0.15 0.11 119.74 130.03 1wh0 s LYS 109 Ca 0.15 0.66 -0.05 0.00 0.02 0.00 0.00 55.97 56.75 1wh0 s LYS 109 Cb -0.20 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1wh0 s LYS 109 CO 0.11 -2.02 0.35 0.00 -0.92 0.00 0.00 175.35 172.87 1wh0 h ARG 110 N -1.38 -0.18 -5.70 1.68 3.08 -1.87 -3.42 114.38 106.58 1wh0 h ARG 110 Ca -0.49 0.01 -0.61 0.00 0.07 0.00 0.00 59.98 58.96 1wh0 h ARG 110 Cb 1.29 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.27 1wh0 h ARG 110 CO 0.58 -0.12 -0.55 -0.65 -1.07 0.00 0.00 179.97 178.16 1wh0 s GLN 111 N -2.16 2.08 -1.15 0.04 -0.21 -1.26 -5.03 119.66 111.96 1wh0 s GLN 111 Ca -0.03 -2.05 -0.12 0.00 0.02 0.00 0.00 55.36 53.18 1wh0 s GLN 111 Cb 0.00 -1.76 0.21 0.00 1.00 0.00 0.00 33.01 32.46 1wh0 s GLN 111 CO 0.08 -0.12 1.29 0.45 -2.12 0.00 0.00 175.29 174.87 1wh0 s SER 112 N -3.81 7.14 0.25 5.90 0.15 -1.26 -4.88 113.70 117.19 1wh0 s SER 112 Ca 0.34 -3.17 0.05 0.00 0.70 0.00 0.00 55.95 53.87 1wh0 s SER 112 Cb 0.07 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1wh0 s SER 112 CO 0.18 -0.59 -0.04 0.00 1.20 0.00 0.00 173.24 174.00 1wh0 s GLN 113 N 0.58 1.44 0.16 5.44 0.00 -1.26 -5.11 119.66 120.90 1wh0 s GLN 113 Ca 0.37 -1.73 -0.30 0.00 -0.00 0.00 0.00 55.36 53.71 1wh0 s GLN 113 Cb -0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 33.01 31.98 1wh0 s GLN 113 CO -0.03 -0.02 1.26 1.03 0.00 0.00 0.00 175.29 177.52 1wh0 s ARG 114 N -3.79 4.43 -0.13 9.60 0.52 -1.26 -4.93 118.95 123.39 1wh0 s ARG 114 Ca 0.29 1.93 0.15 0.00 -0.52 0.00 0.00 55.73 57.58 1wh0 s ARG 114 Cb 0.05 -3.25 -0.24 0.00 0.52 0.00 0.00 34.95 32.03 1wh0 s ARG 114 CO 0.10 -0.21 0.35 0.91 0.02 0.00 0.00 175.30 176.47 1wh0 n TRP 115 N 2.98 0.49 -2.93 -0.53 7.02 -1.26 -4.99 117.44 118.22 1wh0 n TRP 115 Ca 0.07 0.17 -0.21 0.00 -1.02 0.00 0.00 57.50 56.51 1wh0 n TRP 115 Cb 0.44 -1.09 0.02 0.00 -2.42 0.00 0.00 31.31 28.26 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wh0 n GLY 116 N 1.67 -0.51 0.00 6.99 0.00 -1.26 -4.76 105.19 107.31 1wh0 n GLY 116 Ca -0.25 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1wh0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 117 N -1.31 3.49 0.37 -0.02 0.00 -1.26 -5.01 105.19 101.46 1wh0 n GLY 117 Ca -0.12 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1wh0 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wh0 h LEU 118 N 0.00 -1.03 -9.70 0.99 5.85 -1.95 -3.42 115.31 106.06 1wh0 h LEU 118 Ca 0.00 0.11 -0.59 0.00 0.84 0.00 0.00 57.88 58.24 1wh0 h LEU 118 Cb 0.00 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1wh0 h LEU 118 CO 0.00 -0.46 -0.12 -1.61 -0.34 0.00 0.00 178.44 175.91 1wh0 s GLU 119 N -5.98 4.06 0.34 1.25 2.02 -1.26 -4.27 118.70 114.85 1wh0 s GLU 119 Ca -0.16 0.57 -0.29 0.00 0.02 0.00 0.00 54.97 55.11 1wh0 s GLU 119 Cb 0.07 -3.22 -0.11 0.00 0.10 0.00 0.00 34.13 30.98 1wh0 s GLU 119 CO 0.64 0.66 1.49 0.00 0.02 0.00 0.00 175.26 178.06 1wh0 s ALA 120 N -1.11 3.62 1.08 5.21 0.00 -0.15 -4.91 121.76 125.49 1wh0 s ALA 120 Ca 0.27 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 1wh0 s ALA 120 Cb -0.18 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 19.44 1wh0 s ALA 120 CO 0.16 -0.95 0.34 -0.35 0.00 0.00 0.00 175.76 174.96 1wh0 n PRO 121 N 1.15 -1.69 -3.73 0.00 -0.04 -1.26 -4.99 135.00 124.45 1wh0 n PRO 121 Ca 0.03 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1wh0 n PRO 121 Cb 0.39 -0.51 -0.00 0.00 -0.04 0.00 0.00 33.50 33.34 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 s ALA 122 N -2.98 -2.10 0.15 0.55 0.00 -1.26 -5.14 121.76 110.98 1wh0 s ALA 122 Ca 0.22 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1wh0 s ALA 122 Cb -0.02 0.54 -0.16 0.00 0.00 0.00 0.00 23.12 23.47 1wh0 s ALA 122 CO 0.17 -1.07 0.57 0.00 0.00 0.00 0.00 175.76 175.43 1wh0 n ALA 123 N -0.57 -2.85 -1.78 0.00 0.00 -1.26 -4.87 120.51 109.19 1wh0 n ALA 123 Ca -0.06 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1wh0 n ALA 123 Cb 0.61 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1wh0 n ALA 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wh0 s ARG 124 N -0.74 3.53 -0.18 0.00 1.81 -1.26 -5.05 118.95 117.06 1wh0 s ARG 124 Ca 0.63 1.55 -0.04 0.00 -1.72 0.00 0.00 55.73 56.15 1wh0 s ARG 124 Cb -0.91 -2.07 0.09 0.00 -0.45 0.00 0.00 34.95 31.61 1wh0 s ARG 124 CO 0.51 -0.69 0.29 0.08 -0.68 0.00 0.00 175.30 174.81 1wh0 s VAL 125 N -1.81 -0.45 0.00 3.52 1.01 -1.26 -5.07 120.40 116.34 1wh0 s VAL 125 Ca 0.70 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1wh0 s VAL 125 Cb -0.22 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1wh0 s VAL 125 CO 0.25 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1wh0 n GLY 126 N 5.35 0.07 6.97 4.51 0.00 -1.26 -5.12 105.19 115.71 1wh0 n GLY 126 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wh0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 127 N 3.42 -0.79 3.76 -0.02 0.00 -1.26 -4.69 105.19 105.61 1wh0 n GLY 127 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n ALA 128 N -0.01 2.13 -0.59 4.61 0.00 -1.26 -4.96 120.51 120.43 1wh0 n ALA 128 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1wh0 n ALA 128 Cb 0.00 -2.38 0.22 0.00 0.00 0.00 0.00 19.45 17.29 1wh0 n ALA 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wh0 s SER 129 N -0.13 1.62 0.00 0.00 1.04 -1.26 -5.03 113.70 109.94 1wh0 s SER 129 Ca 0.54 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1wh0 s SER 129 Cb -0.50 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1wh0 s SER 129 CO 0.63 -3.84 0.00 0.61 0.98 0.00 0.00 173.24 171.61 1wh0 n GLY 130 N 0.62 3.02 0.19 7.32 0.00 -1.26 -5.00 105.19 110.09 1wh0 n GLY 130 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1wh0 n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 131 N 0.00 0.24 -4.17 1.61 0.13 -2.05 -3.44 132.00 124.32 1wh0 h PRO 131 Ca 0.00 -0.13 -0.42 0.00 -0.87 0.00 0.00 66.00 64.58 1wh0 h PRO 131 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1wh0 h PRO 131 CO 0.00 0.66 1.45 0.43 -0.23 0.00 0.00 178.00 180.31 1wh0 n SER 132 N -3.98 0.25 -4.78 1.44 7.64 -1.26 -4.85 113.62 108.08 1wh0 n SER 132 Ca -0.02 0.16 -0.38 0.00 1.01 0.00 0.00 58.87 59.65 1wh0 n SER 132 Cb 0.52 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 1wh0 n SER 132 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh0 s SER 133 N 7.42 6.68 0.00 6.43 0.15 -1.26 -5.12 113.70 128.00 1wh0 s SER 133 Ca 1.13 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1wh0 s SER 133 Cb -1.05 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.02 1wh0 s SER 133 CO 0.41 0.17 0.16 0.61 1.20 0.00 0.00 173.24 175.79