#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s ILE 2 N 0.00 5.03 0.03 3.17 -1.09 0.51 -4.79 121.20 124.07 2wh4 s ILE 2 Ca 0.00 0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 59.08 2wh4 s ILE 2 Cb 0.00 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2wh4 s ILE 2 CO 0.00 0.43 0.05 -1.58 -1.23 0.00 0.00 174.94 172.61 2wh4 s GLN 3 N -1.49 0.52 0.19 2.79 0.74 -1.26 0.27 119.66 121.42 2wh4 s GLN 3 Ca 0.29 -0.79 -0.33 0.00 0.05 0.00 0.00 55.36 54.58 2wh4 s GLN 3 Cb -0.15 0.20 -0.14 0.00 1.10 0.00 0.00 33.01 34.02 2wh4 s GLN 3 CO 0.16 -0.12 1.49 -0.35 -0.55 0.00 0.00 175.29 175.93 2wh4 n PRO 4 N 0.87 2.05 0.00 1.67 -0.04 -1.26 -0.74 135.00 137.55 2wh4 n PRO 4 Ca -0.19 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2wh4 n PRO 4 Cb 0.58 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2wh4 n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wh4 n GLN 5 N 2.79 0.00 -2.51 0.54 -0.06 0.60 -4.95 117.38 113.78 2wh4 n GLN 5 Ca 0.15 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.75 2wh4 n GLN 5 Cb 0.29 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.43 2wh4 n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wh4 s THR 6 N -2.49 3.57 0.25 1.69 2.01 0.08 -4.69 115.64 116.05 2wh4 s THR 6 Ca 0.00 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.38 2wh4 s THR 6 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2wh4 s THR 6 CO 0.00 0.32 0.65 -0.31 -0.69 0.00 0.00 174.62 174.59 2wh4 s TYR 7 N -1.24 3.47 -0.06 4.92 1.51 -1.26 -0.42 117.35 124.27 2wh4 s TYR 7 Ca 0.46 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 2wh4 s TYR 7 Cb -0.30 -2.44 0.02 0.00 -0.11 0.00 0.00 41.96 39.13 2wh4 s TYR 7 CO 0.38 0.24 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.50 2wh4 s LEU 8 N -2.60 1.19 0.23 -1.29 2.01 0.29 -4.79 118.68 113.72 2wh4 s LEU 8 Ca 0.48 -0.16 -0.30 0.00 0.01 0.00 0.00 54.13 54.16 2wh4 s LEU 8 Cb -0.12 -0.55 -0.09 0.00 0.01 0.00 0.00 46.19 45.44 2wh4 s LEU 8 CO 0.19 -0.08 1.09 -0.70 1.01 0.00 0.00 176.35 177.86 2wh4 s GLU 9 N 1.21 4.64 0.01 1.70 2.56 -0.13 -0.99 118.70 127.70 2wh4 s GLU 9 Ca -0.06 1.74 -0.21 0.00 0.00 0.00 0.00 54.97 56.44 2wh4 s GLU 9 Cb -0.14 -3.24 -0.06 0.00 2.00 0.00 0.00 34.13 32.70 2wh4 s GLU 9 CO -0.02 0.18 0.61 0.14 -0.56 0.00 0.00 175.26 175.61 2wh4 s VAL 10 N -0.75 4.87 -0.95 3.70 -7.23 0.58 -1.88 120.40 118.75 2wh4 s VAL 10 Ca 0.46 1.29 0.26 0.00 -1.81 0.00 0.00 61.98 62.18 2wh4 s VAL 10 Cb -0.30 -3.95 0.05 0.00 0.56 0.00 0.00 36.38 32.74 2wh4 s VAL 10 CO 0.37 0.43 1.49 0.00 -0.31 0.00 0.00 175.10 177.08 2wh4 n ALA 11 N 2.63 3.26 -2.47 1.32 0.00 0.85 -4.88 120.51 121.22 2wh4 n ALA 11 Ca -0.07 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.81 2wh4 n ALA 11 Cb 0.51 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 2wh4 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wh4 s ASP 12 N -3.18 4.52 -0.00 0.00 3.84 -1.26 0.89 116.67 121.48 2wh4 s ASP 12 Ca 0.11 -1.29 0.07 0.00 -0.00 0.00 0.00 52.55 51.43 2wh4 s ASP 12 Cb 0.17 0.30 0.20 0.00 -1.38 0.00 0.00 42.92 42.22 2wh4 s ASP 12 CO 0.68 -0.97 1.15 -0.46 -0.00 0.00 0.00 175.17 175.56 2wh4 n ASN 13 N -1.59 1.28 -0.66 2.11 0.23 -1.26 -4.48 115.26 110.88 2wh4 n ASN 13 Ca -0.05 -2.02 0.51 0.00 -0.53 0.00 0.00 54.58 52.50 2wh4 n ASN 13 Cb 0.65 -0.17 0.82 0.00 -2.08 0.00 0.00 39.78 38.99 2wh4 n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wh4 h THR 14 N 1.31 0.06 0.00 5.53 2.02 -1.94 -3.43 112.91 116.46 2wh4 h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wh4 h THR 14 Cb 0.34 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2wh4 h THR 14 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 2wh4 n GLY 15 N -1.91 1.67 3.90 2.16 0.00 -1.26 -1.04 105.19 108.72 2wh4 n GLY 15 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 2wh4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 s ALA 16 N -2.00 3.45 0.03 4.61 0.00 -1.26 0.45 121.76 127.04 2wh4 s ALA 16 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2wh4 s ALA 16 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 2wh4 s ALA 16 CO 0.00 -0.20 -0.06 0.54 0.00 0.00 0.00 175.76 176.04 2wh4 n ARG 17 N -1.92 0.09 -4.26 0.00 5.12 -0.46 -4.74 116.66 110.50 2wh4 n ARG 17 Ca 0.00 0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2wh4 n ARG 17 Cb 0.55 -0.58 -0.12 0.00 -1.16 0.00 0.00 32.46 31.14 2wh4 n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wh4 s LYS 18 N -1.97 1.04 0.00 5.56 1.02 -1.08 -0.30 119.74 124.01 2wh4 s LYS 18 Ca -0.05 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.76 2wh4 s LYS 18 Cb 0.01 -1.23 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2wh4 s LYS 18 CO 0.07 0.28 0.11 0.96 -0.92 0.00 0.00 175.35 175.86 2wh4 s ILE 19 N -1.24 0.08 -0.12 2.17 -4.36 -0.16 -2.23 121.20 115.34 2wh4 s ILE 19 Ca 0.04 -0.69 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 2wh4 s ILE 19 Cb -0.10 -0.40 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 2wh4 s ILE 19 CO 0.04 -0.38 0.05 -0.32 0.24 0.00 0.00 174.94 174.57 2wh4 s MET 20 N -1.32 3.33 -0.26 0.37 -2.45 -0.65 0.10 119.30 118.41 2wh4 s MET 20 Ca -0.14 -0.33 -0.29 0.00 -1.25 0.00 0.00 55.69 53.68 2wh4 s MET 20 Cb -0.08 -2.98 -0.01 0.00 1.25 0.00 0.00 34.83 33.00 2wh4 s MET 20 CO 0.01 0.62 1.51 0.00 1.05 0.00 0.00 175.02 178.21 2wh4 h ILE 22 N 6.14 0.90 -2.66 0.00 1.08 -1.56 0.17 117.51 121.59 2wh4 h ILE 22 Ca -0.31 -2.52 -0.06 0.00 -0.39 0.00 0.00 64.86 61.58 2wh4 h ILE 22 Cb 1.13 2.71 -0.16 0.00 -3.07 0.00 0.00 36.82 37.42 2wh4 h ILE 22 CO 1.02 0.85 0.07 -0.60 -0.69 0.00 0.00 178.15 178.80 2wh4 s ARG 23 N -2.58 1.04 -0.55 2.37 6.06 -1.11 -4.82 118.95 119.36 2wh4 s ARG 23 Ca -0.16 -0.16 -0.07 0.00 -2.50 0.00 0.00 55.73 52.84 2wh4 s ARG 23 Cb 0.06 0.48 0.14 0.00 0.06 0.00 0.00 34.95 35.69 2wh4 s ARG 23 CO 0.84 -0.37 0.40 0.54 -2.50 0.00 0.00 175.30 174.21 2wh4 s VAL 24 N -2.27 4.06 -0.29 7.11 0.11 -1.26 -0.15 120.40 127.70 2wh4 s VAL 24 Ca -0.06 -2.30 -0.29 0.00 -2.93 0.00 0.00 61.98 56.41 2wh4 s VAL 24 Cb -0.01 -3.65 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 2wh4 s VAL 24 CO -0.00 -0.82 2.26 0.18 -3.33 0.00 0.00 175.10 173.38 2wh4 n LEU 25 N 4.28 2.95 0.00 2.54 4.77 -0.75 -4.65 117.00 126.13 2wh4 n LEU 25 Ca 0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2wh4 n LEU 25 Cb 0.41 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2wh4 n LEU 25 CO 0.37 -0.85 0.00 0.29 -1.33 0.00 0.00 177.39 175.87 2wh4 n LYS 26 N 8.75 0.00 0.00 3.23 5.02 -1.26 -4.35 118.16 129.55 2wh4 n LYS 26 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2wh4 n LYS 26 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2wh4 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 27 N 0.00 -2.08 0.64 0.72 0.00 -1.26 -4.86 105.19 98.34 2wh4 n GLY 27 Ca 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2wh4 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wh4 n SER 28 N 0.00 1.91 -2.24 1.61 3.41 -1.26 -4.49 113.62 112.57 2wh4 n SER 28 Ca 0.00 -1.75 -0.02 0.00 -0.26 0.00 0.00 58.87 56.84 2wh4 n SER 28 Cb 0.00 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2wh4 n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wh4 n ASN 29 N 0.49 -0.83 -4.72 4.04 0.23 -1.26 -5.14 115.26 108.07 2wh4 n ASN 29 Ca 0.16 -1.56 -0.42 0.00 -0.53 0.00 0.00 54.58 52.23 2wh4 n ASN 29 Cb 0.37 0.59 -0.03 0.00 -2.08 0.00 0.00 39.78 38.63 2wh4 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wh4 s ALA 30 N 0.05 3.78 0.01 -2.53 0.00 -1.26 -4.94 121.76 116.86 2wh4 s ALA 30 Ca 0.04 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 2wh4 s ALA 30 Cb 0.13 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2wh4 s ALA 30 CO -0.03 -0.79 0.93 0.87 0.00 0.00 0.00 175.76 176.73 2wh4 h LYS 31 N 6.62 -0.40 -5.50 0.00 1.79 -1.95 -3.46 116.57 113.66 2wh4 h LYS 31 Ca -0.43 0.03 -0.64 0.00 -2.18 0.00 0.00 60.65 57.43 2wh4 h LYS 31 Cb 1.21 0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 31.86 2wh4 h LYS 31 CO 0.90 -0.27 -0.40 0.71 -1.08 0.00 0.00 179.45 179.32 2wh4 s TYR 32 N -3.47 1.63 -0.04 -1.35 2.02 -1.26 -4.75 117.35 110.13 2wh4 s TYR 32 Ca -0.06 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.67 2wh4 s TYR 32 Cb 0.01 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2wh4 s TYR 32 CO 0.18 -0.16 0.10 0.00 -1.57 0.00 0.00 175.55 174.11 2wh4 s ALA 33 N -2.86 -0.21 0.47 3.71 0.00 0.14 -4.87 121.76 118.15 2wh4 s ALA 33 Ca 0.16 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2wh4 s ALA 33 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2wh4 s ALA 33 CO 0.10 -0.09 0.09 -0.08 0.00 0.00 0.00 175.76 175.78 2wh4 s THR 34 N 0.53 0.71 -0.27 0.00 -1.32 -1.26 0.19 115.64 114.23 2wh4 s THR 34 Ca -0.04 -2.00 -0.33 0.00 -1.21 0.00 0.00 61.69 58.11 2wh4 s THR 34 Cb -0.06 -2.15 -0.14 0.00 -1.51 0.00 0.00 72.50 68.64 2wh4 s THR 34 CO -0.02 0.00 1.06 0.52 -2.21 0.00 0.00 174.62 173.96 2wh4 n VAL 35 N -1.12 0.00 -0.37 5.08 0.31 -1.26 -1.00 118.33 119.98 2wh4 n VAL 35 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2wh4 n VAL 35 Cb 0.66 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.32 2wh4 n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh4 n GLY 36 N 2.42 0.75 3.91 2.92 0.00 0.02 -4.85 105.19 110.36 2wh4 n GLY 36 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2wh4 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh4 s ASP 37 N -2.50 6.38 0.02 1.61 1.01 -0.17 -4.85 116.67 118.18 2wh4 s ASP 37 Ca 0.00 0.33 -0.10 0.00 0.71 0.00 0.00 52.55 53.49 2wh4 s ASP 37 Cb 0.00 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.89 2wh4 s ASP 37 CO 0.00 0.17 0.36 -0.69 0.21 0.00 0.00 175.17 175.21 2wh4 s VAL 38 N -1.50 5.15 -0.02 -1.27 1.01 -1.26 -1.63 120.40 120.87 2wh4 s VAL 38 Ca 0.35 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.77 2wh4 s VAL 38 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2wh4 s VAL 38 CO 0.26 0.42 0.12 0.27 0.00 0.00 0.00 175.10 176.17 2wh4 s ILE 39 N -1.25 0.05 0.51 2.22 -4.36 0.25 -1.82 121.20 116.80 2wh4 s ILE 39 Ca 0.28 -0.38 -0.08 0.00 -0.26 0.00 0.00 60.65 60.20 2wh4 s ILE 39 Cb -0.14 -0.30 -0.04 0.00 1.25 0.00 0.00 42.46 43.22 2wh4 s ILE 39 CO 0.15 -0.21 0.86 -0.69 0.24 0.00 0.00 174.94 175.29 2wh4 s VAL 40 N -0.70 4.82 0.24 8.37 1.01 0.79 -1.61 120.40 133.32 2wh4 s VAL 40 Ca -0.08 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2wh4 s VAL 40 Cb -0.05 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wh4 s VAL 40 CO 0.01 -0.87 0.74 0.00 0.00 0.00 0.00 175.10 174.97 2wh4 s ALA 41 N -2.80 -1.36 0.09 5.51 0.00 0.15 -1.42 121.76 121.93 2wh4 s ALA 41 Ca 0.50 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2wh4 s ALA 41 Cb -0.10 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2wh4 s ALA 41 CO 0.45 -0.99 -0.10 0.45 0.00 0.00 0.00 175.76 175.57 2wh4 s SER 42 N -2.88 4.37 -0.13 0.00 0.15 -0.47 -0.50 113.70 114.24 2wh4 s SER 42 Ca 0.09 -0.36 -0.23 0.00 0.70 0.00 0.00 55.95 56.14 2wh4 s SER 42 Cb -0.04 -0.84 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2wh4 s SER 42 CO 0.03 0.19 0.73 -0.69 1.20 0.00 0.00 173.24 174.70 2wh4 s VAL 43 N -1.17 4.98 -0.67 4.45 1.01 0.31 -1.64 120.40 127.68 2wh4 s VAL 43 Ca 0.20 1.45 0.21 0.00 0.00 0.00 0.00 61.98 63.84 2wh4 s VAL 43 Cb -0.11 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 2wh4 s VAL 43 CO 0.12 0.14 0.75 0.29 0.00 0.00 0.00 175.10 176.39 2wh4 n LYS 44 N 4.61 0.31 -3.65 2.72 4.76 -0.95 -0.82 118.16 125.15 2wh4 n LYS 44 Ca 0.01 -0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 2wh4 n LYS 44 Cb 0.50 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 2wh4 n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wh4 s GLU 45 N -3.13 0.01 0.25 1.97 -1.05 -1.16 -4.87 118.70 110.70 2wh4 s GLU 45 Ca 0.03 0.01 -0.12 0.00 -0.15 0.00 0.00 54.97 54.74 2wh4 s GLU 45 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2wh4 s GLU 45 CO 0.86 -0.00 0.45 0.00 0.95 0.00 0.00 175.26 177.53 2wh4 s ALA 46 N 0.29 -0.11 0.43 -0.84 0.00 -1.26 -1.35 121.76 118.92 2wh4 s ALA 46 Ca 0.03 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 2wh4 s ALA 46 Cb -0.04 1.10 -0.09 0.00 0.00 0.00 0.00 23.12 24.09 2wh4 s ALA 46 CO -0.15 -0.83 1.05 0.42 0.00 0.00 0.00 175.76 176.25 2wh4 s ILE 47 N -4.00 3.71 0.00 0.00 1.09 0.17 -4.91 121.20 117.26 2wh4 s ILE 47 Ca 0.24 1.23 0.00 0.00 -1.10 0.00 0.00 60.65 61.01 2wh4 s ILE 47 Cb -0.00 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 2wh4 s ILE 47 CO 0.09 -0.08 0.43 -2.65 -0.10 0.00 0.00 174.94 172.64 2wh4 n PRO 48 N -0.39 0.00 -0.05 2.79 -0.02 -1.26 -2.51 135.00 133.56 2wh4 n PRO 48 Ca 0.07 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 2wh4 n PRO 48 Cb 0.50 -0.79 -0.01 0.00 -0.02 0.00 0.00 33.50 33.18 2wh4 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 h ARG 49 N 0.00 -0.07 -1.01 -0.52 2.47 -1.95 -3.48 114.38 109.82 2wh4 h ARG 49 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wh4 h ARG 49 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2wh4 h ARG 49 CO 0.00 -0.05 0.00 0.41 0.56 0.00 0.00 179.97 180.89 2wh4 n GLY 50 N -1.27 0.00 0.20 0.04 0.00 -1.04 -4.74 105.19 98.37 2wh4 n GLY 50 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2wh4 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 h ALA 51 N 0.62 1.24 -3.91 4.61 0.00 -1.39 -3.42 119.26 117.01 2wh4 h ALA 51 Ca 0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 54.91 54.27 2wh4 h ALA 51 Cb 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.45 2wh4 h ALA 51 CO 0.00 0.43 -0.76 0.54 0.00 0.00 0.00 179.25 179.46 2wh4 s VAL 52 N -4.00 0.44 0.62 0.00 0.11 -1.17 -5.05 120.40 111.35 2wh4 s VAL 52 Ca -0.02 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2wh4 s VAL 52 Cb 0.13 -0.37 0.09 0.00 -1.53 0.00 0.00 36.38 34.70 2wh4 s VAL 52 CO 0.69 0.12 0.86 -1.59 -3.33 0.00 0.00 175.10 171.85 2wh4 s LYS 53 N -0.14 2.12 0.63 1.54 0.00 -1.26 -4.46 119.74 118.16 2wh4 s LYS 53 Ca 0.02 -1.22 -0.16 0.00 0.00 0.00 0.00 55.97 54.61 2wh4 s LYS 53 Cb -0.02 -2.49 -0.01 0.00 0.00 0.00 0.00 37.83 35.30 2wh4 s LYS 53 CO -0.00 -1.04 1.11 -1.21 0.00 0.00 0.00 175.35 174.21 2wh4 s GLU 54 N -4.86 2.94 -1.11 1.78 2.02 -1.26 -3.89 118.70 114.32 2wh4 s GLU 54 Ca 0.62 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 57.00 2wh4 s GLU 54 Cb -0.07 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 32.20 2wh4 s GLU 54 CO 0.41 -1.14 0.95 0.41 0.02 0.00 0.00 175.26 175.90 2wh4 n GLY 55 N -0.37 -0.29 3.29 -1.39 0.00 -0.00 -4.95 105.19 101.48 2wh4 n GLY 55 Ca 0.11 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2wh4 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh4 s ASP 56 N -3.57 2.85 0.03 1.61 -0.00 -1.25 -4.86 116.67 111.48 2wh4 s ASP 56 Ca 0.33 -0.51 -0.15 0.00 -0.00 0.00 0.00 52.55 52.22 2wh4 s ASP 56 Cb -0.14 -0.28 -0.06 0.00 -0.00 0.00 0.00 42.92 42.44 2wh4 s ASP 56 CO 0.62 0.25 0.44 -0.69 -0.00 0.00 0.00 175.17 175.78 2wh4 s VAL 57 N -0.71 4.99 0.29 -1.27 1.01 -1.26 -0.53 120.40 122.92 2wh4 s VAL 57 Ca 0.10 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 2wh4 s VAL 57 Cb -0.09 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2wh4 s VAL 57 CO 0.01 0.52 0.48 0.68 0.00 0.00 0.00 175.10 176.80 2wh4 s VAL 58 N -1.14 0.00 0.40 2.92 -7.23 0.35 -4.96 120.40 110.74 2wh4 s VAL 58 Ca 0.26 -1.47 0.08 0.00 -1.81 0.00 0.00 61.98 59.04 2wh4 s VAL 58 Cb -0.17 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2wh4 s VAL 58 CO 0.15 0.00 0.22 -0.54 -0.31 0.00 0.00 175.10 174.62 2wh4 s LYS 59 N -3.56 2.30 -0.25 4.82 1.02 -1.26 0.33 119.74 123.14 2wh4 s LYS 59 Ca 0.25 -1.75 -0.31 0.00 0.02 0.00 0.00 55.97 54.19 2wh4 s LYS 59 Cb -0.01 -2.09 0.17 0.00 -0.52 0.00 0.00 37.83 35.39 2wh4 s LYS 59 CO 0.13 -0.11 1.27 0.00 -0.92 0.00 0.00 175.35 175.72 2wh4 s ALA 60 N -2.55 -2.08 -0.14 5.17 0.00 -0.63 -1.78 121.76 119.74 2wh4 s ALA 60 Ca 0.42 1.79 -0.05 0.00 0.00 0.00 0.00 51.96 54.12 2wh4 s ALA 60 Cb 0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2wh4 s ALA 60 CO 0.24 -0.34 0.04 0.54 0.00 0.00 0.00 175.76 176.23 2wh4 s VAL 61 N -1.38 4.61 0.29 0.00 0.11 -1.07 -0.58 120.40 122.38 2wh4 s VAL 61 Ca 0.07 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 2wh4 s VAL 61 Cb -0.01 -3.02 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 2wh4 s VAL 61 CO -0.05 0.53 1.10 -0.69 -3.33 0.00 0.00 175.10 172.66 2wh4 s VAL 62 N -0.20 3.46 0.00 2.04 1.01 -0.65 -2.37 120.40 123.70 2wh4 s VAL 62 Ca 0.07 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2wh4 s VAL 62 Cb -0.12 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2wh4 s VAL 62 CO 0.02 0.34 0.00 1.33 0.00 0.00 0.00 175.10 176.78 2wh4 n VAL 63 N 1.12 0.00 -3.66 2.92 0.24 0.35 -0.80 118.33 118.50 2wh4 n VAL 63 Ca -0.01 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 2wh4 n VAL 63 Cb 0.45 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.56 2wh4 n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wh4 s ARG 64 N -1.10 0.65 0.38 7.34 0.52 -1.04 -3.23 118.95 122.46 2wh4 s ARG 64 Ca 0.00 0.99 0.08 0.00 -0.52 0.00 0.00 55.73 56.29 2wh4 s ARG 64 Cb 0.00 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.59 2wh4 s ARG 64 CO 0.00 -0.13 -0.03 0.95 0.02 0.00 0.00 175.30 176.11 2wh4 s THR 65 N 1.08 2.13 -0.85 0.02 -4.23 -1.22 -1.58 115.64 110.98 2wh4 s THR 65 Ca -0.06 -2.09 0.22 0.00 -1.18 0.00 0.00 61.69 58.58 2wh4 s THR 65 Cb -0.05 -2.84 -0.20 0.00 1.34 0.00 0.00 72.50 70.75 2wh4 s THR 65 CO -0.10 -0.10 0.94 1.17 -0.54 0.00 0.00 174.62 175.99 2wh4 n LYS 66 N -0.90 0.10 -3.31 3.99 3.00 -1.25 -2.90 118.16 116.90 2wh4 n LYS 66 Ca -0.05 -0.02 -0.41 0.00 -0.00 0.00 0.00 58.31 57.83 2wh4 n LYS 66 Cb 0.65 -1.51 -0.08 0.00 0.00 0.00 0.00 35.03 34.08 2wh4 n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wh4 s LYS 67 N -3.08 3.49 0.21 1.64 2.47 -1.26 -4.54 119.74 118.67 2wh4 s LYS 67 Ca 0.06 -0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 53.81 2wh4 s LYS 67 Cb 0.16 -3.84 -0.16 0.00 -1.46 0.00 0.00 37.83 32.52 2wh4 s LYS 67 CO 0.84 -0.65 0.77 -0.85 0.16 0.00 0.00 175.35 175.62 2wh4 n GLU 68 N 5.61 0.55 -3.72 4.03 0.00 -1.26 -4.60 120.64 121.24 2wh4 n GLU 68 Ca -0.07 0.19 -0.38 0.00 0.00 0.00 0.00 57.16 56.91 2wh4 n GLU 68 Cb 0.49 -1.39 -0.12 0.00 0.00 0.00 0.00 31.44 30.41 2wh4 n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wh4 s ILE 69 N -0.88 4.16 0.05 3.84 1.09 0.20 -4.94 121.20 124.71 2wh4 s ILE 69 Ca 0.65 -0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 59.23 2wh4 s ILE 69 Cb -0.87 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.31 2wh4 s ILE 69 CO 0.57 0.04 1.20 -0.54 -0.10 0.00 0.00 174.94 176.11 2wh4 s LYS 70 N 1.53 4.42 -0.00 2.79 1.02 -1.26 -2.69 119.74 125.55 2wh4 s LYS 70 Ca 0.03 1.75 -0.08 0.00 0.02 0.00 0.00 55.97 57.69 2wh4 s LYS 70 Cb -0.17 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2wh4 s LYS 70 CO 0.04 -0.28 0.28 1.03 -0.92 0.00 0.00 175.35 175.50 2wh4 s ARG 71 N 1.21 3.62 0.63 1.68 1.81 0.77 -4.98 118.95 123.69 2wh4 s ARG 71 Ca 0.58 -0.00 0.38 0.00 -1.72 0.00 0.00 55.73 54.97 2wh4 s ARG 71 Cb -0.29 -3.10 2.14 0.00 -0.45 0.00 0.00 34.95 33.25 2wh4 s ARG 71 CO 0.28 0.66 2.31 -1.00 -0.68 0.00 0.00 175.30 176.87 2wh4 h PRO 72 N 4.16 0.00 0.00 3.54 0.13 -1.96 0.70 132.00 138.57 2wh4 h PRO 72 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2wh4 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wh4 h PRO 72 CO 0.65 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 2wh4 n ASP 73 N -3.40 0.00 0.00 1.44 5.68 -1.26 -4.79 116.55 114.23 2wh4 n ASP 73 Ca -0.03 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 2wh4 n ASP 73 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2wh4 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wh4 n GLY 74 N -0.08 0.79 3.82 6.12 0.00 0.24 -5.03 105.19 111.04 2wh4 n GLY 74 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2wh4 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wh4 s SER 75 N -2.59 4.52 0.04 1.61 1.04 -1.22 -4.93 113.70 112.17 2wh4 s SER 75 Ca 0.00 -1.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.12 2wh4 s SER 75 Cb 0.00 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2wh4 s SER 75 CO 0.00 -0.80 0.28 0.00 0.98 0.00 0.00 173.24 173.70 2wh4 s ALA 76 N -2.69 -0.62 0.06 5.32 0.00 -1.26 -0.16 121.76 122.41 2wh4 s ALA 76 Ca 0.35 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.36 2wh4 s ALA 76 Cb 0.01 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2wh4 s ALA 76 CO 0.20 -0.39 -0.24 -1.50 0.00 0.00 0.00 175.76 173.83 2wh4 s ILE 77 N -2.46 1.95 0.06 0.00 1.10 -1.10 -4.94 121.20 115.82 2wh4 s ILE 77 Ca -0.06 -1.36 -0.08 0.00 -0.51 0.00 0.00 60.65 58.64 2wh4 s ILE 77 Cb -0.01 -1.69 -0.00 0.00 0.15 0.00 0.00 42.46 40.90 2wh4 s ILE 77 CO -0.03 0.26 0.17 -0.60 -2.11 0.00 0.00 174.94 172.62 2wh4 s ARG 78 N -1.33 0.73 0.00 3.50 3.52 -1.26 -0.63 118.95 123.47 2wh4 s ARG 78 Ca 0.10 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2wh4 s ARG 78 Cb -0.10 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 2wh4 s ARG 78 CO 0.02 -0.21 0.00 1.19 -0.81 0.00 0.00 175.30 175.49 2wh4 n PHE 79 N 0.39 0.00 -1.16 5.12 3.01 -1.14 -5.02 117.46 118.65 2wh4 n PHE 79 Ca -0.17 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.34 2wh4 n PHE 79 Cb 0.60 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.15 2wh4 n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wh4 n ASP 80 N 0.00 1.53 -3.59 4.37 9.92 -1.26 -4.74 116.55 122.77 2wh4 n ASP 80 Ca 0.00 -2.51 -0.04 0.00 -0.53 0.00 0.00 54.79 51.71 2wh4 n ASP 80 Cb 0.00 -0.28 -0.02 0.00 -0.64 0.00 0.00 41.12 40.18 2wh4 n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2wh4 s ASP 81 N -1.93 -0.19 -0.34 -2.24 3.84 -1.26 -5.01 116.67 109.54 2wh4 s ASP 81 Ca 0.17 -0.07 -0.04 0.00 -0.00 0.00 0.00 52.55 52.60 2wh4 s ASP 81 Cb 0.15 0.25 0.06 0.00 -1.38 0.00 0.00 42.92 42.00 2wh4 s ASP 81 CO 0.02 -0.43 0.09 0.20 -0.00 0.00 0.00 175.17 175.05 2wh4 s ASN 82 N -2.50 5.17 0.19 2.11 -0.87 -1.25 -3.44 114.94 114.34 2wh4 s ASN 82 Ca 0.09 -1.34 0.08 0.00 -1.57 0.00 0.00 52.86 50.12 2wh4 s ASN 82 Cb 0.00 -1.81 -0.05 0.00 -0.02 0.00 0.00 41.25 39.37 2wh4 s ASN 82 CO -0.05 -0.35 -0.15 0.00 -2.57 0.00 0.00 177.10 173.98 2wh4 s ALA 83 N 1.31 2.00 0.21 0.60 0.00 -0.62 -0.96 121.76 124.30 2wh4 s ALA 83 Ca -0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.25 2wh4 s ALA 83 Cb -0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2wh4 s ALA 83 CO 0.00 0.11 0.34 0.00 0.00 0.00 0.00 175.76 176.21 2wh4 s ALA 84 N -2.72 0.19 -0.09 0.00 0.00 -0.79 -0.49 121.76 117.85 2wh4 s ALA 84 Ca 0.20 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2wh4 s ALA 84 Cb -0.02 1.09 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 2wh4 s ALA 84 CO 0.07 -0.73 -0.23 0.08 0.00 0.00 0.00 175.76 174.95 2wh4 s VAL 85 N -4.04 2.21 0.31 0.00 1.01 -1.00 -0.11 120.40 118.78 2wh4 s VAL 85 Ca 0.25 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2wh4 s VAL 85 Cb 0.02 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 2wh4 s VAL 85 CO 0.07 0.56 1.40 -0.63 0.00 0.00 0.00 175.10 176.50 2wh4 s ILE 86 N 0.19 2.56 0.17 2.22 1.09 -1.26 -2.61 121.20 123.56 2wh4 s ILE 86 Ca -0.14 0.52 0.09 0.00 -1.10 0.00 0.00 60.65 60.03 2wh4 s ILE 86 Cb -0.17 -3.33 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 2wh4 s ILE 86 CO 0.07 0.11 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.27 2wh4 s ILE 87 N -0.67 3.09 0.68 2.92 -1.09 -0.73 -2.38 121.20 123.02 2wh4 s ILE 87 Ca 0.54 -1.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.28 2wh4 s ILE 87 Cb -0.42 -2.51 0.07 0.00 -1.58 0.00 0.00 42.46 38.03 2wh4 s ILE 87 CO 0.51 -0.07 0.96 0.54 -1.23 0.00 0.00 174.94 175.65 2wh4 s ASN 88 N -2.69 4.74 0.00 3.58 4.22 -0.62 -4.19 114.94 119.99 2wh4 s ASN 88 Ca 0.23 0.17 0.00 0.00 -2.14 0.00 0.00 52.86 51.12 2wh4 s ASN 88 Cb -0.09 -0.79 0.00 0.00 1.28 0.00 0.00 41.25 41.64 2wh4 s ASN 88 CO 0.14 -1.59 0.38 0.59 -2.04 0.00 0.00 177.10 174.58 2wh4 n ASN 89 N -2.80 0.34 -1.06 3.54 4.13 -1.26 -1.89 115.26 116.26 2wh4 n ASN 89 Ca 0.10 -1.10 0.04 0.00 1.68 0.00 0.00 54.58 55.30 2wh4 n ASN 89 Cb 0.60 -0.17 0.06 0.00 -1.54 0.00 0.00 39.78 38.73 2wh4 n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wh4 n GLN 90 N -0.06 0.39 -3.30 3.52 3.00 -1.26 -5.03 117.38 114.64 2wh4 n GLN 90 Ca 0.00 -2.11 -0.16 0.00 -0.01 0.00 0.00 57.00 54.73 2wh4 n GLN 90 Cb 0.08 -0.49 0.08 0.00 0.00 0.00 0.00 30.24 29.91 2wh4 n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2wh4 n LEU 91 N -0.02 -5.13 -3.69 1.08 7.99 -0.79 -5.05 117.00 111.39 2wh4 n LEU 91 Ca 0.08 -0.68 -0.11 0.00 -0.01 0.00 0.00 56.01 55.30 2wh4 n LEU 91 Cb 0.95 -3.18 -0.11 0.00 -0.11 0.00 0.00 43.42 40.97 2wh4 n LEU 91 CO -0.03 0.19 0.00 -1.61 -1.51 0.00 0.00 177.39 174.43 2wh4 s GLU 92 N -4.70 0.32 0.17 3.23 2.02 -1.26 -4.90 118.70 113.59 2wh4 s GLU 92 Ca 0.31 0.81 -0.31 0.00 0.02 0.00 0.00 54.97 55.81 2wh4 s GLU 92 Cb -0.04 0.05 -0.17 0.00 0.10 0.00 0.00 34.13 34.07 2wh4 s GLU 92 CO 0.73 -0.20 0.72 -0.35 0.02 0.00 0.00 175.26 176.19 2wh4 n PRO 93 N 4.68 0.23 0.00 0.39 -0.04 -1.26 -1.59 135.00 137.41 2wh4 n PRO 93 Ca -0.18 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2wh4 n PRO 93 Cb 0.53 -1.25 0.39 0.00 -0.04 0.00 0.00 33.50 33.13 2wh4 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh4 n ARG 94 N 1.13 0.71 -2.76 0.54 1.74 -1.00 -4.79 116.66 112.23 2wh4 n ARG 94 Ca 0.17 -0.40 -0.20 0.00 -0.77 0.00 0.00 57.85 56.65 2wh4 n ARG 94 Cb 0.22 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2wh4 n ARG 94 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wh4 s GLY 95 N -2.56 1.85 -0.02 -0.13 0.00 -1.26 -4.83 107.32 100.36 2wh4 s GLY 95 Ca 0.23 -1.41 0.17 0.00 0.00 0.00 0.00 44.72 43.71 2wh4 s GLY 95 CO 0.54 -1.16 0.44 -1.30 0.00 0.00 0.00 173.10 171.61 2wh4 n THR 96 N -2.19 0.00 -3.27 0.90 -2.24 -1.26 -5.01 114.28 101.21 2wh4 n THR 96 Ca 0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2wh4 n THR 96 Cb 0.59 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2wh4 n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wh4 n ARG 97 N -1.98 2.40 0.00 -0.78 5.12 -1.26 -5.03 116.66 115.13 2wh4 n ARG 97 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2wh4 n ARG 97 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2wh4 n ARG 97 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2wh4 n VAL 98 N 0.00 0.00 -4.44 1.55 3.14 -1.26 -4.46 118.33 112.87 2wh4 n VAL 98 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 2wh4 n VAL 98 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 2wh4 n VAL 98 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2wh4 s PHE 99 N -0.91 2.25 0.26 1.45 0.08 0.26 -4.27 117.98 117.10 2wh4 s PHE 99 Ca 0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.69 2wh4 s PHE 99 Cb 0.00 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 2wh4 s PHE 99 CO 0.00 0.60 0.00 0.41 -0.10 0.00 0.00 175.22 176.13 2wh4 n GLY 100 N -0.21 -2.44 0.00 4.36 0.00 -1.26 -4.85 105.19 100.78 2wh4 n GLY 100 Ca -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2wh4 n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh4 n PRO 101 N -3.35 -1.20 -3.55 1.61 -0.02 -1.26 -4.38 135.00 122.85 2wh4 n PRO 101 Ca -0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.39 2wh4 n PRO 101 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.80 2wh4 n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wh4 s VAL 102 N -0.78 0.00 -0.14 -1.45 -7.23 -1.09 -4.93 120.40 104.78 2wh4 s VAL 102 Ca 0.00 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2wh4 s VAL 102 Cb 0.00 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 2wh4 s VAL 102 CO 0.00 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.00 2wh4 s ALA 103 N -2.91 3.72 0.17 1.32 0.00 -1.20 -0.58 121.76 122.27 2wh4 s ALA 103 Ca 0.07 -0.55 0.22 0.00 0.00 0.00 0.00 51.96 51.70 2wh4 s ALA 103 Cb -0.01 -2.20 1.21 0.00 0.00 0.00 0.00 23.12 22.12 2wh4 s ALA 103 CO -0.07 0.31 1.64 0.07 0.00 0.00 0.00 175.76 177.71 2wh4 h ARG 104 N 5.97 0.00 -0.79 0.00 0.11 -1.23 -0.01 114.38 118.43 2wh4 h ARG 104 Ca -0.46 0.00 0.22 0.00 0.10 0.00 0.00 59.98 59.84 2wh4 h ARG 104 Cb 1.18 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.23 2wh4 h ARG 104 CO 0.69 0.00 0.56 0.93 0.10 0.00 0.00 179.97 182.25 2wh4 h GLU 105 N 0.00 0.05 -0.78 0.08 3.07 -1.92 0.84 114.58 115.92 2wh4 h GLU 105 Ca 0.00 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2wh4 h GLU 105 Cb 0.40 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 2wh4 h GLU 105 CO 0.00 0.03 0.47 -0.07 -1.40 0.00 0.00 179.01 178.04 2wh4 h LEU 106 N 0.05 0.73 -0.88 1.33 3.38 -1.32 0.16 115.31 118.77 2wh4 h LEU 106 Ca 0.38 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 2wh4 h LEU 106 Cb 1.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2wh4 h LEU 106 CO -0.02 0.48 0.01 -0.09 0.09 0.00 0.00 178.44 178.90 2wh4 h ARG 107 N 0.87 0.84 -0.94 1.13 2.43 0.48 0.70 114.38 119.89 2wh4 h ARG 107 Ca 0.34 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2wh4 h ARG 107 Cb 0.15 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2wh4 h ARG 107 CO -0.17 0.83 0.62 0.93 -1.51 0.00 0.00 179.97 180.68 2wh4 h GLU 108 N 0.78 1.20 0.00 0.20 4.39 -0.20 -2.60 114.58 118.35 2wh4 h GLU 108 Ca 0.15 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2wh4 h GLU 108 Cb 0.46 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2wh4 h GLU 108 CO 0.02 0.79 -0.79 0.87 -1.16 0.00 0.00 179.01 178.75 2wh4 h LYS 109 N 1.24 0.00 0.00 2.33 1.79 -0.03 -3.48 116.57 118.42 2wh4 h LYS 109 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2wh4 h LYS 109 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2wh4 h LYS 109 CO -0.09 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 179.45 2wh4 n GLY 110 N 1.30 1.59 3.07 3.86 0.00 0.08 -5.04 105.19 110.05 2wh4 n GLY 110 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wh4 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh4 n PHE 111 N -0.71 3.46 0.10 1.61 3.72 -0.30 -4.81 117.46 120.52 2wh4 n PHE 111 Ca 0.00 -2.97 -0.11 0.00 -0.05 0.00 0.00 57.45 54.31 2wh4 n PHE 111 Cb 0.00 -1.83 -0.07 0.00 -0.94 0.00 0.00 39.48 36.64 2wh4 n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wh4 h MET 112 N 6.06 -0.31 -1.13 -1.08 2.86 -1.92 -2.35 114.93 117.05 2wh4 h MET 112 Ca 0.32 0.02 0.33 0.00 -2.06 0.00 0.00 59.70 58.31 2wh4 h MET 112 Cb 0.70 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 2wh4 h MET 112 CO 1.42 0.05 0.81 -0.22 1.06 0.00 0.00 176.91 180.04 2wh4 h LYS 113 N -0.87 0.00 0.05 1.72 1.63 -1.96 0.19 116.57 117.33 2wh4 h LYS 113 Ca -0.03 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wh4 h LYS 113 Cb 0.51 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2wh4 h LYS 113 CO 0.05 0.00 -0.02 0.82 -3.45 0.00 0.00 179.45 176.85 2wh4 h ILE 114 N 0.00 0.52 -0.70 2.00 1.08 -1.96 -3.17 117.51 115.29 2wh4 h ILE 114 Ca 0.54 -1.31 0.15 0.00 -0.39 0.00 0.00 64.86 63.85 2wh4 h ILE 114 Cb 2.16 0.97 -0.13 0.00 -3.07 0.00 0.00 36.82 36.75 2wh4 h ILE 114 CO -0.01 0.17 -0.10 0.58 -0.69 0.00 0.00 178.15 178.10 2wh4 h VAL 115 N -1.00 0.34 -0.12 1.67 2.07 -0.52 -0.75 116.25 117.93 2wh4 h VAL 115 Ca -0.01 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2wh4 h VAL 115 Cb 0.33 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2wh4 h VAL 115 CO 0.01 0.01 -0.30 0.77 0.02 0.00 0.00 177.57 178.08 2wh4 h SER 116 N 0.04 -0.92 0.28 0.57 4.64 -0.84 -2.77 113.55 114.55 2wh4 h SER 116 Ca 0.35 0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.79 2wh4 h SER 116 Cb 0.57 0.40 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2wh4 h SER 116 CO -0.68 -0.34 -0.12 -0.07 -0.87 0.00 0.00 176.83 174.75 2wh4 h LEU 117 N -0.38 0.00 -9.57 5.97 3.38 -1.14 -3.45 115.31 110.12 2wh4 h LEU 117 Ca 0.10 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 2wh4 h LEU 117 Cb 0.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.31 2wh4 h LEU 117 CO -0.34 0.12 0.95 0.00 0.09 0.00 0.00 178.44 179.26 2wh4 s ALA 118 N -4.35 3.78 -1.71 1.53 0.00 -0.68 -4.45 121.76 115.88 2wh4 s ALA 118 Ca -0.03 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2wh4 s ALA 118 Cb 0.14 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2wh4 s ALA 118 CO 0.61 -0.92 0.66 -0.35 0.00 0.00 0.00 175.76 175.76 2wh4 n PRO 119 N 4.50 0.01 0.00 0.00 -0.04 -1.26 -4.61 135.00 133.59 2wh4 n PRO 119 Ca 0.15 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2wh4 n PRO 119 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2wh4 n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wh4 n GLU 120 N -1.15 0.00 -5.09 0.54 2.13 -1.26 -5.02 120.64 110.80 2wh4 n GLU 120 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2wh4 n GLU 120 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2wh4 n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wh4 s VAL 121 N -1.10 2.56 0.00 6.31 1.01 -1.26 -2.68 120.40 125.23 2wh4 s VAL 121 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2wh4 s VAL 121 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2wh4 s VAL 121 CO 0.00 0.58 0.11 0.18 0.00 0.00 0.00 175.10 175.97