#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s ILE 2 N 0.00 4.90 0.03 3.17 -1.09 0.48 -4.79 121.20 123.91 2wh2 s ILE 2 Ca 0.00 0.82 -0.05 0.00 -2.23 0.00 0.00 60.65 59.19 2wh2 s ILE 2 Cb 0.00 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2wh2 s ILE 2 CO 0.00 0.34 0.09 -1.58 -1.23 0.00 0.00 174.94 172.56 2wh2 s GLN 3 N -1.70 0.55 0.20 2.79 0.74 -1.26 0.03 119.66 121.01 2wh2 s GLN 3 Ca 0.34 -0.70 -0.32 0.00 0.05 0.00 0.00 55.36 54.72 2wh2 s GLN 3 Cb -0.16 0.21 -0.14 0.00 1.10 0.00 0.00 33.01 34.03 2wh2 s GLN 3 CO 0.18 -0.13 1.45 -0.35 -0.55 0.00 0.00 175.29 175.88 2wh2 n PRO 4 N 0.93 1.97 0.00 1.67 -0.04 -1.26 -0.93 135.00 137.35 2wh2 n PRO 4 Ca -0.20 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2wh2 n PRO 4 Cb 0.58 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2wh2 n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wh2 n GLN 5 N 2.48 0.00 -2.47 0.54 -0.06 0.50 -4.95 117.38 113.43 2wh2 n GLN 5 Ca 0.14 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.74 2wh2 n GLN 5 Cb 0.30 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.43 2wh2 n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2wh2 s THR 6 N -2.60 3.49 0.21 1.69 2.01 -0.10 -4.69 115.64 115.65 2wh2 s THR 6 Ca 0.00 1.41 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 2wh2 s THR 6 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2wh2 s THR 6 CO 0.00 0.26 0.61 -0.31 -0.69 0.00 0.00 174.62 174.49 2wh2 s TYR 7 N -1.28 3.52 -0.06 4.92 1.51 -1.26 -0.54 117.35 124.16 2wh2 s TYR 7 Ca 0.48 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 2wh2 s TYR 7 Cb -0.30 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.17 2wh2 s TYR 7 CO 0.38 0.31 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.59 2wh2 s LEU 8 N -2.37 1.14 0.24 -1.29 2.01 0.26 -4.78 118.68 113.89 2wh2 s LEU 8 Ca 0.44 -0.15 -0.30 0.00 0.01 0.00 0.00 54.13 54.14 2wh2 s LEU 8 Cb -0.13 -0.51 -0.09 0.00 0.01 0.00 0.00 46.19 45.46 2wh2 s LEU 8 CO 0.20 -0.09 1.11 -0.70 1.01 0.00 0.00 176.35 177.87 2wh2 s GLU 9 N 1.26 4.62 0.02 1.70 2.56 -0.19 -0.88 118.70 127.78 2wh2 s GLU 9 Ca -0.05 1.78 -0.21 0.00 0.00 0.00 0.00 54.97 56.49 2wh2 s GLU 9 Cb -0.14 -3.22 -0.06 0.00 2.00 0.00 0.00 34.13 32.71 2wh2 s GLU 9 CO -0.02 0.15 0.60 0.14 -0.56 0.00 0.00 175.26 175.57 2wh2 s VAL 10 N -0.78 4.85 -0.94 3.70 -7.23 0.53 -2.05 120.40 118.48 2wh2 s VAL 10 Ca 0.47 1.27 0.25 0.00 -1.81 0.00 0.00 61.98 62.16 2wh2 s VAL 10 Cb -0.31 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 32.71 2wh2 s VAL 10 CO 0.39 0.45 1.42 0.00 -0.31 0.00 0.00 175.10 177.04 2wh2 n ALA 11 N 2.49 3.39 -2.46 1.32 0.00 0.59 -4.89 120.51 120.96 2wh2 n ALA 11 Ca -0.07 -0.32 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 2wh2 n ALA 11 Cb 0.51 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 2wh2 n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wh2 s ASP 12 N -3.20 4.54 0.00 0.00 3.84 -1.26 0.80 116.67 121.39 2wh2 s ASP 12 Ca 0.10 -1.29 0.07 0.00 -0.00 0.00 0.00 52.55 51.43 2wh2 s ASP 12 Cb 0.17 0.33 0.22 0.00 -1.38 0.00 0.00 42.92 42.26 2wh2 s ASP 12 CO 0.70 -1.00 1.18 -0.46 -0.00 0.00 0.00 175.17 175.58 2wh2 n ASN 13 N -1.63 1.07 -0.70 2.11 0.23 -1.26 -4.48 115.26 110.60 2wh2 n ASN 13 Ca -0.05 -1.98 0.53 0.00 -0.53 0.00 0.00 54.58 52.56 2wh2 n ASN 13 Cb 0.65 -0.13 0.83 0.00 -2.08 0.00 0.00 39.78 39.04 2wh2 n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2wh2 h THR 14 N 1.18 0.02 0.00 5.53 2.02 -1.93 -3.44 112.91 116.30 2wh2 h THR 14 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wh2 h THR 14 Cb 0.27 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2wh2 h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2wh2 n GLY 15 N -1.92 1.69 3.91 2.16 0.00 -1.26 -1.02 105.19 108.74 2wh2 n GLY 15 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 2wh2 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 s ALA 16 N -2.01 3.46 0.03 4.61 0.00 -1.26 0.36 121.76 126.94 2wh2 s ALA 16 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2wh2 s ALA 16 Cb 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 2wh2 s ALA 16 CO 0.00 -0.18 -0.07 0.54 0.00 0.00 0.00 175.76 176.04 2wh2 n ARG 17 N -1.88 0.11 -4.35 0.00 5.12 -0.47 -4.74 116.66 110.46 2wh2 n ARG 17 Ca -0.00 0.04 -0.23 0.00 -1.93 0.00 0.00 57.85 55.74 2wh2 n ARG 17 Cb 0.55 -0.65 -0.13 0.00 -1.16 0.00 0.00 32.46 31.07 2wh2 n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2wh2 s LYS 18 N -2.06 1.10 0.00 5.56 1.02 -1.09 -0.35 119.74 123.92 2wh2 s LYS 18 Ca -0.06 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 2wh2 s LYS 18 Cb 0.01 -1.26 -0.00 0.00 -0.52 0.00 0.00 37.83 36.05 2wh2 s LYS 18 CO 0.09 0.30 0.08 0.96 -0.92 0.00 0.00 175.35 175.86 2wh2 s ILE 19 N -1.07 0.08 -0.13 2.17 -4.36 -0.06 -2.19 121.20 115.63 2wh2 s ILE 19 Ca 0.05 -0.64 -0.05 0.00 -0.26 0.00 0.00 60.65 59.74 2wh2 s ILE 19 Cb -0.09 -0.33 -0.04 0.00 1.25 0.00 0.00 42.46 43.25 2wh2 s ILE 19 CO 0.03 -0.35 0.07 -0.32 0.24 0.00 0.00 174.94 174.61 2wh2 s MET 20 N -1.15 3.45 -0.28 0.37 -2.45 -0.73 0.89 119.30 119.40 2wh2 s MET 20 Ca -0.13 -0.29 -0.29 0.00 -1.25 0.00 0.00 55.69 53.73 2wh2 s MET 20 Cb -0.07 -3.06 -0.02 0.00 1.25 0.00 0.00 34.83 32.93 2wh2 s MET 20 CO 0.00 0.60 1.60 0.00 1.05 0.00 0.00 175.02 178.27 2wh2 h ILE 22 N 6.31 0.95 -2.61 0.00 1.08 -1.56 0.14 117.51 121.83 2wh2 h ILE 22 Ca -0.32 -2.56 -0.06 0.00 -0.39 0.00 0.00 64.86 61.53 2wh2 h ILE 22 Cb 1.14 2.74 -0.17 0.00 -3.07 0.00 0.00 36.82 37.46 2wh2 h ILE 22 CO 1.02 0.85 0.07 -0.60 -0.69 0.00 0.00 178.15 178.80 2wh2 s ARG 23 N -2.58 1.04 -0.52 2.37 6.06 -1.13 -4.82 118.95 119.37 2wh2 s ARG 23 Ca -0.15 -0.12 -0.07 0.00 -2.50 0.00 0.00 55.73 52.89 2wh2 s ARG 23 Cb 0.06 0.48 0.14 0.00 0.06 0.00 0.00 34.95 35.68 2wh2 s ARG 23 CO 0.85 -0.37 0.37 0.54 -2.50 0.00 0.00 175.30 174.19 2wh2 s VAL 24 N -2.17 4.00 -0.27 7.11 0.11 -1.26 -0.35 120.40 127.57 2wh2 s VAL 24 Ca -0.07 -2.17 -0.28 0.00 -2.93 0.00 0.00 61.98 56.53 2wh2 s VAL 24 Cb -0.01 -3.63 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2wh2 s VAL 24 CO 0.01 -0.80 2.26 0.18 -3.33 0.00 0.00 175.10 173.42 2wh2 n LEU 25 N 4.44 3.10 0.00 2.54 4.77 -0.77 -4.65 117.00 126.42 2wh2 n LEU 25 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2wh2 n LEU 25 Cb 0.41 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2wh2 n LEU 25 CO 0.38 -0.85 0.00 0.29 -1.33 0.00 0.00 177.39 175.88 2wh2 n LYS 26 N 8.82 0.00 0.00 3.23 5.02 -1.26 -4.31 118.16 129.65 2wh2 n LYS 26 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2wh2 n LYS 26 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2wh2 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh2 n GLY 27 N 0.00 -2.02 0.60 0.72 0.00 -1.26 -4.86 105.19 98.37 2wh2 n GLY 27 Ca 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.86 2wh2 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wh2 n SER 28 N 0.00 1.80 -2.17 1.61 3.41 -1.26 -4.49 113.62 112.52 2wh2 n SER 28 Ca 0.00 -1.74 -0.02 0.00 -0.26 0.00 0.00 58.87 56.85 2wh2 n SER 28 Cb 0.00 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2wh2 n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wh2 n ASN 29 N 0.41 -0.76 -4.73 4.04 0.23 -1.26 -5.14 115.26 108.06 2wh2 n ASN 29 Ca 0.16 -1.52 -0.42 0.00 -0.53 0.00 0.00 54.58 52.28 2wh2 n ASN 29 Cb 0.35 0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 38.55 2wh2 n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wh2 s ALA 30 N 0.04 3.74 0.01 -2.53 0.00 -1.26 -4.94 121.76 116.82 2wh2 s ALA 30 Ca 0.04 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 2wh2 s ALA 30 Cb 0.12 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 2wh2 s ALA 30 CO -0.03 -0.79 0.89 0.87 0.00 0.00 0.00 175.76 176.70 2wh2 h LYS 31 N 6.18 -0.44 0.00 0.00 1.79 -1.96 -3.46 116.57 118.68 2wh2 h LYS 31 Ca -0.44 0.03 -0.62 0.00 -2.18 0.00 0.00 60.65 57.44 2wh2 h LYS 31 Cb 1.21 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.87 2wh2 h LYS 31 CO 0.87 -0.29 -0.39 0.66 -1.08 0.00 0.00 179.45 179.22 2wh2 n TYR 32 N -3.64 0.41 -3.79 -1.35 4.01 -1.26 -4.75 117.16 106.79 2wh2 n TYR 32 Ca -0.06 -2.41 -0.13 0.00 -0.16 0.00 0.00 57.90 55.15 2wh2 n TYR 32 Cb 0.18 -0.38 -0.13 0.00 -0.31 0.00 0.00 39.34 38.70 2wh2 n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wh2 s ALA 33 N -2.83 -0.35 0.41 -0.72 0.00 0.11 -4.87 121.76 113.50 2wh2 s ALA 33 Ca 0.13 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.65 2wh2 s ALA 33 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2wh2 s ALA 33 CO 0.08 -0.10 0.09 -2.37 0.00 0.00 0.00 175.76 173.46 2wh2 n THR 34 N 3.42 0.00 -1.29 0.00 5.66 -1.26 0.18 114.28 120.99 2wh2 n THR 34 Ca -0.17 -2.21 -0.50 0.00 -3.05 0.00 0.00 64.05 58.11 2wh2 n THR 34 Cb 0.57 0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 69.94 2wh2 n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wh2 n VAL 35 N -0.97 0.00 -0.42 1.08 0.31 -1.26 -1.07 118.33 115.99 2wh2 n VAL 35 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2wh2 n VAL 35 Cb 0.58 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 2wh2 n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh2 n GLY 36 N 2.46 0.75 3.91 2.92 0.00 0.15 -4.86 105.19 110.53 2wh2 n GLY 36 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2wh2 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh2 s ASP 37 N -2.51 6.41 0.04 1.61 1.01 -0.23 -4.84 116.67 118.15 2wh2 s ASP 37 Ca 0.00 0.39 -0.08 0.00 0.71 0.00 0.00 52.55 53.57 2wh2 s ASP 37 Cb 0.00 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.87 2wh2 s ASP 37 CO 0.00 0.10 0.33 -0.69 0.21 0.00 0.00 175.17 175.11 2wh2 s VAL 38 N -1.62 5.21 -0.04 -1.27 1.01 -1.26 -1.70 120.40 120.74 2wh2 s VAL 38 Ca 0.38 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 2wh2 s VAL 38 Cb -0.12 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2wh2 s VAL 38 CO 0.27 0.34 0.17 0.27 0.00 0.00 0.00 175.10 176.15 2wh2 s ILE 39 N -1.33 0.04 0.53 2.22 -4.36 0.17 -1.85 121.20 116.62 2wh2 s ILE 39 Ca 0.30 -0.32 -0.07 0.00 -0.26 0.00 0.00 60.65 60.29 2wh2 s ILE 39 Cb -0.14 -0.35 -0.04 0.00 1.25 0.00 0.00 42.46 43.18 2wh2 s ILE 39 CO 0.17 -0.18 0.87 -0.69 0.24 0.00 0.00 174.94 175.35 2wh2 s VAL 40 N -0.61 4.84 0.19 8.37 1.01 0.52 -1.62 120.40 133.09 2wh2 s VAL 40 Ca -0.07 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 2wh2 s VAL 40 Cb -0.04 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2wh2 s VAL 40 CO 0.01 -0.96 0.81 0.00 0.00 0.00 0.00 175.10 174.96 2wh2 s ALA 41 N -2.90 -1.49 0.09 5.51 0.00 0.12 -1.44 121.76 121.65 2wh2 s ALA 41 Ca 0.50 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.62 2wh2 s ALA 41 Cb -0.11 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 2wh2 s ALA 41 CO 0.48 -0.97 -0.10 0.45 0.00 0.00 0.00 175.76 175.63 2wh2 s SER 42 N -2.86 4.41 -0.16 0.00 0.15 -0.45 -0.12 113.70 114.68 2wh2 s SER 42 Ca 0.09 -0.35 -0.22 0.00 0.70 0.00 0.00 55.95 56.17 2wh2 s SER 42 Cb -0.03 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2wh2 s SER 42 CO 0.01 0.20 0.68 -0.69 1.20 0.00 0.00 173.24 174.64 2wh2 s VAL 43 N -1.17 5.00 -0.64 4.45 1.01 0.29 -1.77 120.40 127.58 2wh2 s VAL 43 Ca 0.21 1.33 0.22 0.00 0.00 0.00 0.00 61.98 63.73 2wh2 s VAL 43 Cb -0.11 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 2wh2 s VAL 43 CO 0.12 0.13 0.79 0.29 0.00 0.00 0.00 175.10 176.44 2wh2 n LYS 44 N 4.75 0.25 -3.65 2.72 4.76 -0.93 -0.38 118.16 125.68 2wh2 n LYS 44 Ca -0.00 -0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2wh2 n LYS 44 Cb 0.50 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 2wh2 n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wh2 s GLU 45 N -3.19 0.01 0.25 1.97 -1.05 -1.16 -4.87 118.70 110.65 2wh2 s GLU 45 Ca 0.02 0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.74 2wh2 s GLU 45 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2wh2 s GLU 45 CO 0.87 -0.00 0.45 0.00 0.95 0.00 0.00 175.26 177.53 2wh2 s ALA 46 N 0.34 -0.04 0.42 -0.84 0.00 -1.26 -1.37 121.76 119.01 2wh2 s ALA 46 Ca 0.03 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 2wh2 s ALA 46 Cb -0.04 1.10 -0.09 0.00 0.00 0.00 0.00 23.12 24.09 2wh2 s ALA 46 CO -0.14 -0.83 1.07 0.42 0.00 0.00 0.00 175.76 176.28 2wh2 s ILE 47 N -3.92 3.63 0.00 0.00 1.09 0.16 -4.91 121.20 117.24 2wh2 s ILE 47 Ca 0.24 1.20 0.00 0.00 -1.10 0.00 0.00 60.65 60.99 2wh2 s ILE 47 Cb -0.00 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.80 2wh2 s ILE 47 CO 0.10 -0.04 0.41 -2.65 -0.10 0.00 0.00 174.94 172.66 2wh2 n PRO 48 N -0.30 0.00 -0.06 2.79 -0.02 -1.26 -2.42 135.00 133.73 2wh2 n PRO 48 Ca 0.06 0.41 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2wh2 n PRO 48 Cb 0.50 -0.76 -0.01 0.00 -0.02 0.00 0.00 33.50 33.21 2wh2 n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh2 h ARG 49 N 0.00 -0.06 -1.05 -0.52 2.47 -1.95 -3.48 114.38 109.80 2wh2 h ARG 49 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wh2 h ARG 49 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2wh2 h ARG 49 CO 0.00 -0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.90 2wh2 n GLY 50 N -1.28 0.00 0.19 0.04 0.00 -1.02 -4.74 105.19 98.39 2wh2 n GLY 50 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2wh2 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 h ALA 51 N 0.64 1.25 -3.91 4.61 0.00 -1.38 -3.42 119.26 117.05 2wh2 h ALA 51 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 54.91 54.21 2wh2 h ALA 51 Cb 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 17.44 2wh2 h ALA 51 CO 0.00 0.47 -0.76 0.54 0.00 0.00 0.00 179.25 179.50 2wh2 s VAL 52 N -4.01 0.52 0.63 0.00 0.11 -1.16 -5.05 120.40 111.45 2wh2 s VAL 52 Ca -0.02 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 2wh2 s VAL 52 Cb 0.13 -0.45 0.09 0.00 -1.53 0.00 0.00 36.38 34.63 2wh2 s VAL 52 CO 0.71 0.15 0.88 -1.59 -3.33 0.00 0.00 175.10 171.92 2wh2 s LYS 53 N -0.06 2.07 0.64 1.54 0.00 -1.26 -4.45 119.74 118.21 2wh2 s LYS 53 Ca 0.01 -1.16 -0.16 0.00 0.00 0.00 0.00 55.97 54.66 2wh2 s LYS 53 Cb -0.04 -2.46 -0.01 0.00 0.00 0.00 0.00 37.83 35.33 2wh2 s LYS 53 CO -0.00 -1.09 1.12 -1.21 0.00 0.00 0.00 175.35 174.16 2wh2 s GLU 54 N -4.91 2.89 -1.10 1.78 2.02 -1.26 -3.89 118.70 114.22 2wh2 s GLU 54 Ca 0.63 1.44 -0.04 0.00 0.02 0.00 0.00 54.97 57.02 2wh2 s GLU 54 Cb -0.07 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2wh2 s GLU 54 CO 0.41 -1.19 0.95 0.41 0.02 0.00 0.00 175.26 175.86 2wh2 n GLY 55 N -0.37 -0.30 3.29 -1.39 0.00 0.49 -4.94 105.19 101.97 2wh2 n GLY 55 Ca 0.11 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2wh2 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wh2 s ASP 56 N -3.68 2.79 0.02 1.61 -0.00 -1.25 -4.84 116.67 111.31 2wh2 s ASP 56 Ca 0.28 -0.52 -0.16 0.00 -0.00 0.00 0.00 52.55 52.15 2wh2 s ASP 56 Cb -0.12 -0.26 -0.06 0.00 -0.00 0.00 0.00 42.92 42.48 2wh2 s ASP 56 CO 0.63 0.23 0.46 -0.69 -0.00 0.00 0.00 175.17 175.79 2wh2 s VAL 57 N -0.73 4.94 0.28 -1.27 1.01 -1.26 -0.55 120.40 122.83 2wh2 s VAL 57 Ca 0.09 0.95 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 2wh2 s VAL 57 Cb -0.09 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 2wh2 s VAL 57 CO 0.01 0.57 0.44 0.68 0.00 0.00 0.00 175.10 176.80 2wh2 s VAL 58 N -1.06 0.00 0.39 2.92 -7.23 0.83 -4.96 120.40 111.29 2wh2 s VAL 58 Ca 0.25 -1.55 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2wh2 s VAL 58 Cb -0.17 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2wh2 s VAL 58 CO 0.15 0.00 0.20 -0.54 -0.31 0.00 0.00 175.10 174.60 2wh2 s LYS 59 N -3.62 2.31 -0.25 4.82 1.02 -1.26 0.15 119.74 122.91 2wh2 s LYS 59 Ca 0.27 -1.72 -0.31 0.00 0.02 0.00 0.00 55.97 54.24 2wh2 s LYS 59 Cb 0.00 -2.10 0.17 0.00 -0.52 0.00 0.00 37.83 35.39 2wh2 s LYS 59 CO 0.14 -0.07 1.29 0.00 -0.92 0.00 0.00 175.35 175.79 2wh2 s ALA 60 N -2.53 -2.09 -0.14 5.17 0.00 -0.64 -1.60 121.76 119.92 2wh2 s ALA 60 Ca 0.41 1.81 -0.05 0.00 0.00 0.00 0.00 51.96 54.13 2wh2 s ALA 60 Cb 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2wh2 s ALA 60 CO 0.23 -0.34 0.05 0.54 0.00 0.00 0.00 175.76 176.25 2wh2 s VAL 61 N -1.35 4.70 0.27 0.00 0.11 -1.09 -0.65 120.40 122.39 2wh2 s VAL 61 Ca 0.08 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.75 2wh2 s VAL 61 Cb -0.01 -3.05 -0.09 0.00 -1.53 0.00 0.00 36.38 31.69 2wh2 s VAL 61 CO -0.05 0.54 1.10 -0.69 -3.33 0.00 0.00 175.10 172.67 2wh2 s VAL 62 N -0.33 3.51 0.00 2.04 1.01 -0.69 -2.30 120.40 123.64 2wh2 s VAL 62 Ca 0.08 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2wh2 s VAL 62 Cb -0.12 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2wh2 s VAL 62 CO 0.02 0.35 0.00 1.33 0.00 0.00 0.00 175.10 176.80 2wh2 n VAL 63 N 1.30 0.00 -3.67 2.92 0.24 0.54 -0.67 118.33 118.99 2wh2 n VAL 63 Ca -0.01 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2wh2 n VAL 63 Cb 0.45 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 2wh2 n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2wh2 s ARG 64 N -1.10 0.63 0.36 7.34 0.52 -0.99 -3.24 118.95 122.46 2wh2 s ARG 64 Ca 0.00 0.94 0.08 0.00 -0.52 0.00 0.00 55.73 56.23 2wh2 s ARG 64 Cb 0.00 0.20 -0.07 0.00 0.52 0.00 0.00 34.95 35.60 2wh2 s ARG 64 CO 0.00 -0.12 -0.05 0.95 0.02 0.00 0.00 175.30 176.10 2wh2 s THR 65 N 0.96 2.06 -0.75 0.02 -4.23 -1.22 -1.67 115.64 110.81 2wh2 s THR 65 Ca -0.05 -2.12 0.22 0.00 -1.18 0.00 0.00 61.69 58.56 2wh2 s THR 65 Cb -0.05 -2.75 -0.18 0.00 1.34 0.00 0.00 72.50 70.86 2wh2 s THR 65 CO -0.09 -0.14 0.94 1.17 -0.54 0.00 0.00 174.62 175.97 2wh2 n LYS 66 N -0.82 0.18 -3.26 3.99 3.00 -1.25 -2.86 118.16 117.14 2wh2 n LYS 66 Ca -0.05 -0.03 -0.42 0.00 -0.00 0.00 0.00 58.31 57.82 2wh2 n LYS 66 Cb 0.65 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 34.07 2wh2 n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2wh2 s LYS 67 N -3.13 3.52 0.26 1.64 2.47 -1.26 -4.54 119.74 118.71 2wh2 s LYS 67 Ca 0.05 -0.28 -0.27 0.00 -1.56 0.00 0.00 55.97 53.91 2wh2 s LYS 67 Cb 0.15 -3.84 -0.15 0.00 -1.46 0.00 0.00 37.83 32.53 2wh2 s LYS 67 CO 0.83 -0.68 0.73 -0.85 0.16 0.00 0.00 175.35 175.54 2wh2 n GLU 68 N 5.73 0.65 -3.71 4.03 0.00 -1.26 -4.62 120.64 121.45 2wh2 n GLU 68 Ca -0.05 0.23 -0.38 0.00 0.00 0.00 0.00 57.16 56.95 2wh2 n GLU 68 Cb 0.49 -1.42 -0.12 0.00 0.00 0.00 0.00 31.44 30.39 2wh2 n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2wh2 s ILE 69 N -1.09 4.11 0.10 3.84 1.09 0.03 -4.95 121.20 124.33 2wh2 s ILE 69 Ca 0.61 -0.86 -0.31 0.00 -1.10 0.00 0.00 60.65 59.00 2wh2 s ILE 69 Cb -0.79 -3.23 -0.07 0.00 -1.06 0.00 0.00 42.46 37.31 2wh2 s ILE 69 CO 0.58 -0.08 1.24 -0.54 -0.10 0.00 0.00 174.94 176.03 2wh2 s LYS 70 N 1.49 4.42 -0.02 2.79 1.02 -1.26 -2.77 119.74 125.41 2wh2 s LYS 70 Ca 0.01 1.85 -0.06 0.00 0.02 0.00 0.00 55.97 57.80 2wh2 s LYS 70 Cb -0.18 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2wh2 s LYS 70 CO 0.04 -0.25 0.23 1.03 -0.92 0.00 0.00 175.35 175.48 2wh2 s ARG 71 N 0.77 3.53 0.62 1.68 1.81 0.12 -4.98 118.95 122.50 2wh2 s ARG 71 Ca 0.58 -0.14 0.36 0.00 -1.72 0.00 0.00 55.73 54.82 2wh2 s ARG 71 Cb -0.32 -3.10 2.06 0.00 -0.45 0.00 0.00 34.95 33.15 2wh2 s ARG 71 CO 0.31 0.68 2.30 -1.00 -0.68 0.00 0.00 175.30 176.91 2wh2 h PRO 72 N 4.10 0.00 0.00 3.54 0.13 -1.96 0.58 132.00 138.38 2wh2 h PRO 72 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2wh2 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wh2 h PRO 72 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 2wh2 n ASP 73 N -3.53 0.00 0.00 1.44 5.68 -1.26 -4.78 116.55 114.10 2wh2 n ASP 73 Ca -0.03 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2wh2 n ASP 73 Cb 0.08 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2wh2 n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wh2 n GLY 74 N -0.17 0.79 3.81 6.12 0.00 0.19 -5.03 105.19 110.89 2wh2 n GLY 74 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2wh2 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wh2 s SER 75 N -2.61 4.51 0.03 1.61 1.04 -1.21 -4.93 113.70 112.15 2wh2 s SER 75 Ca 0.00 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.13 2wh2 s SER 75 Cb 0.00 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2wh2 s SER 75 CO 0.00 -0.79 0.24 0.00 0.98 0.00 0.00 173.24 173.68 2wh2 s ALA 76 N -2.68 -0.52 0.04 5.32 0.00 -1.26 0.15 121.76 122.81 2wh2 s ALA 76 Ca 0.35 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2wh2 s ALA 76 Cb 0.01 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2wh2 s ALA 76 CO 0.20 -0.36 -0.23 -1.50 0.00 0.00 0.00 175.76 173.87 2wh2 s ILE 77 N -2.39 1.85 0.05 0.00 1.10 -1.12 -4.95 121.20 115.75 2wh2 s ILE 77 Ca -0.06 -1.27 -0.09 0.00 -0.51 0.00 0.00 60.65 58.72 2wh2 s ILE 77 Cb -0.02 -1.60 0.00 0.00 0.15 0.00 0.00 42.46 41.00 2wh2 s ILE 77 CO -0.03 0.27 0.18 -0.60 -2.11 0.00 0.00 174.94 172.65 2wh2 s ARG 78 N -1.20 0.71 0.00 3.50 3.52 -1.26 -0.79 118.95 123.42 2wh2 s ARG 78 Ca 0.09 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.97 2wh2 s ARG 78 Cb -0.09 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 2wh2 s ARG 78 CO 0.02 -0.20 0.00 1.19 -0.81 0.00 0.00 175.30 175.50 2wh2 n PHE 79 N 0.55 0.00 -1.07 5.12 3.01 -1.13 -5.03 117.46 118.90 2wh2 n PHE 79 Ca -0.18 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.33 2wh2 n PHE 79 Cb 0.60 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.13 2wh2 n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wh2 n ASP 80 N 0.00 1.51 -3.60 4.37 9.92 -1.26 -4.74 116.55 122.75 2wh2 n ASP 80 Ca 0.00 -2.42 -0.04 0.00 -0.53 0.00 0.00 54.79 51.79 2wh2 n ASP 80 Cb 0.00 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 2wh2 n ASP 80 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2wh2 s ASP 81 N -1.80 -0.20 -0.33 -2.24 3.84 -1.26 -5.01 116.67 109.67 2wh2 s ASP 81 Ca 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 52.55 52.56 2wh2 s ASP 81 Cb 0.13 0.29 0.06 0.00 -1.38 0.00 0.00 42.92 42.02 2wh2 s ASP 81 CO 0.01 -0.49 0.07 0.20 -0.00 0.00 0.00 175.17 174.96 2wh2 s ASN 82 N -2.58 5.10 0.18 2.11 -0.87 -1.25 -3.41 114.94 114.23 2wh2 s ASN 82 Ca 0.10 -1.37 0.08 0.00 -1.57 0.00 0.00 52.86 50.09 2wh2 s ASN 82 Cb 0.00 -1.79 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 2wh2 s ASN 82 CO -0.05 -0.34 -0.16 0.00 -2.57 0.00 0.00 177.10 173.99 2wh2 s ALA 83 N 1.28 1.94 0.22 0.60 0.00 -0.67 -1.02 121.76 124.12 2wh2 s ALA 83 Ca -0.02 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.31 2wh2 s ALA 83 Cb -0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wh2 s ALA 83 CO -0.00 0.13 0.32 0.00 0.00 0.00 0.00 175.76 176.21 2wh2 s ALA 84 N -2.54 0.37 -0.10 0.00 0.00 -0.87 -0.34 121.76 118.28 2wh2 s ALA 84 Ca 0.18 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.95 2wh2 s ALA 84 Cb -0.03 1.20 -0.00 0.00 0.00 0.00 0.00 23.12 24.28 2wh2 s ALA 84 CO 0.06 -0.73 -0.23 0.08 0.00 0.00 0.00 175.76 174.94 2wh2 s VAL 85 N -4.08 2.19 0.32 0.00 1.01 -0.97 -0.30 120.40 118.57 2wh2 s VAL 85 Ca 0.29 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2wh2 s VAL 85 Cb 0.03 -1.84 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 2wh2 s VAL 85 CO 0.10 0.56 1.41 -0.63 0.00 0.00 0.00 175.10 176.54 2wh2 s ILE 86 N 0.30 2.47 0.16 2.22 1.09 -1.26 -2.66 121.20 123.52 2wh2 s ILE 86 Ca -0.17 0.45 0.09 0.00 -1.10 0.00 0.00 60.65 59.92 2wh2 s ILE 86 Cb -0.17 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2wh2 s ILE 86 CO 0.08 0.09 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.27 2wh2 s ILE 87 N -0.74 3.11 0.65 2.92 -1.09 -0.63 -2.43 121.20 123.00 2wh2 s ILE 87 Ca 0.54 -1.61 -0.04 0.00 -2.23 0.00 0.00 60.65 57.31 2wh2 s ILE 87 Cb -0.43 -2.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.99 2wh2 s ILE 87 CO 0.53 -0.05 0.93 0.54 -1.23 0.00 0.00 174.94 175.65 2wh2 s ASN 88 N -2.64 4.96 0.00 3.58 4.22 -0.56 -4.17 114.94 120.32 2wh2 s ASN 88 Ca 0.23 0.26 0.00 0.00 -2.14 0.00 0.00 52.86 51.21 2wh2 s ASN 88 Cb -0.09 -0.98 0.00 0.00 1.28 0.00 0.00 41.25 41.46 2wh2 s ASN 88 CO 0.14 -1.45 0.33 0.59 -2.04 0.00 0.00 177.10 174.67 2wh2 n ASN 89 N -2.71 0.28 -1.00 3.54 4.13 -1.26 -1.69 115.26 116.54 2wh2 n ASN 89 Ca 0.08 -0.94 0.04 0.00 1.68 0.00 0.00 54.58 55.44 2wh2 n ASN 89 Cb 0.60 -0.14 0.06 0.00 -1.54 0.00 0.00 39.78 38.77 2wh2 n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wh2 n GLN 90 N -0.05 0.42 -3.26 3.52 3.00 -1.26 -5.02 117.38 114.72 2wh2 n GLN 90 Ca 0.00 -2.10 -0.15 0.00 -0.01 0.00 0.00 57.00 54.74 2wh2 n GLN 90 Cb 0.07 -0.55 0.07 0.00 0.00 0.00 0.00 30.24 29.84 2wh2 n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2wh2 n LEU 91 N -0.08 -4.99 -3.69 1.08 7.99 -0.68 -5.05 117.00 111.57 2wh2 n LEU 91 Ca 0.08 -0.66 -0.11 0.00 -0.01 0.00 0.00 56.01 55.32 2wh2 n LEU 91 Cb 0.92 -3.10 -0.11 0.00 -0.11 0.00 0.00 43.42 41.02 2wh2 n LEU 91 CO -0.03 0.19 -0.01 -1.61 -1.51 0.00 0.00 177.39 174.42 2wh2 s GLU 92 N -4.69 0.31 0.18 3.23 2.02 -1.26 -4.90 118.70 113.59 2wh2 s GLU 92 Ca 0.29 0.78 -0.30 0.00 0.02 0.00 0.00 54.97 55.76 2wh2 s GLU 92 Cb -0.04 0.03 -0.17 0.00 0.10 0.00 0.00 34.13 34.05 2wh2 s GLU 92 CO 0.71 -0.20 0.71 -0.35 0.02 0.00 0.00 175.26 176.16 2wh2 n PRO 93 N 4.63 0.24 0.00 0.39 -0.04 -1.26 -1.49 135.00 137.47 2wh2 n PRO 93 Ca -0.18 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2wh2 n PRO 93 Cb 0.53 -1.24 0.38 0.00 -0.04 0.00 0.00 33.50 33.13 2wh2 n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh2 n ARG 94 N 1.10 0.60 -2.73 0.54 1.74 -1.02 -4.78 116.66 112.10 2wh2 n ARG 94 Ca 0.17 -0.33 -0.20 0.00 -0.77 0.00 0.00 57.85 56.72 2wh2 n ARG 94 Cb 0.23 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.21 2wh2 n ARG 94 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wh2 s GLY 95 N -2.63 1.85 -0.02 -0.13 0.00 -1.26 -4.84 107.32 100.28 2wh2 s GLY 95 Ca 0.21 -1.47 0.17 0.00 0.00 0.00 0.00 44.72 43.64 2wh2 s GLY 95 CO 0.56 -1.18 0.42 -1.30 0.00 0.00 0.00 173.10 171.60 2wh2 n THR 96 N -2.26 0.00 -3.31 0.90 -2.24 -1.26 -5.01 114.28 101.10 2wh2 n THR 96 Ca 0.09 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wh2 n THR 96 Cb 0.60 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2wh2 n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wh2 n ARG 97 N -2.03 2.35 -3.65 -0.78 5.12 -1.26 -5.02 116.66 111.39 2wh2 n ARG 97 Ca -0.03 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.87 2wh2 n ARG 97 Cb 0.43 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.66 2wh2 n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wh2 s VAL 98 N -0.13 0.00 0.21 1.55 0.11 -1.26 -4.43 120.40 116.45 2wh2 s VAL 98 Ca 0.00 0.00 0.11 0.00 -2.93 0.00 0.00 61.98 59.16 2wh2 s VAL 98 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2wh2 s VAL 98 CO 0.00 0.00 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.20 2wh2 s PHE 99 N 0.02 2.15 0.23 1.54 0.08 0.24 -4.28 117.98 117.96 2wh2 s PHE 99 Ca 0.08 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2wh2 s PHE 99 Cb -0.05 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2wh2 s PHE 99 CO -0.16 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.89 2wh2 n GLY 100 N -0.05 -2.26 0.00 4.36 0.00 -1.26 -4.85 105.19 101.13 2wh2 n GLY 100 Ca -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wh2 n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh2 n PRO 101 N -3.34 -1.68 -3.55 1.61 -0.02 -1.26 -4.35 135.00 122.41 2wh2 n PRO 101 Ca -0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 2wh2 n PRO 101 Cb 0.32 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.78 2wh2 n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wh2 s VAL 102 N -0.90 0.00 -0.12 -1.45 -7.23 -1.10 -4.93 120.40 104.67 2wh2 s VAL 102 Ca 0.00 -0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.98 2wh2 s VAL 102 Cb 0.00 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2wh2 s VAL 102 CO 0.00 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.03 2wh2 s ALA 103 N -2.95 3.73 0.12 1.32 0.00 -1.20 -0.43 121.76 122.35 2wh2 s ALA 103 Ca 0.07 -0.50 0.25 0.00 0.00 0.00 0.00 51.96 51.78 2wh2 s ALA 103 Cb -0.01 -2.21 1.35 0.00 0.00 0.00 0.00 23.12 22.25 2wh2 s ALA 103 CO -0.07 0.37 1.74 0.07 0.00 0.00 0.00 175.76 177.87 2wh2 h ARG 104 N 5.63 0.00 -0.84 0.00 0.11 -1.21 -0.61 114.38 117.46 2wh2 h ARG 104 Ca -0.48 0.00 0.24 0.00 0.10 0.00 0.00 59.98 59.84 2wh2 h ARG 104 Cb 1.20 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.24 2wh2 h ARG 104 CO 0.66 0.00 0.60 0.93 0.10 0.00 0.00 179.97 182.27 2wh2 h GLU 105 N 0.00 0.02 -0.77 0.08 3.07 -1.92 0.89 114.58 115.95 2wh2 h GLU 105 Ca 0.00 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2wh2 h GLU 105 Cb 0.23 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.08 2wh2 h GLU 105 CO 0.00 0.02 0.47 -0.07 -1.40 0.00 0.00 179.01 178.02 2wh2 h LEU 106 N 0.02 0.73 -0.92 1.33 3.38 -1.43 0.19 115.31 118.61 2wh2 h LEU 106 Ca 0.40 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.31 2wh2 h LEU 106 Cb 1.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2wh2 h LEU 106 CO -0.02 0.48 -0.12 -0.09 0.09 0.00 0.00 178.44 178.78 2wh2 h ARG 107 N 0.87 0.67 -0.93 1.13 2.43 0.58 0.48 114.38 119.60 2wh2 h ARG 107 Ca 0.33 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wh2 h ARG 107 Cb 0.14 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2wh2 h ARG 107 CO -0.16 0.77 0.60 0.93 -1.51 0.00 0.00 179.97 180.59 2wh2 h GLU 108 N 0.61 1.24 0.00 0.20 4.39 -0.16 -2.72 114.58 118.14 2wh2 h GLU 108 Ca 0.11 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 2wh2 h GLU 108 Cb 0.55 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2wh2 h GLU 108 CO 0.03 0.84 -0.73 0.87 -1.16 0.00 0.00 179.01 178.86 2wh2 h LYS 109 N 1.27 0.00 0.00 2.33 1.79 -0.05 -3.48 116.57 118.43 2wh2 h LYS 109 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2wh2 h LYS 109 Cb -0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2wh2 h LYS 109 CO -0.07 0.73 0.00 0.41 -1.08 0.00 0.00 179.45 179.44 2wh2 n GLY 110 N 1.26 1.59 3.12 3.86 0.00 -0.01 -5.04 105.19 109.97 2wh2 n GLY 110 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2wh2 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh2 n PHE 111 N -0.74 3.64 0.09 1.61 3.72 -0.24 -4.81 117.46 120.73 2wh2 n PHE 111 Ca 0.00 -3.05 -0.11 0.00 -0.05 0.00 0.00 57.45 54.25 2wh2 n PHE 111 Cb 0.00 -1.82 -0.07 0.00 -0.94 0.00 0.00 39.48 36.65 2wh2 n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2wh2 h MET 112 N 6.15 -0.29 -1.16 -1.08 2.86 -1.92 -2.40 114.93 117.09 2wh2 h MET 112 Ca 0.30 0.02 0.33 0.00 -2.06 0.00 0.00 59.70 58.30 2wh2 h MET 112 Cb 0.72 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 2wh2 h MET 112 CO 1.38 0.07 0.82 -0.22 1.06 0.00 0.00 176.91 180.03 2wh2 h LYS 113 N -0.90 0.03 0.10 1.72 1.63 -1.96 0.20 116.57 117.39 2wh2 h LYS 113 Ca -0.03 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2wh2 h LYS 113 Cb 0.50 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2wh2 h LYS 113 CO 0.05 0.02 -0.05 0.82 -3.45 0.00 0.00 179.45 176.85 2wh2 h ILE 114 N 0.03 0.26 -0.80 2.00 1.08 -1.96 -3.15 117.51 114.98 2wh2 h ILE 114 Ca 0.56 -1.07 0.18 0.00 -0.39 0.00 0.00 64.86 64.14 2wh2 h ILE 114 Cb 2.17 0.47 -0.14 0.00 -3.07 0.00 0.00 36.82 36.24 2wh2 h ILE 114 CO -0.03 0.08 -0.03 0.58 -0.69 0.00 0.00 178.15 178.06 2wh2 h VAL 115 N -1.02 0.27 -0.07 1.67 2.07 -0.58 -0.07 116.25 118.52 2wh2 h VAL 115 Ca -0.01 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2wh2 h VAL 115 Cb 0.23 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2wh2 h VAL 115 CO 0.02 0.01 -0.22 0.77 0.02 0.00 0.00 177.57 178.17 2wh2 h SER 116 N 0.07 -0.68 0.25 0.57 4.64 -0.80 -2.94 113.55 114.66 2wh2 h SER 116 Ca 0.43 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.82 2wh2 h SER 116 Cb 0.77 0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wh2 h SER 116 CO -0.73 -0.28 -0.16 -0.07 -0.87 0.00 0.00 176.83 174.72 2wh2 h LEU 117 N -0.31 0.00 -9.56 5.97 3.38 -0.99 -3.45 115.31 110.35 2wh2 h LEU 117 Ca 0.08 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.53 2wh2 h LEU 117 Cb 0.43 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.22 2wh2 h LEU 117 CO -0.25 0.16 1.02 0.00 0.09 0.00 0.00 178.44 179.45 2wh2 s ALA 118 N -4.44 3.80 -1.68 1.53 0.00 -0.70 -4.45 121.76 115.82 2wh2 s ALA 118 Ca -0.03 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2wh2 s ALA 118 Cb 0.15 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2wh2 s ALA 118 CO 0.65 -1.03 0.65 -0.35 0.00 0.00 0.00 175.76 175.68 2wh2 n PRO 119 N 4.86 0.00 0.00 0.00 -0.04 -1.26 -4.61 135.00 133.96 2wh2 n PRO 119 Ca 0.16 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2wh2 n PRO 119 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2wh2 n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wh2 n GLU 120 N -1.15 0.00 -5.14 0.54 2.13 -1.26 -5.02 120.64 110.74 2wh2 n GLU 120 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 2wh2 n GLU 120 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 2wh2 n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wh2 s VAL 121 N -1.18 2.46 0.00 6.31 1.01 -1.26 -2.72 120.40 125.02 2wh2 s VAL 121 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2wh2 s VAL 121 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2wh2 s VAL 121 CO 0.00 0.58 0.12 0.18 0.00 0.00 0.00 175.10 175.99