#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hui s PRO -5 N 0.00 3.86 0.15 1.45 0.02 -1.26 -4.88 135.00 134.33 3hui s PRO -5 Ca 0.00 1.98 -0.34 0.00 0.02 0.00 0.00 61.00 62.66 3hui s PRO -5 Cb 0.00 -4.08 -0.16 0.00 0.02 0.00 0.00 34.50 30.27 3hui s PRO -5 CO 0.00 -1.24 1.20 0.54 -0.33 0.00 0.00 177.00 177.17 3hui n ARG -4 N 7.65 1.11 -1.55 5.54 1.74 -1.26 -1.53 116.66 128.36 3hui n ARG -4 Ca 0.20 0.40 -0.19 0.00 -0.77 0.00 0.00 57.85 57.49 3hui n ARG -4 Cb 0.44 -1.92 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 3hui n ARG -4 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hui n GLY -3 N 2.13 1.80 3.72 -0.13 0.00 -1.26 -4.98 105.19 106.48 3hui n GLY -3 Ca 0.16 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3hui n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hui s SER -2 N -2.72 5.14 -1.24 1.61 0.01 -0.58 -4.67 113.70 111.26 3hui s SER -2 Ca 0.00 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.75 3hui s SER -2 Cb 0.00 -1.24 0.03 0.00 0.21 0.00 0.00 66.02 65.02 3hui s SER -2 CO 0.00 0.11 0.64 1.41 0.41 0.00 0.00 173.24 175.82 3hui n HIS -1 N 0.06 -1.45 -2.48 2.43 8.25 -1.26 -3.90 115.22 116.86 3hui n HIS -1 Ca -0.09 0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 57.15 3hui n HIS -1 Cb 0.54 -2.90 -0.04 0.00 1.12 0.00 0.00 29.99 28.71 3hui n HIS -1 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hui s MET 0 N -7.23 4.38 0.03 -0.41 1.00 -1.26 -1.67 119.30 114.15 3hui s MET 0 Ca 0.45 1.70 0.08 0.00 0.00 0.00 0.00 55.69 57.92 3hui s MET 0 Cb -0.23 -2.88 -0.03 0.00 0.00 0.00 0.00 34.83 31.69 3hui s MET 0 CO 0.96 0.01 -0.24 0.00 0.00 0.00 0.00 175.02 175.75 3hui s ALA 1 N -1.38 2.05 0.03 3.03 0.00 0.01 -4.90 121.76 120.60 3hui s ALA 1 Ca 0.51 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 3hui s ALA 1 Cb -0.28 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 3hui s ALA 1 CO 0.36 0.48 0.78 0.15 0.00 0.00 0.00 175.76 177.53 3hui s LYS 2 N -1.08 4.50 -0.09 0.00 1.02 -1.26 -1.36 119.74 121.47 3hui s LYS 2 Ca 0.10 1.08 0.01 0.00 0.02 0.00 0.00 55.97 57.19 3hui s LYS 2 Cb -0.09 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3hui s LYS 2 CO 0.01 0.23 -0.12 0.42 -0.92 0.00 0.00 175.35 174.97 3hui s ILE 3 N 0.13 1.20 -0.27 2.17 -1.09 0.30 0.10 121.20 123.74 3hui s ILE 3 Ca 0.40 -0.47 -0.09 0.00 -2.23 0.00 0.00 60.65 58.25 3hui s ILE 3 Cb -0.20 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 3hui s ILE 3 CO 0.23 0.38 0.13 0.20 -1.23 0.00 0.00 174.94 174.65 3hui s ASN 4 N 0.99 5.58 -0.31 3.58 0.01 0.23 -1.57 114.94 123.45 3hui s ASN 4 Ca -0.08 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 51.84 3hui s ASN 4 Cb -0.15 -2.02 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 3hui s ASN 4 CO -0.00 -0.06 0.14 -0.36 -1.51 0.00 0.00 177.10 175.31 3hui s PHE 5 N 1.68 3.17 -0.24 2.20 0.08 0.47 -1.33 117.98 124.03 3hui s PHE 5 Ca 0.07 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.35 3hui s PHE 5 Cb -0.16 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3hui s PHE 5 CO 0.07 -0.50 0.07 0.08 -0.10 0.00 0.00 175.22 174.85 3hui s VAL 6 N 1.58 4.45 0.95 -0.44 1.01 -0.38 -0.06 120.40 127.51 3hui s VAL 6 Ca 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3hui s VAL 6 Cb -0.17 -3.06 0.20 0.00 0.00 0.00 0.00 36.38 33.34 3hui s VAL 6 CO 0.05 0.36 1.30 1.51 0.00 0.00 0.00 175.10 178.33 3hui s ASP 7 N 1.35 3.17 0.63 3.32 1.47 -0.69 -1.08 116.67 124.84 3hui s ASP 7 Ca 0.05 0.20 0.37 0.00 1.18 0.00 0.00 52.55 54.35 3hui s ASP 7 Cb -0.15 -0.25 2.12 0.00 -0.34 0.00 0.00 42.92 44.31 3hui s ASP 7 CO 0.04 -2.69 2.31 -0.74 0.68 0.00 0.00 175.17 174.77 3hui h HIS 8 N -1.57 0.00 -0.00 2.11 -0.00 -1.81 -1.53 115.15 112.35 3hui h HIS 8 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3hui h HIS 8 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3hui h HIS 8 CO -1.12 0.00 -0.46 0.25 -0.00 0.00 0.00 177.93 176.60 3hui n THR 9 N -3.46 0.00 0.00 6.26 -2.24 -1.26 -4.94 114.28 108.64 3hui n THR 9 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hui n THR 9 Cb 0.09 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3hui n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hui n GLY 10 N 1.49 0.53 3.69 3.38 0.00 -0.57 -5.07 105.19 108.63 3hui n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hui n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hui s GLU 11 N -0.88 4.40 -0.06 1.61 2.56 -1.26 -4.79 118.70 120.28 3hui s GLU 11 Ca 0.00 1.27 -0.11 0.00 0.00 0.00 0.00 54.97 56.13 3hui s GLU 11 Cb 0.00 -3.54 -0.05 0.00 2.00 0.00 0.00 34.13 32.55 3hui s GLU 11 CO 0.00 -0.27 0.27 0.99 -0.56 0.00 0.00 175.26 175.69 3hui s THR 12 N 1.88 5.27 -0.10 -1.70 2.01 -1.26 -1.71 115.64 120.02 3hui s THR 12 Ca 0.45 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.99 3hui s THR 12 Cb -0.18 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.79 3hui s THR 12 CO 0.17 0.60 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.46 3hui s ARG 13 N -1.06 1.86 -0.09 4.92 0.52 0.92 -4.97 118.95 121.06 3hui s ARG 13 Ca 0.19 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.96 3hui s ARG 13 Cb -0.14 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 3hui s ARG 13 CO 0.09 -0.13 0.02 0.99 0.02 0.00 0.00 175.30 176.28 3hui s THR 14 N 1.22 4.45 0.08 0.02 2.01 -1.26 -0.39 115.64 121.76 3hui s THR 14 Ca -0.03 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 3hui s THR 14 Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 3hui s THR 14 CO -0.04 0.60 0.02 0.68 -0.69 0.00 0.00 174.62 175.20 3hui s VAL 15 N -0.91 0.17 -0.07 3.82 -7.23 -0.61 -4.99 120.40 110.58 3hui s VAL 15 Ca 0.14 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 3hui s VAL 15 Cb -0.11 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 3hui s VAL 15 CO 0.03 -0.79 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.26 3hui s GLU 16 N -3.96 2.77 0.02 4.82 2.02 -1.26 -0.54 118.70 122.58 3hui s GLU 16 Ca 0.12 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.40 3hui s GLU 16 Cb 0.07 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 3hui s GLU 16 CO -0.06 0.46 -0.06 0.54 0.02 0.00 0.00 175.26 176.16 3hui s VAL 17 N -0.30 0.42 0.51 2.63 0.11 -0.47 -4.89 120.40 118.41 3hui s VAL 17 Ca 0.02 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.17 3hui s VAL 17 Cb -0.13 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 3hui s VAL 17 CO 0.03 -0.18 1.33 -1.61 -3.33 0.00 0.00 175.10 171.34 3hui s GLU 18 N -0.92 3.36 0.33 1.54 8.01 -1.26 -0.81 118.70 128.95 3hui s GLU 18 Ca -0.05 2.18 -0.29 0.00 0.01 0.00 0.00 54.97 56.82 3hui s GLU 18 Cb -0.06 -2.36 -0.10 0.00 -4.31 0.00 0.00 34.13 27.29 3hui s GLU 18 CO 0.00 -1.00 1.34 -1.21 0.01 0.00 0.00 175.26 174.41 3hui s GLU 19 N -2.77 4.31 0.00 1.61 2.02 -0.67 -2.30 118.70 120.90 3hui s GLU 19 Ca 0.68 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.94 3hui s GLU 19 Cb -0.39 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.78 3hui s GLU 19 CO 0.47 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.90 3hui n GLY 20 N 0.87 2.59 3.90 -1.39 0.00 0.10 -3.41 105.19 107.85 3hui n GLY 20 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3hui n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hui s ALA 21 N -2.50 2.84 0.37 4.61 0.00 -0.97 -4.66 121.76 121.45 3hui s ALA 21 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.37 3hui s ALA 21 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3hui s ALA 21 CO 0.00 -1.44 0.54 0.95 0.00 0.00 0.00 175.76 175.81 3hui s THR 22 N -3.44 4.07 0.31 0.00 -4.23 -1.26 0.05 115.64 111.15 3hui s THR 22 Ca 0.60 -0.82 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 3hui s THR 22 Cb -0.11 -3.44 0.09 0.00 1.34 0.00 0.00 72.50 70.38 3hui s THR 22 CO 0.49 -0.22 1.78 0.58 -0.54 0.00 0.00 174.62 176.71 3hui h VAL 23 N 0.73 1.25 -0.80 2.29 2.07 -1.05 -2.26 116.25 118.47 3hui h VAL 23 Ca -0.46 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 3hui h VAL 23 Cb 1.25 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3hui h VAL 23 CO 0.54 0.36 0.35 -0.03 0.02 0.00 0.00 177.57 178.82 3hui h MET 24 N 0.35 1.18 -0.16 1.57 1.85 -1.74 -2.10 114.93 115.87 3hui h MET 24 Ca 0.06 -0.20 -0.08 0.00 -0.61 0.00 0.00 59.70 58.87 3hui h MET 24 Cb 0.59 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 3hui h MET 24 CO 0.04 0.93 -0.27 0.93 -0.40 0.00 0.00 176.91 178.14 3hui h GLU 25 N 1.15 0.30 -0.06 0.39 5.08 -1.77 0.17 114.58 119.84 3hui h GLU 25 Ca 0.27 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3hui h GLU 25 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hui h GLU 25 CO -0.03 0.56 -0.25 0.00 -1.00 0.00 0.00 179.01 178.29 3hui h ALA 26 N 1.45 1.48 0.01 3.43 0.00 -0.83 -0.88 119.26 123.92 3hui h ALA 26 Ca 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3hui h ALA 26 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hui h ALA 26 CO 0.05 0.38 -0.50 0.00 0.00 0.00 0.00 179.25 179.17 3hui h ALA 27 N 1.66 0.08 -0.49 0.00 0.00 -0.81 -3.26 119.26 116.44 3hui h ALA 27 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3hui h ALA 27 Cb 0.50 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hui h ALA 27 CO 0.04 0.28 0.25 0.82 0.00 0.00 0.00 179.25 180.63 3hui h ILE 28 N -0.92 1.19 0.00 0.00 1.08 -0.97 0.13 117.51 118.01 3hui h ILE 28 Ca -0.13 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3hui h ILE 28 Cb 1.17 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 3hui h ILE 28 CO -0.05 0.20 0.00 0.03 -0.69 0.00 0.00 178.15 177.64 3hui h ARG 29 N 0.65 0.00 -0.21 2.37 3.08 -1.33 -2.59 114.38 116.34 3hui h ARG 29 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hui h ARG 29 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hui h ARG 29 CO -0.02 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.97 3hui n ASN 30 N -2.98 3.24 -4.14 7.04 3.02 -0.95 -4.98 115.26 115.51 3hui n ASN 30 Ca -0.00 -2.72 -0.34 0.00 -0.03 0.00 0.00 54.58 51.49 3hui n ASN 30 Cb 0.22 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 3hui n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hui n ALA 31 N -0.44 -1.31 -2.03 5.41 0.00 -0.51 -4.90 120.51 116.72 3hui n ALA 31 Ca 0.16 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 3hui n ALA 31 Cb 0.69 -3.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 3hui n ALA 31 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hui s ILE 32 N -3.33 3.32 0.53 0.00 -1.09 0.35 -5.00 121.20 115.97 3hui s ILE 32 Ca 0.68 1.09 -0.19 0.00 -2.23 0.00 0.00 60.65 59.99 3hui s ILE 32 Cb -0.36 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 36.76 3hui s ILE 32 CO 0.90 0.16 1.08 -2.84 -1.23 0.00 0.00 174.94 173.02 3hui s PRO 33 N -0.11 3.52 0.00 2.79 0.02 -1.26 -3.86 135.00 136.09 3hui s PRO 33 Ca 0.56 1.44 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3hui s PRO 33 Cb -0.35 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.12 3hui s PRO 33 CO 0.38 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3hui n GLY 34 N -0.18 0.97 3.08 0.52 0.00 -1.26 -4.91 105.19 103.41 3hui n GLY 34 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3hui n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hui s VAL 35 N -3.49 1.28 0.32 1.61 1.01 -1.25 -4.58 120.40 115.30 3hui s VAL 35 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3hui s VAL 35 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3hui s VAL 35 CO 0.00 0.38 0.07 -1.61 0.00 0.00 0.00 175.10 173.94 3hui s GLU 36 N 0.36 1.64 -0.40 2.72 2.02 0.35 -4.89 118.70 120.51 3hui s GLU 36 Ca -0.10 -1.92 0.09 0.00 0.02 0.00 0.00 54.97 53.07 3hui s GLU 36 Cb -0.14 -0.78 0.32 0.00 0.10 0.00 0.00 34.13 33.63 3hui s GLU 36 CO 0.03 -0.22 0.80 0.00 0.02 0.00 0.00 175.26 175.89 3hui n ALA 37 N -0.68 1.12 -0.28 5.21 0.00 -1.26 -2.74 120.51 121.88 3hui n ALA 37 Ca -0.02 -2.77 0.04 0.00 0.00 0.00 0.00 53.44 50.69 3hui n ALA 37 Cb 0.66 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.25 3hui n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hui h GLU 38 N 3.25 0.03 -0.31 0.00 4.81 -1.99 0.47 114.58 120.84 3hui h GLU 38 Ca 0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3hui h GLU 38 Cb 0.99 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3hui h GLU 38 CO 0.39 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 3hui n GLY 40 N 1.28 -0.30 1.71 0.00 0.00 0.16 -3.38 105.19 104.65 3hui n GLY 40 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hui n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hui n GLY 41 N -1.32 0.53 1.53 -0.02 0.00 -1.26 -4.96 105.19 99.69 3hui n GLY 41 Ca -0.11 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.14 3hui n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hui n ALA 42 N -0.14 3.08 -3.94 4.61 0.00 -1.22 -4.92 120.51 117.98 3hui n ALA 42 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 53.44 51.66 3hui n ALA 42 Cb 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.62 3hui n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hui n ALA 44 N -4.56 2.23 -3.00 0.00 0.00 -1.26 -4.89 120.51 109.03 3hui n ALA 44 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3hui n ALA 44 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3hui n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hui n ALA 46 N -3.00 1.58 1.50 0.00 0.00 -1.26 -4.74 120.51 114.58 3hui n ALA 46 Ca 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.69 3hui n ALA 46 Cb 0.00 -0.25 0.66 0.00 0.00 0.00 0.00 19.45 19.86 3hui n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hui n THR 47 N -0.10 0.00 -0.85 0.00 -2.24 -1.26 -2.50 114.28 107.33 3hui n THR 47 Ca 0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3hui n THR 47 Cb 0.59 -0.59 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 3hui n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hui n HIS 49 N -0.26 2.89 -3.82 0.00 -0.00 -1.04 -1.12 115.22 111.87 3hui n HIS 49 Ca 0.20 0.29 -0.09 0.00 -0.00 0.00 0.00 57.72 58.12 3hui n HIS 49 Cb 0.84 -2.59 -0.07 0.00 -0.00 0.00 0.00 29.99 28.17 3hui n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3hui s VAL 50 N -0.24 0.13 -0.27 3.57 -7.23 -0.46 -4.36 120.40 111.55 3hui s VAL 50 Ca 0.62 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3hui s VAL 50 Cb -0.49 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3hui s VAL 50 CO 0.52 -0.59 0.11 -0.31 -0.31 0.00 0.00 175.10 174.52 3hui s TYR 51 N -3.76 3.13 -0.08 2.82 2.02 0.95 -1.45 117.35 120.98 3hui s TYR 51 Ca 0.04 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 3hui s TYR 51 Cb 0.04 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 3hui s TYR 51 CO -0.11 -0.34 1.11 0.08 -1.57 0.00 0.00 175.55 174.72 3hui s VAL 52 N 1.64 4.50 0.30 0.71 1.01 0.07 -0.77 120.40 127.87 3hui s VAL 52 Ca 0.06 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 3hui s VAL 52 Cb -0.16 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 3hui s VAL 52 CO 0.06 -0.01 1.36 -0.67 0.00 0.00 0.00 175.10 175.84 3hui n ASP 53 N 5.16 2.87 -0.35 3.32 -0.08 -0.64 -4.72 116.55 122.11 3hui n ASP 53 Ca 0.10 1.18 0.06 0.00 -1.51 0.00 0.00 54.79 54.62 3hui n ASP 53 Cb 0.47 -1.48 0.13 0.00 2.34 0.00 0.00 41.12 42.59 3hui n ASP 53 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3hui n GLU 54 N 1.19 -0.09 0.29 -0.67 4.07 -1.26 -0.01 120.64 124.16 3hui n GLU 54 Ca 0.07 1.53 0.18 0.00 -0.06 0.00 0.00 57.16 58.88 3hui n GLU 54 Cb 0.35 -2.29 0.98 0.00 -0.06 0.00 0.00 31.44 30.42 3hui n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hui h ALA 55 N 1.95 1.43 -0.07 4.31 0.00 -1.97 -2.62 119.26 122.29 3hui h ALA 55 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3hui h ALA 55 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hui h ALA 55 CO -1.01 -0.10 0.00 0.91 0.00 0.00 0.00 179.25 179.05 3hui n TRP 56 N -3.54 0.08 -0.27 0.00 7.02 0.99 -4.64 117.44 117.07 3hui n TRP 56 Ca -0.02 -0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.36 3hui n TRP 56 Cb 0.16 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.12 3hui n TRP 56 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hui h ARG 57 N 3.02 0.99 -0.36 -0.99 3.08 -1.14 -1.39 114.38 117.60 3hui h ARG 57 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3hui h ARG 57 Cb 0.67 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hui h ARG 57 CO 0.00 0.66 0.15 0.93 -1.07 0.00 0.00 179.97 180.64 3hui h GLU 58 N 1.02 0.53 -0.24 0.04 4.39 -1.82 0.24 114.58 118.74 3hui h GLU 58 Ca 0.28 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.74 3hui h GLU 58 Cb -0.12 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3hui h GLU 58 CO -0.06 0.51 -0.44 0.87 -1.16 0.00 0.00 179.01 178.73 3hui h LYS 59 N 0.43 0.59 0.03 2.33 1.57 -1.84 -3.26 116.57 116.42 3hui h LYS 59 Ca 0.12 -0.32 -0.20 0.00 -1.87 0.00 0.00 60.65 58.39 3hui h LYS 59 Cb 0.17 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hui h LYS 59 CO -0.01 0.92 -0.78 0.28 -0.57 0.00 0.00 179.45 179.28 3hui h VAL 60 N 0.48 1.39 0.00 0.50 2.07 -1.16 -3.51 116.25 116.03 3hui h VAL 60 Ca 0.03 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3hui h VAL 60 Cb 0.96 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3hui h VAL 60 CO 0.09 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.94 3hui n GLY 61 N 1.18 -0.74 3.94 2.17 0.00 0.82 -5.01 105.19 107.55 3hui n GLY 61 Ca -0.11 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 3hui n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hui s GLY 62 N -3.06 1.75 0.60 -0.02 0.00 -1.26 -4.98 107.32 100.35 3hui s GLY 62 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 3hui s GLY 62 CO 0.00 -0.56 1.04 2.56 0.00 0.00 0.00 173.10 176.13 3hui s PRO 63 N -5.65 3.42 0.70 2.90 0.04 -1.26 -5.06 135.00 130.09 3hui s PRO 63 Ca 0.70 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 3hui s PRO 63 Cb -0.05 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3hui s PRO 63 CO 0.50 -0.72 1.05 -1.54 0.04 0.00 0.00 177.00 176.34 3hui s SER 64 N -3.17 5.12 0.29 6.66 1.04 -1.26 -4.83 113.70 117.55 3hui s SER 64 Ca 0.61 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.83 3hui s SER 64 Cb -0.14 -1.55 0.45 0.00 0.10 0.00 0.00 66.02 64.89 3hui s SER 64 CO 0.41 -1.47 1.94 -0.65 0.98 0.00 0.00 173.24 174.45 3hui h PRO 65 N -0.63 1.09 0.00 4.02 0.11 -1.99 0.22 132.00 134.81 3hui h PRO 65 Ca -0.45 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3hui h PRO 65 Cb 1.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3hui h PRO 65 CO 0.63 0.72 -0.41 0.00 -0.21 0.00 0.00 178.00 178.73 3hui h MET 66 N 1.12 0.00 -0.15 1.05 -0.00 -2.00 -2.81 114.93 112.14 3hui h MET 66 Ca 0.35 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.83 3hui h MET 66 Cb -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.60 3hui h MET 66 CO -0.10 0.41 -0.76 1.49 -0.00 0.00 0.00 176.91 177.96 3hui h GLU 67 N 0.00 0.74 -0.31 -0.10 4.81 -1.67 -3.24 114.58 114.81 3hui h GLU 67 Ca -0.00 -0.60 0.03 0.00 -0.13 0.00 0.00 59.36 58.66 3hui h GLU 67 Cb 0.98 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hui h GLU 67 CO 0.05 1.21 0.14 0.93 -0.73 0.00 0.00 179.01 180.61 3hui h GLU 68 N 0.51 0.28 -0.79 1.92 5.08 -0.75 0.03 114.58 120.87 3hui h GLU 68 Ca -0.04 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3hui h GLU 68 Cb 1.37 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 3hui h GLU 68 CO 0.15 0.19 0.52 -0.44 -1.00 0.00 0.00 179.01 178.43 3hui h ASP 69 N 0.29 0.58 0.78 1.42 3.32 -1.53 -1.16 116.42 120.11 3hui h ASP 69 Ca 0.13 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.96 3hui h ASP 69 Cb 0.07 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3hui h ASP 69 CO -0.11 0.32 -1.18 0.24 -1.72 0.00 0.00 179.24 176.79 3hui h MET 70 N 0.63 0.12 0.00 3.56 2.86 -1.45 -3.23 114.93 117.42 3hui h MET 70 Ca 0.38 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3hui h MET 70 Cb 0.60 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3hui h MET 70 CO -0.15 1.06 -0.01 -0.07 1.06 0.00 0.00 176.91 178.81 3hui h LEU 71 N 0.03 0.00 -1.53 1.22 3.38 0.22 -1.87 115.31 116.76 3hui h LEU 71 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hui h LEU 71 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3hui h LEU 71 CO 0.16 0.01 0.00 0.44 0.09 0.00 0.00 178.44 179.13 3hui h ASP 72 N 0.00 0.00 -0.36 -0.43 3.32 -1.43 -0.83 116.42 116.69 3hui h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hui h ASP 72 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3hui h ASP 72 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3hui n PHE 73 N -2.41 0.46 -2.05 4.55 3.72 -0.70 -4.97 117.46 116.06 3hui n PHE 73 Ca -0.01 -0.25 -0.28 0.00 -0.05 0.00 0.00 57.45 56.86 3hui n PHE 73 Cb 0.09 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.69 3hui n PHE 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hui s GLY 74 N -1.42 1.63 -0.24 1.37 0.00 -0.32 -4.93 107.32 103.41 3hui s GLY 74 Ca 0.36 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.36 3hui s GLY 74 CO 0.29 -0.25 0.03 -0.19 0.00 0.00 0.00 173.10 172.99 3hui s TYR 75 N -3.36 3.04 -0.71 1.90 2.02 -1.26 -4.60 117.35 114.38 3hui s TYR 75 Ca 0.59 -0.63 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3hui s TYR 75 Cb -0.11 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 3hui s TYR 75 CO 0.48 -0.43 0.64 -3.47 -1.57 0.00 0.00 175.55 171.19 3hui n ASP 76 N 4.88 -6.01 -4.69 2.29 4.64 -1.26 -4.82 116.55 111.58 3hui n ASP 76 Ca -0.17 -0.33 -0.41 0.00 -1.38 0.00 0.00 54.79 52.50 3hui n ASP 76 Cb 0.51 -4.24 -0.04 0.00 -1.04 0.00 0.00 41.12 36.30 3hui n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3hui s VAL 77 N -3.17 4.96 0.41 5.18 1.01 -1.26 -5.04 120.40 122.49 3hui s VAL 77 Ca 0.20 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.79 3hui s VAL 77 Cb -0.03 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 3hui s VAL 77 CO 0.58 0.13 0.07 -0.13 0.00 0.00 0.00 175.10 175.75 3hui s ARG 78 N 1.53 2.06 0.44 2.72 0.52 -1.26 -4.99 118.95 119.97 3hui s ARG 78 Ca 0.38 -2.01 0.20 0.00 -0.52 0.00 0.00 55.73 53.78 3hui s ARG 78 Cb -0.17 -1.77 1.17 0.00 0.52 0.00 0.00 34.95 34.70 3hui s ARG 78 CO 0.15 -0.08 1.86 -1.35 0.02 0.00 0.00 175.30 175.91 3hui h PRO 79 N 1.64 0.31 -0.53 3.54 0.11 -2.01 0.19 132.00 135.25 3hui h PRO 79 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hui h PRO 79 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hui h PRO 79 CO 0.77 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 3hui n ASN 80 N -4.47 2.86 -4.77 -2.05 2.04 -1.26 -4.94 115.26 102.67 3hui n ASN 80 Ca 0.19 -2.10 -0.38 0.00 -0.44 0.00 0.00 54.58 51.85 3hui n ASN 80 Cb 0.75 -0.37 -0.04 0.00 -2.53 0.00 0.00 39.78 37.58 3hui n ASN 80 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 3hui s SER 81 N -0.92 7.07 0.03 0.53 0.01 0.66 -0.75 113.70 120.33 3hui s SER 81 Ca 0.33 2.13 -0.16 0.00 1.31 0.00 0.00 55.95 59.56 3hui s SER 81 Cb 0.19 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.84 3hui s SER 81 CO 0.20 -0.28 0.36 -0.13 0.41 0.00 0.00 173.24 173.81 3hui s ARG 82 N -1.91 0.84 -0.33 12.44 1.81 -0.53 -4.60 118.95 126.67 3hui s ARG 82 Ca 0.50 -0.36 -0.23 0.00 -1.72 0.00 0.00 55.73 53.92 3hui s ARG 82 Cb -0.27 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 3hui s ARG 82 CO 0.34 -0.27 0.78 -0.51 -0.68 0.00 0.00 175.30 174.96 3hui s LEU 83 N -1.86 4.11 0.62 2.53 1.43 -1.26 -1.36 118.68 122.88 3hui s LEU 83 Ca -0.07 0.53 0.31 0.00 -1.03 0.00 0.00 54.13 53.87 3hui s LEU 83 Cb -0.02 -3.04 1.77 0.00 0.03 0.00 0.00 46.19 44.93 3hui s LEU 83 CO -0.01 -0.65 2.10 0.77 0.23 0.00 0.00 176.35 178.79 3hui h SER 84 N 8.26 0.00 0.72 2.29 4.64 -1.46 0.16 113.55 128.16 3hui h SER 84 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hui h SER 84 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3hui h SER 84 CO 0.89 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.85 3hui n GLN 86 N -1.44 2.30 -3.54 0.00 1.13 0.55 -4.82 117.38 111.56 3hui n GLN 86 Ca 0.08 -1.88 -0.42 0.00 -1.94 0.00 0.00 57.00 52.84 3hui n GLN 86 Cb 0.26 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 3hui n GLN 86 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hui s ILE 87 N -2.00 4.79 -0.08 5.09 1.01 -0.94 -5.02 121.20 124.04 3hui s ILE 87 Ca 0.29 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 3hui s ILE 87 Cb 0.20 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3hui s ILE 87 CO 0.30 -0.34 0.69 -0.75 0.00 0.00 0.00 174.94 174.85 3hui s LYS 88 N 1.58 4.41 0.10 2.79 2.20 -1.26 -1.36 119.74 128.19 3hui s LYS 88 Ca 0.03 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 3hui s LYS 88 Cb -0.20 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 3hui s LYS 88 CO 0.07 0.03 1.14 0.08 -0.36 0.00 0.00 175.35 176.31 3hui s VAL 89 N 0.93 4.06 0.32 4.02 1.01 0.11 -4.92 120.40 125.94 3hui s VAL 89 Ca 0.36 1.57 0.03 0.00 0.00 0.00 0.00 61.98 63.95 3hui s VAL 89 Cb -0.17 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3hui s VAL 89 CO 0.17 0.17 0.15 -0.94 0.00 0.00 0.00 175.10 174.65 3hui s SER 90 N 0.65 1.80 0.39 3.32 1.04 -1.26 0.02 113.70 119.66 3hui s SER 90 Ca 0.55 -1.56 0.05 0.00 0.48 0.00 0.00 55.95 55.47 3hui s SER 90 Cb -0.29 0.36 0.78 0.00 0.10 0.00 0.00 66.02 66.98 3hui s SER 90 CO 0.31 -0.87 2.04 -1.13 0.98 0.00 0.00 173.24 174.57 3hui h ASN 91 N 2.14 0.55 0.39 7.02 -1.24 -1.96 -1.94 115.58 120.54 3hui h ASN 91 Ca -0.34 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.65 3hui h ASN 91 Cb 1.25 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.17 3hui h ASN 91 CO 0.54 0.41 0.00 -1.84 -1.29 0.00 0.00 177.43 175.25 3hui n GLU 92 N -4.45 0.29 -0.46 6.67 0.28 -1.26 -2.56 120.64 119.14 3hui n GLU 92 Ca 0.04 0.09 0.08 0.00 -0.16 0.00 0.00 57.16 57.22 3hui n GLU 92 Cb 0.06 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 31.72 3hui n GLU 92 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3hui n LEU 93 N -1.29 4.08 -4.62 -1.84 4.77 -0.73 -4.94 117.00 112.43 3hui n LEU 93 Ca 0.10 -2.45 -0.43 0.00 -0.03 0.00 0.00 56.01 53.20 3hui n LEU 93 Cb 0.16 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3hui n LEU 93 CO 0.16 0.77 1.42 -0.62 -1.33 0.00 0.00 177.39 177.79 3hui s ASP 94 N -1.16 6.22 0.00 -1.43 3.68 -1.06 -1.28 116.67 121.63 3hui s ASP 94 Ca 0.42 1.51 0.00 0.00 2.13 0.00 0.00 52.55 56.61 3hui s ASP 94 Cb 0.28 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.22 3hui s ASP 94 CO 0.19 -1.41 0.00 0.61 0.13 0.00 0.00 175.17 174.69 3hui n GLY 95 N 4.93 0.72 3.53 2.66 0.00 0.28 -4.81 105.19 112.50 3hui n GLY 95 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3hui n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hui n LEU 96 N 0.00 0.93 -4.13 0.99 7.94 -0.41 -4.58 117.00 117.74 3hui n LEU 96 Ca 0.00 1.10 -0.31 0.00 -1.11 0.00 0.00 56.01 55.69 3hui n LEU 96 Cb 0.00 -1.20 -0.17 0.00 0.53 0.00 0.00 43.42 42.59 3hui n LEU 96 CO 0.00 -2.01 -0.53 -0.63 -1.11 0.00 0.00 177.39 173.12 3hui s ILE 97 N -1.15 1.84 0.03 1.96 1.01 -1.26 0.78 121.20 124.40 3hui s ILE 97 Ca 0.61 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3hui s ILE 97 Cb -0.71 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3hui s ILE 97 CO 0.59 0.51 -0.07 0.68 0.00 0.00 0.00 174.94 176.64 3hui s VAL 98 N 0.81 0.53 -0.08 2.92 -7.23 -0.44 -1.62 120.40 115.29 3hui s VAL 98 Ca -0.09 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 3hui s VAL 98 Cb -0.16 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3hui s VAL 98 CO -0.00 -0.21 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.55 3hui s THR 99 N -0.97 3.01 0.20 5.32 2.01 0.05 -1.25 115.64 124.02 3hui s THR 99 Ca -0.06 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 3hui s THR 99 Cb -0.07 -2.21 -0.08 0.00 0.01 0.00 0.00 72.50 70.15 3hui s THR 99 CO 0.00 0.56 0.71 0.42 -0.69 0.00 0.00 174.62 175.62 3hui s THR 100 N -0.28 4.57 1.02 -0.82 -4.23 -0.24 -0.04 115.64 115.63 3hui s THR 100 Ca 0.02 1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 61.69 3hui s THR 100 Cb -0.13 -3.89 0.20 0.00 1.34 0.00 0.00 72.50 70.02 3hui s THR 100 CO 0.03 0.28 1.13 -2.16 -0.54 0.00 0.00 174.62 173.36 3hui s PRO 101 N -1.79 0.21 0.40 3.99 0.04 -1.26 -3.58 135.00 133.01 3hui s PRO 101 Ca 0.40 0.20 0.21 0.00 0.04 0.00 0.00 61.00 61.85 3hui s PRO 101 Cb -0.18 -1.74 0.80 0.00 0.04 0.00 0.00 34.50 33.42 3hui s PRO 101 CO 0.21 -2.81 1.78 1.49 0.04 0.00 0.00 177.00 177.72 3hui h GLU 102 N -1.94 0.00 -2.97 4.56 4.81 -1.96 -3.42 114.58 113.67 3hui h GLU 102 Ca -0.50 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 3hui h GLU 102 Cb 1.32 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.45 3hui h GLU 102 CO 0.51 0.31 -0.34 0.50 -0.73 0.00 0.00 179.01 179.27 3hui s ARG 103 N -3.67 0.39 -0.11 1.92 3.52 -1.26 -5.04 118.95 114.69 3hui s ARG 103 Ca -0.00 0.41 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3hui s ARG 103 Cb 0.11 0.19 -0.14 0.00 -1.56 0.00 0.00 34.95 33.55 3hui s ARG 103 CO 0.67 -0.05 0.02 1.04 -0.81 0.00 0.00 175.30 176.17 3hui n GLN 104 N 2.81 2.01 0.00 5.12 1.13 -1.26 -4.37 117.38 122.82 3hui n GLN 104 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3hui n GLN 104 Cb 0.58 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.64 3hui n GLN 104 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51