#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b00 s ARG 3 N 0.00 4.57 0.00 0.00 1.81 -1.26 -4.71 118.95 119.36 1b00 s ARG 3 Ca 0.00 1.39 -0.26 0.00 -1.72 0.00 0.00 55.73 55.14 1b00 s ARG 3 Cb 0.00 -3.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 1b00 s ARG 3 CO 0.00 -0.02 0.82 1.03 -0.68 0.00 0.00 175.30 176.46 1b00 s ARG 4 N 0.90 4.52 -0.19 3.54 0.52 -1.26 -1.32 118.95 125.65 1b00 s ARG 4 Ca 0.51 1.14 0.01 0.00 -0.52 0.00 0.00 55.73 56.87 1b00 s ARG 4 Cb -0.21 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 31.87 1b00 s ARG 4 CO 0.28 0.12 -0.19 0.42 0.02 0.00 0.00 175.30 175.95 1b00 s ILE 5 N 0.51 2.04 -0.20 1.52 -1.09 -0.49 -0.10 121.20 123.38 1b00 s ILE 5 Ca 0.43 -0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 57.56 1b00 s ILE 5 Cb -0.20 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.80 1b00 s ILE 5 CO 0.24 0.48 1.04 -0.22 -1.23 0.00 0.00 174.94 175.24 1b00 s LEU 6 N 1.28 4.13 -0.61 2.97 2.96 -0.27 -0.66 118.68 128.48 1b00 s LEU 6 Ca 0.04 1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 55.27 1b00 s LEU 6 Cb -0.14 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.17 1b00 s LEU 6 CO -0.12 -0.63 0.50 -0.69 -1.32 0.00 0.00 176.35 174.09 1b00 s VAL 7 N 2.97 4.61 -0.68 1.68 1.01 0.21 -0.80 120.40 129.40 1b00 s VAL 7 Ca 0.45 -2.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.02 1b00 s VAL 7 Cb -0.16 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.35 1b00 s VAL 7 CO 0.09 -0.88 0.94 -0.69 0.00 0.00 0.00 175.10 174.56 1b00 s VAL 8 N 0.75 4.45 -0.18 2.92 1.01 -0.20 -1.91 120.40 127.25 1b00 s VAL 8 Ca 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1b00 s VAL 8 Cb -0.21 -4.66 0.05 0.00 0.00 0.00 0.00 36.38 31.56 1b00 s VAL 8 CO -0.03 -1.41 0.45 -0.70 0.00 0.00 0.00 175.10 173.41 1b00 s GLU 9 N 3.67 0.47 0.15 2.72 2.56 -0.55 -1.48 118.70 126.24 1b00 s GLU 9 Ca 0.22 0.76 0.22 0.00 0.00 0.00 0.00 54.97 56.17 1b00 s GLU 9 Cb -0.17 0.10 -0.07 0.00 2.00 0.00 0.00 34.13 35.99 1b00 s GLU 9 CO 0.07 -0.12 0.93 -0.40 -0.56 0.00 0.00 175.26 175.18 1b00 n ASP 10 N 3.72 0.73 -4.57 -1.70 5.68 -1.25 -4.10 116.55 115.06 1b00 n ASP 10 Ca -0.19 0.29 -0.42 0.00 -0.50 0.00 0.00 54.79 53.97 1b00 n ASP 10 Cb 0.56 0.63 -0.03 0.00 -1.14 0.00 0.00 41.12 41.14 1b00 n ASP 10 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1b00 s GLU 11 N -3.32 3.42 0.13 0.11 2.12 -1.26 -4.95 118.70 114.95 1b00 s GLU 11 Ca -0.02 0.12 -0.26 0.00 0.36 0.00 0.00 54.97 55.17 1b00 s GLU 11 Cb 0.10 -4.06 -0.07 0.00 0.26 0.00 0.00 34.13 30.36 1b00 s GLU 11 CO 0.81 -1.81 1.45 0.00 -0.54 0.00 0.00 175.26 175.16 1b00 h ALA 12 N 9.70 -0.52 -0.21 6.30 0.00 -1.99 -0.39 119.26 132.15 1b00 h ALA 12 Ca -0.26 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1b00 h ALA 12 Cb 1.06 1.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1b00 h ALA 12 CO 1.21 -0.83 0.16 -1.00 0.00 0.00 0.00 179.25 178.79 1b00 h PRO 13 N -0.09 0.00 -0.01 0.00 0.13 -1.99 0.20 132.00 130.25 1b00 h PRO 13 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 1b00 h PRO 13 Cb 0.38 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.52 1b00 h PRO 13 CO -0.70 0.00 -0.63 0.82 -0.23 0.00 0.00 178.00 177.27 1b00 h ILE 14 N 0.00 1.41 -0.45 -3.56 1.08 -1.64 -1.72 117.51 112.63 1b00 h ILE 14 Ca 0.10 -2.06 0.02 0.00 -0.39 0.00 0.00 64.86 62.53 1b00 h ILE 14 Cb 0.42 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 1b00 h ILE 14 CO -0.00 0.61 0.26 -0.09 -0.69 0.00 0.00 178.15 178.23 1b00 h ARG 15 N -0.04 0.50 -0.29 2.37 2.43 -0.18 -1.47 114.38 117.71 1b00 h ARG 15 Ca -0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1b00 h ARG 15 Cb 1.33 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1b00 h ARG 15 CO 0.12 0.33 0.13 1.49 -1.51 0.00 0.00 179.97 180.54 1b00 h GLU 16 N 0.52 0.43 -0.87 0.20 4.81 -0.64 -1.13 114.58 117.90 1b00 h GLU 16 Ca 0.18 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1b00 h GLU 16 Cb 0.03 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1b00 h GLU 16 CO -0.09 0.42 0.50 0.52 -0.73 0.00 0.00 179.01 179.63 1b00 h MET 17 N 0.33 1.19 -0.30 1.92 2.86 -1.05 1.00 114.93 120.88 1b00 h MET 17 Ca 0.10 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1b00 h MET 17 Cb 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1b00 h MET 17 CO -0.01 0.85 0.09 0.28 1.06 0.00 0.00 176.91 179.19 1b00 h VAL 18 N 1.20 1.20 -0.86 -2.22 2.07 -1.12 -0.97 116.25 115.56 1b00 h VAL 18 Ca 0.31 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1b00 h VAL 18 Cb -0.02 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1b00 h VAL 18 CO -0.05 0.22 0.56 0.00 0.02 0.00 0.00 177.57 178.32 1b00 h PHE 20 N 1.03 0.18 -0.74 0.00 3.57 -0.33 -0.29 116.94 120.35 1b00 h PHE 20 Ca 0.35 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1b00 h PHE 20 Cb 0.10 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1b00 h PHE 20 CO -0.00 0.34 0.35 0.28 -2.23 0.00 0.00 178.31 177.05 1b00 h VAL 21 N -0.04 1.23 -0.14 1.41 2.07 -0.77 -1.19 116.25 118.83 1b00 h VAL 21 Ca 0.03 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1b00 h VAL 21 Cb 0.25 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1b00 h VAL 21 CO 0.00 0.28 -0.08 -0.07 0.02 0.00 0.00 177.57 177.72 1b00 h LEU 22 N 1.05 0.31 -0.80 2.57 3.38 -1.17 -2.90 115.31 117.75 1b00 h LEU 22 Ca 0.26 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1b00 h LEU 22 Cb 0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1b00 h LEU 22 CO -0.03 0.68 0.44 -0.33 0.09 0.00 0.00 178.44 179.28 1b00 h GLU 23 N -0.05 0.70 -0.02 1.13 5.08 -0.86 0.04 114.58 120.60 1b00 h GLU 23 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b00 h GLU 23 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1b00 h GLU 23 CO 0.02 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 179.54 1b00 n GLN 24 N -4.79 1.14 -0.15 2.33 1.13 -0.47 -3.48 117.38 113.09 1b00 n GLN 24 Ca 0.13 -0.21 0.09 0.00 -1.94 0.00 0.00 57.00 55.07 1b00 n GLN 24 Cb 0.30 -1.40 0.13 0.00 0.11 0.00 0.00 30.24 29.37 1b00 n GLN 24 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1b00 n ASN 25 N -0.66 2.06 0.00 1.08 4.13 -0.15 -4.99 115.26 116.74 1b00 n ASN 25 Ca 0.19 -3.01 0.00 0.00 1.68 0.00 0.00 54.58 53.44 1b00 n ASN 25 Cb 0.14 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1b00 n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b00 n GLY 26 N -1.26 0.76 3.92 7.41 0.00 -1.09 -5.03 105.19 109.91 1b00 n GLY 26 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1b00 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b00 s PHE 27 N -2.68 3.42 -0.45 1.61 0.08 -0.35 -3.31 117.98 116.29 1b00 s PHE 27 Ca 0.00 0.06 -0.08 0.00 0.12 0.00 0.00 56.93 57.03 1b00 s PHE 27 Cb 0.00 -1.62 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 1b00 s PHE 27 CO 0.00 0.50 0.31 -1.14 -0.10 0.00 0.00 175.22 174.79 1b00 s GLN 28 N -3.38 2.44 0.53 0.44 2.00 -0.44 -3.70 119.66 117.56 1b00 s GLN 28 Ca 0.34 -1.71 -0.18 0.00 -2.00 0.00 0.00 55.36 51.81 1b00 s GLN 28 Cb -0.10 -3.85 -0.06 0.00 0.80 0.00 0.00 33.01 29.79 1b00 s GLN 28 CO 0.28 -1.13 1.03 -1.25 -0.50 0.00 0.00 175.29 173.72 1b00 s PRO 29 N 1.35 3.64 -0.10 1.67 0.04 -1.26 -1.40 135.00 138.94 1b00 s PRO 29 Ca 0.05 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 1b00 s PRO 29 Cb -0.25 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1b00 s PRO 29 CO -0.01 -0.54 -0.05 0.08 0.04 0.00 0.00 177.00 176.52 1b00 s VAL 30 N -2.29 0.78 0.35 -0.36 1.01 0.16 -4.84 120.40 115.20 1b00 s VAL 30 Ca 0.64 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 1b00 s VAL 30 Cb -0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1b00 s VAL 30 CO 0.28 0.33 0.95 -1.61 0.00 0.00 0.00 175.10 175.05 1b00 s GLU 31 N 1.78 4.51 -0.26 2.72 2.02 -1.26 0.68 118.70 128.88 1b00 s GLU 31 Ca 0.04 1.28 -0.01 0.00 0.02 0.00 0.00 54.97 56.31 1b00 s GLU 31 Cb -0.12 -2.66 0.14 0.00 0.10 0.00 0.00 34.13 31.58 1b00 s GLU 31 CO -0.07 0.21 0.37 0.00 0.02 0.00 0.00 175.26 175.80 1b00 s ALA 32 N -1.74 -1.03 -0.67 5.21 0.00 -0.80 -4.85 121.76 117.88 1b00 s ALA 32 Ca 0.53 0.48 0.24 0.00 0.00 0.00 0.00 51.96 53.21 1b00 s ALA 32 Cb -0.17 -1.83 0.35 0.00 0.00 0.00 0.00 23.12 21.48 1b00 s ALA 32 CO 0.21 -1.50 1.32 -0.85 0.00 0.00 0.00 175.76 174.95 1b00 n GLU 33 N 5.35 0.27 -4.04 0.00 0.28 -1.26 -1.48 120.64 119.76 1b00 n GLU 33 Ca -0.02 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 1b00 n GLU 33 Cb 0.49 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.62 1b00 n GLU 33 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1b00 s ASP 34 N -4.12 0.10 0.18 -1.84 1.47 -1.26 -3.85 116.67 107.35 1b00 s ASP 34 Ca 0.06 -1.03 -0.18 0.00 1.18 0.00 0.00 52.55 52.59 1b00 s ASP 34 Cb 0.14 0.42 0.14 0.00 -0.34 0.00 0.00 42.92 43.27 1b00 s ASP 34 CO 0.72 -0.88 1.63 0.22 0.68 0.00 0.00 175.17 177.54 1b00 h TYR 35 N 2.59 -0.49 -0.82 2.11 3.20 -1.90 -2.36 116.97 119.29 1b00 h TYR 35 Ca -0.32 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1b00 h TYR 35 Cb 1.23 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 1b00 h TYR 35 CO 0.40 -0.29 0.52 -0.44 -1.64 0.00 0.00 178.16 176.71 1b00 h ASP 36 N -0.09 0.97 -0.66 -2.11 5.19 -1.94 -1.37 116.42 116.41 1b00 h ASP 36 Ca 0.23 -0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1b00 h ASP 36 Cb 0.45 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 1b00 h ASP 36 CO -0.55 0.73 0.43 -1.28 -3.12 0.00 0.00 179.24 175.45 1b00 h SER 37 N 1.13 0.72 -0.11 6.45 0.87 -1.86 -0.64 113.55 120.11 1b00 h SER 37 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1b00 h SER 37 Cb -0.08 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1b00 h SER 37 CO -0.06 0.51 0.03 0.00 -0.53 0.00 0.00 176.83 176.79 1b00 h ALA 38 N 1.26 0.14 -0.71 6.23 0.00 -1.06 -2.39 119.26 122.74 1b00 h ALA 38 Ca 0.25 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1b00 h ALA 38 Cb -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1b00 h ALA 38 CO -0.07 -0.24 0.42 0.28 0.00 0.00 0.00 179.25 179.65 1b00 h VAL 39 N -0.01 1.03 0.00 0.00 2.07 -0.96 -2.07 116.25 116.31 1b00 h VAL 39 Ca 0.04 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1b00 h VAL 39 Cb 0.23 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1b00 h VAL 39 CO -0.00 0.15 0.00 0.78 0.02 0.00 0.00 177.57 178.52 1b00 h ASN 40 N 0.80 0.00 -0.03 0.57 2.35 -0.92 -1.96 115.58 116.40 1b00 h ASN 40 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1b00 h ASN 40 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1b00 h ASN 40 CO -0.15 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.63 1b00 n GLN 41 N -2.76 1.37 -2.56 0.81 1.13 -0.78 -4.40 117.38 110.18 1b00 n GLN 41 Ca 0.01 -0.54 -0.43 0.00 -1.94 0.00 0.00 57.00 54.10 1b00 n GLN 41 Cb 0.29 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1b00 n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1b00 n LEU 42 N -0.32 5.89 -3.87 1.08 4.77 -0.74 -4.59 117.00 119.23 1b00 n LEU 42 Ca 0.20 -4.45 -0.08 0.00 -0.03 0.00 0.00 56.01 51.65 1b00 n LEU 42 Cb 0.24 -1.58 -0.01 0.00 -2.33 0.00 0.00 43.42 39.73 1b00 n LEU 42 CO 0.16 0.95 0.45 0.21 -1.33 0.00 0.00 177.39 177.83 1b00 s ASN 43 N 2.24 -0.14 0.09 -1.43 3.04 -1.26 -5.07 114.94 112.41 1b00 s ASN 43 Ca 0.43 -0.81 -0.30 0.00 0.04 0.00 0.00 52.86 52.22 1b00 s ASN 43 Cb 0.04 0.75 -0.06 0.00 -1.54 0.00 0.00 41.25 40.44 1b00 s ASN 43 CO 0.00 -1.42 1.11 -0.70 -3.04 0.00 0.00 177.10 173.06 1b00 s GLU 44 N -3.48 4.52 0.07 0.43 2.12 -1.26 -2.17 118.70 118.93 1b00 s GLU 44 Ca 0.14 1.67 -0.30 0.00 0.36 0.00 0.00 54.97 56.83 1b00 s GLU 44 Cb -0.05 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 1b00 s GLU 44 CO 0.09 -0.09 1.17 -1.25 -0.54 0.00 0.00 175.26 174.64 1b00 s PRO 45 N 0.56 4.46 0.51 4.30 0.04 -1.26 -5.14 135.00 138.46 1b00 s PRO 45 Ca 0.54 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 1b00 s PRO 45 Cb -0.27 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 1b00 s PRO 45 CO 0.31 -0.21 1.10 -1.58 0.04 0.00 0.00 177.00 176.66 1b00 s TRP 46 N 0.94 2.83 0.46 0.56 0.52 -0.92 -5.00 118.94 118.32 1b00 s TRP 46 Ca 0.57 1.56 -0.24 0.00 0.02 0.00 0.00 56.10 58.01 1b00 s TRP 46 Cb -0.29 -3.23 -0.07 0.00 -1.15 0.00 0.00 33.47 28.73 1b00 s TRP 46 CO 0.30 -1.29 1.29 -1.25 0.02 0.00 0.00 176.95 176.01 1b00 s PRO 47 N -3.13 3.68 0.04 4.98 0.04 -1.26 -4.84 135.00 134.50 1b00 s PRO 47 Ca 0.69 2.10 -0.07 0.00 0.04 0.00 0.00 61.00 63.75 1b00 s PRO 47 Cb -0.22 -2.53 -0.30 0.00 0.04 0.00 0.00 34.50 31.48 1b00 s PRO 47 CO 0.26 -0.71 1.02 -0.44 0.04 0.00 0.00 177.00 177.17 1b00 h ASP 48 N 2.18 0.54 -4.90 6.66 5.19 -0.87 -3.47 116.42 121.74 1b00 h ASP 48 Ca -0.50 -0.62 -0.13 0.00 -0.62 0.00 0.00 57.03 55.16 1b00 h ASP 48 Cb 1.26 -0.18 -0.21 0.00 0.18 0.00 0.00 39.33 40.39 1b00 h ASP 48 CO 0.60 1.49 -0.34 -0.22 -3.12 0.00 0.00 179.24 177.66 1b00 s LEU 49 N -7.24 1.04 -0.14 1.55 0.20 -1.11 -4.25 118.68 108.73 1b00 s LEU 49 Ca -0.07 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.81 1b00 s LEU 49 Cb 0.06 1.10 -0.01 0.00 -0.43 0.00 0.00 46.19 46.91 1b00 s LEU 49 CO 0.89 -0.40 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.76 1b00 s ILE 50 N -1.23 2.69 -0.31 6.68 1.01 0.02 -1.12 121.20 128.94 1b00 s ILE 50 Ca -0.13 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1b00 s ILE 50 Cb -0.06 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1b00 s ILE 50 CO 0.03 0.53 0.17 -0.76 0.00 0.00 0.00 174.94 174.91 1b00 s LEU 51 N 0.59 4.16 -0.18 2.97 1.43 0.02 -0.46 118.68 127.21 1b00 s LEU 51 Ca -0.09 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1b00 s LEU 51 Cb -0.16 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1b00 s LEU 51 CO 0.03 -0.17 -0.20 -0.22 0.23 0.00 0.00 176.35 176.02 1b00 s LEU 52 N 1.66 2.17 0.03 1.79 2.96 0.10 -1.03 118.68 126.36 1b00 s LEU 52 Ca 0.05 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 1b00 s LEU 52 Cb -0.17 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 1b00 s LEU 52 CO 0.08 -0.00 1.41 -0.62 -1.32 0.00 0.00 176.35 175.89 1b00 s ASP 53 N 1.29 6.84 0.37 3.68 -1.08 -0.55 -0.22 116.67 127.00 1b00 s ASP 53 Ca 0.05 2.17 0.10 0.00 -0.52 0.00 0.00 52.55 54.35 1b00 s ASP 53 Cb -0.13 -2.57 0.85 0.00 -1.46 0.00 0.00 42.92 39.61 1b00 s ASP 53 CO -0.13 -0.71 1.91 -0.25 0.52 0.00 0.00 175.17 176.51 1b00 h TRP 54 N 7.63 0.72 -2.97 -5.34 -0.00 -1.76 -3.40 115.95 110.84 1b00 h TRP 54 Ca -0.39 0.02 -0.63 0.00 -0.00 0.00 0.00 58.89 57.89 1b00 h TRP 54 Cb 1.19 -0.23 -0.08 0.00 -0.00 0.00 0.00 29.16 30.04 1b00 h TRP 54 CO 0.73 0.30 -0.36 1.41 -0.00 0.00 0.00 178.44 180.53 1b00 s MET 55 N -5.61 3.86 -0.16 2.65 1.75 -1.26 -1.89 119.30 118.63 1b00 s MET 55 Ca -0.09 0.09 -0.25 0.00 -1.25 0.00 0.00 55.69 54.18 1b00 s MET 55 Cb 0.21 -3.28 0.06 0.00 2.84 0.00 0.00 34.83 34.66 1b00 s MET 55 CO 0.78 0.57 0.65 -1.17 -0.65 0.00 0.00 175.02 175.20 1b00 s LEU 56 N -0.54 -0.49 0.67 4.11 1.98 -1.26 -4.73 118.68 118.41 1b00 s LEU 56 Ca 0.18 1.03 -0.11 0.00 -2.89 0.00 0.00 54.13 52.33 1b00 s LEU 56 Cb -0.14 2.31 -0.01 0.00 0.66 0.00 0.00 46.19 49.01 1b00 s LEU 56 CO 0.06 -0.38 1.07 -2.16 -1.89 0.00 0.00 176.35 173.05 1b00 s PRO 57 N -0.32 3.17 0.00 0.98 0.04 -1.26 -3.51 135.00 134.09 1b00 s PRO 57 Ca -0.05 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1b00 s PRO 57 Cb -0.03 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1b00 s PRO 57 CO 0.04 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1b00 n GLY 58 N -2.89 0.71 0.00 0.56 0.00 -1.26 -2.95 105.19 99.36 1b00 n GLY 58 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1b00 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b00 n GLY 59 N -0.03 2.26 0.00 -0.02 0.00 -1.26 -4.98 105.19 101.16 1b00 n GLY 59 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1b00 n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1b00 n SER 60 N 0.00 0.00 -0.19 1.61 2.88 -1.23 -4.89 113.62 111.80 1b00 n SER 60 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1b00 n SER 60 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1b00 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b00 n GLY 61 N 0.00 -0.93 0.31 0.46 0.00 -0.79 0.12 105.19 104.36 1b00 n GLY 61 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 1b00 n GLY 61 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b00 h ILE 62 N 0.00 1.26 -0.97 -0.61 2.04 -1.91 -2.67 117.51 114.65 1b00 h ILE 62 Ca 0.24 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 65.12 1b00 h ILE 62 Cb 0.37 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1b00 h ILE 62 CO -0.54 0.40 0.62 -0.61 0.00 0.00 0.00 178.15 178.02 1b00 h GLN 63 N 0.99 0.96 -0.18 2.37 4.15 0.54 0.30 115.11 124.25 1b00 h GLN 63 Ca 0.19 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1b00 h GLN 63 Cb 0.49 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1b00 h GLN 63 CO 0.02 0.64 -0.09 0.35 -1.93 0.00 0.00 178.83 177.82 1b00 h PHE 64 N 0.99 0.43 -0.68 3.99 -0.00 -1.09 -0.68 116.94 119.90 1b00 h PHE 64 Ca 0.46 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.97 58.30 1b00 h PHE 64 Cb 0.41 -0.10 -0.03 0.00 -0.00 0.00 0.00 35.95 36.23 1b00 h PHE 64 CO -0.00 0.68 0.33 0.82 -0.00 0.00 0.00 178.31 180.14 1b00 h ILE 65 N 0.06 1.22 -0.57 1.41 2.04 -1.13 0.31 117.51 120.84 1b00 h ILE 65 Ca 0.04 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1b00 h ILE 65 Cb 0.57 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1b00 h ILE 65 CO 0.03 0.26 0.28 0.50 0.00 0.00 0.00 178.15 179.21 1b00 h LYS 66 N 0.96 0.52 -0.14 2.37 3.11 -0.18 -1.80 116.57 121.41 1b00 h LYS 66 Ca 0.24 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.02 1b00 h LYS 66 Cb 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1b00 h LYS 66 CO -0.03 0.34 0.00 1.25 -2.81 0.00 0.00 179.45 178.20 1b00 h HIS 67 N 0.53 0.27 -0.44 1.91 2.76 0.27 -3.26 115.15 117.19 1b00 h HIS 67 Ca 0.26 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 1b00 h HIS 67 Cb 0.20 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.02 1b00 h HIS 67 CO -0.11 0.47 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.92 1b00 h LEU 68 N -0.02 -0.19 -1.17 0.26 3.38 0.13 -2.00 115.31 115.71 1b00 h LEU 68 Ca 0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1b00 h LEU 68 Cb 0.37 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1b00 h LEU 68 CO 0.01 -0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.77 1b00 n LYS 69 N -5.21 0.16 -0.07 1.13 4.76 -0.73 -2.72 118.16 115.47 1b00 n LYS 69 Ca 0.04 0.56 -0.15 0.00 -2.87 0.00 0.00 58.31 55.89 1b00 n LYS 69 Cb 0.23 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 31.45 1b00 n LYS 69 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1b00 h ARG 70 N 0.00 0.88 -6.19 1.97 9.65 -1.41 -3.44 114.38 115.83 1b00 h ARG 70 Ca 0.00 -0.57 -0.53 0.00 -1.10 0.00 0.00 59.98 57.78 1b00 h ARG 70 Cb 0.13 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1b00 h ARG 70 CO 0.00 1.21 -0.36 -2.00 2.80 0.00 0.00 179.97 181.61 1b00 s GLU 71 N -4.09 3.49 0.19 0.20 2.56 -1.18 -5.01 118.70 114.86 1b00 s GLU 71 Ca -0.11 -0.43 0.25 0.00 0.00 0.00 0.00 54.97 54.68 1b00 s GLU 71 Cb 0.10 -2.86 0.57 0.00 2.00 0.00 0.00 34.13 33.93 1b00 s GLU 71 CO 0.89 0.42 1.56 0.66 -0.56 0.00 0.00 175.26 178.23 1b00 h SER 72 N 1.91 0.00 1.17 -1.70 4.64 -1.87 -0.54 113.55 117.17 1b00 h SER 72 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1b00 h SER 72 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1b00 h SER 72 CO 0.67 0.04 -0.25 0.80 -0.87 0.00 0.00 176.83 177.23 1b00 n MET 73 N -2.28 0.24 0.00 4.77 0.00 -1.26 -4.05 117.12 114.54 1b00 n MET 73 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1b00 n MET 73 Cb 0.44 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.94 1b00 n MET 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1b00 n THR 74 N -2.11 0.00 0.26 1.12 -2.24 -1.21 -4.76 114.28 105.35 1b00 n THR 74 Ca 0.05 -0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1b00 n THR 74 Cb 0.42 0.55 0.82 0.00 -2.10 0.00 0.00 70.33 70.02 1b00 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1b00 h ARG 75 N 0.00 0.00 -0.03 -0.78 2.43 -0.89 -2.21 114.38 112.91 1b00 h ARG 75 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b00 h ARG 75 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1b00 h ARG 75 CO 0.00 0.00 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.18 1b00 n ASP 76 N -4.05 2.83 -4.67 -3.80 8.00 -1.26 -4.84 116.55 108.77 1b00 n ASP 76 Ca -0.02 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 1b00 n ASP 76 Cb 0.14 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1b00 n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b00 s ILE 77 N -2.03 3.82 0.47 0.53 1.01 -0.83 -4.96 121.20 119.21 1b00 s ILE 77 Ca 0.28 1.04 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 1b00 s ILE 77 Cb 0.20 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.93 1b00 s ILE 77 CO 0.32 -0.07 1.29 -2.16 0.00 0.00 0.00 174.94 174.32 1b00 s PRO 78 N 3.55 3.61 -0.05 2.79 0.04 -1.26 -4.85 135.00 138.82 1b00 s PRO 78 Ca 0.66 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.83 1b00 s PRO 78 Cb -0.29 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 1b00 s PRO 78 CO 0.24 -0.77 -0.19 0.08 0.04 0.00 0.00 177.00 176.41 1b00 s VAL 79 N -1.35 1.56 -0.15 -0.36 1.01 -1.26 -0.80 120.40 119.05 1b00 s VAL 79 Ca 0.64 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1b00 s VAL 79 Cb -0.36 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1b00 s VAL 79 CO 0.45 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 175.14 1b00 s VAL 80 N 0.12 1.75 0.20 2.92 1.01 0.39 -0.51 120.40 126.28 1b00 s VAL 80 Ca -0.07 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1b00 s VAL 80 Cb -0.13 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 1b00 s VAL 80 CO 0.03 0.49 0.79 -0.04 0.00 0.00 0.00 175.10 176.37 1b00 s MET 81 N 1.29 4.51 -0.15 2.72 -1.94 -0.53 -0.72 119.30 124.48 1b00 s MET 81 Ca 0.02 1.12 -0.04 0.00 -1.71 0.00 0.00 55.69 55.09 1b00 s MET 81 Cb -0.13 -3.12 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1b00 s MET 81 CO -0.09 0.50 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.89 1b00 s LEU 82 N -1.44 3.37 0.12 -0.03 1.43 0.69 0.40 118.68 123.22 1b00 s LEU 82 Ca 0.39 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1b00 s LEU 82 Cb -0.21 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1b00 s LEU 82 CO 0.25 0.20 0.07 0.42 0.23 0.00 0.00 176.35 177.52 1b00 s THR 83 N 0.20 0.11 0.75 5.49 -4.23 -0.16 -2.06 115.64 115.75 1b00 s THR 83 Ca -0.01 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.57 1b00 s THR 83 Cb -0.13 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1b00 s THR 83 CO 0.02 -0.52 1.09 0.00 -0.54 0.00 0.00 174.62 174.68 1b00 s ALA 84 N -4.02 2.53 -0.21 3.99 0.00 -1.26 0.43 121.76 123.22 1b00 s ALA 84 Ca 0.21 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 1b00 s ALA 84 Cb 0.07 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1b00 s ALA 84 CO -0.00 -1.46 0.10 0.50 0.00 0.00 0.00 175.76 174.89 1b00 s ARG 85 N -5.22 4.01 0.00 0.00 3.52 -1.18 -3.38 118.95 116.70 1b00 s ARG 85 Ca 0.60 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.88 1b00 s ARG 85 Cb -0.13 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1b00 s ARG 85 CO 0.53 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 1b00 n GLY 86 N 3.84 0.66 0.50 8.12 0.00 -1.26 -4.93 105.19 112.13 1b00 n GLY 86 Ca -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1b00 n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b00 n GLU 87 N 0.00 0.07 -0.06 1.61 0.00 -1.26 -4.66 120.64 116.33 1b00 n GLU 87 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 57.16 57.20 1b00 n GLU 87 Cb 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 31.44 31.03 1b00 n GLU 87 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1b00 n GLU 88 N -2.88 -0.02 -0.08 5.31 2.13 -1.26 0.15 120.64 124.00 1b00 n GLU 88 Ca -0.02 0.28 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 1b00 n GLU 88 Cb 0.07 -0.42 -0.05 0.00 0.27 0.00 0.00 31.44 31.30 1b00 n GLU 88 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1b00 h GLU 89 N 0.00 0.45 -0.62 5.31 4.11 -1.86 0.18 114.58 122.15 1b00 h GLU 89 Ca 0.09 -0.17 0.04 0.00 0.07 0.00 0.00 59.36 59.39 1b00 h GLU 89 Cb 0.15 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1b00 h GLU 89 CO -0.18 0.68 0.41 -0.44 0.07 0.00 0.00 179.01 179.55 1b00 h ASP 90 N 0.18 0.60 0.66 3.06 3.45 0.12 1.15 116.42 125.64 1b00 h ASP 90 Ca 0.06 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 1b00 h ASP 90 Cb 0.52 -0.14 0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1b00 h ASP 90 CO 0.02 0.41 -0.32 -0.09 -1.57 0.00 0.00 179.24 177.70 1b00 h ARG 91 N 0.70 -0.85 -0.58 3.56 2.43 -0.50 -1.27 114.38 117.88 1b00 h ARG 91 Ca 0.25 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1b00 h ARG 91 Cb 0.13 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1b00 h ARG 91 CO -0.07 -0.57 0.32 0.28 -1.51 0.00 0.00 179.97 178.43 1b00 h VAL 92 N -0.95 1.17 -0.30 0.20 2.07 -0.32 0.10 116.25 118.24 1b00 h VAL 92 Ca -0.09 -0.42 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 1b00 h VAL 92 Cb 0.68 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1b00 h VAL 92 CO 0.15 0.19 0.22 -1.14 0.02 0.00 0.00 177.57 177.00 1b00 n ARG 93 N -4.40 1.41 0.00 1.57 0.63 0.39 -2.92 116.66 113.34 1b00 n ARG 93 Ca 0.05 -0.92 0.00 0.00 -0.92 0.00 0.00 57.85 56.07 1b00 n ARG 93 Cb 0.09 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1b00 n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b00 n GLY 94 N 0.26 0.00 0.00 5.14 0.00 0.32 -4.83 105.19 106.09 1b00 n GLY 94 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1b00 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b00 n LEU 95 N -0.57 0.00 -3.48 0.99 4.77 -1.00 -5.07 117.00 112.64 1b00 n LEU 95 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1b00 n LEU 95 Cb 0.05 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1b00 n LEU 95 CO 0.00 0.00 -0.31 -1.61 -1.33 0.00 0.00 177.39 174.14 1b00 s GLU 96 N 3.07 0.60 -0.01 3.23 8.01 -1.26 -4.93 118.70 127.40 1b00 s GLU 96 Ca 0.00 -1.37 0.19 0.00 0.01 0.00 0.00 54.97 53.80 1b00 s GLU 96 Cb 0.00 -1.37 -0.21 0.00 -4.31 0.00 0.00 34.13 28.24 1b00 s GLU 96 CO 0.00 -1.21 0.57 0.25 0.01 0.00 0.00 175.26 174.88 1b00 n THR 97 N 4.01 0.82 -0.90 3.63 -2.24 -1.26 -4.96 114.28 113.38 1b00 n THR 97 Ca 0.12 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1b00 n THR 97 Cb 0.37 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1b00 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b00 n GLY 98 N 1.42 0.50 3.75 3.38 0.00 -1.26 -4.89 105.19 108.09 1b00 n GLY 98 Ca -0.12 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1b00 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b00 s ALA 99 N -2.00 3.50 0.32 4.61 0.00 -1.26 -4.86 121.76 122.07 1b00 s ALA 99 Ca 0.00 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.17 1b00 s ALA 99 Cb 0.00 -3.46 0.54 0.00 0.00 0.00 0.00 23.12 20.20 1b00 s ALA 99 CO 0.00 -0.54 1.79 -0.44 0.00 0.00 0.00 175.76 176.57 1b00 h ASP 100 N 4.33 0.37 -5.07 0.00 3.45 -1.19 -3.47 116.42 114.83 1b00 h ASP 100 Ca -0.47 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 56.87 1b00 h ASP 100 Cb 1.22 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.85 1b00 h ASP 100 CO 0.71 0.60 0.17 -0.62 -1.57 0.00 0.00 179.24 178.53 1b00 s ASP 101 N -6.83 -0.03 0.00 6.45 -1.08 -1.21 -5.04 116.67 108.93 1b00 s ASP 101 Ca -0.06 -0.94 0.01 0.00 -0.52 0.00 0.00 52.55 51.04 1b00 s ASP 101 Cb 0.14 0.76 -0.01 0.00 -1.46 0.00 0.00 42.92 42.35 1b00 s ASP 101 CO 0.77 -1.46 -0.04 -0.31 0.52 0.00 0.00 175.17 174.65 1b00 s TYR 102 N -3.21 0.38 -0.05 -5.34 2.02 -1.26 -1.45 117.35 108.43 1b00 s TYR 102 Ca 0.16 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 1b00 s TYR 102 Cb -0.05 -0.24 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1b00 s TYR 102 CO 0.10 -0.02 -0.08 0.42 -1.57 0.00 0.00 175.55 174.40 1b00 s ILE 103 N -0.31 0.78 -0.10 2.71 1.01 0.16 -4.92 121.20 120.54 1b00 s ILE 103 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1b00 s ILE 103 Cb -0.03 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1b00 s ILE 103 CO -0.00 0.28 0.10 0.42 0.00 0.00 0.00 174.94 175.73 1b00 s THR 104 N 0.79 5.12 0.11 2.92 -4.23 -1.26 -0.98 115.64 118.11 1b00 s THR 104 Ca -0.13 0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.24 1b00 s THR 104 Cb -0.15 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.40 1b00 s THR 104 CO 0.02 0.60 0.59 -0.54 -0.54 0.00 0.00 174.62 174.75 1b00 s LYS 105 N -1.04 4.18 0.27 3.99 1.02 0.17 -3.15 119.74 125.18 1b00 s LYS 105 Ca 0.15 0.73 -0.25 0.00 0.02 0.00 0.00 55.97 56.61 1b00 s LYS 105 Cb -0.12 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 33.96 1b00 s LYS 105 CO 0.04 0.58 0.88 -1.25 -0.92 0.00 0.00 175.35 174.68 1b00 s PRO 106 N -1.37 4.55 0.38 -1.68 0.04 -1.26 -3.10 135.00 132.57 1b00 s PRO 106 Ca 0.32 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.68 1b00 s PRO 106 Cb -0.19 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 1b00 s PRO 106 CO 0.20 0.38 0.03 -0.59 0.04 0.00 0.00 177.00 177.06 1b00 s PHE 107 N -1.47 2.53 0.10 0.56 -0.71 -1.19 -5.07 117.98 112.72 1b00 s PHE 107 Ca 0.45 -0.56 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1b00 s PHE 107 Cb -0.20 -1.68 -0.05 0.00 -1.21 0.00 0.00 43.02 39.88 1b00 s PHE 107 CO 0.25 0.42 0.33 -1.54 -1.34 0.00 0.00 175.22 173.34 1b00 s SER 108 N -3.74 6.48 0.22 1.98 1.04 -1.26 -4.99 113.70 113.43 1b00 s SER 108 Ca 0.36 0.54 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 1b00 s SER 108 Cb 0.05 -2.07 0.31 0.00 0.10 0.00 0.00 66.02 64.41 1b00 s SER 108 CO 0.19 0.12 1.78 -0.65 0.98 0.00 0.00 173.24 175.66 1b00 h PRO 109 N 3.13 0.58 -0.89 4.02 0.11 -2.00 -1.45 132.00 135.51 1b00 h PRO 109 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b00 h PRO 109 Cb 1.17 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1b00 h PRO 109 CO 0.72 0.39 0.57 -0.22 -0.21 0.00 0.00 178.00 179.24 1b00 h LYS 110 N 0.60 1.18 -0.10 1.05 3.64 -2.00 -2.04 116.57 118.92 1b00 h LYS 110 Ca 0.34 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1b00 h LYS 110 Cb 0.34 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1b00 h LYS 110 CO -0.25 0.80 -0.06 1.49 -2.27 0.00 0.00 179.45 179.16 1b00 h GLU 111 N 1.21 0.21 -0.19 1.90 4.81 -1.79 -1.70 114.58 119.03 1b00 h GLU 111 Ca 0.32 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1b00 h GLU 111 Cb -0.11 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1b00 h GLU 111 CO -0.07 0.58 -0.08 1.25 -0.73 0.00 0.00 179.01 179.97 1b00 h LEU 112 N -0.17 -0.26 -0.80 1.64 5.85 -1.11 -1.08 115.31 119.37 1b00 h LEU 112 Ca 0.02 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1b00 h LEU 112 Cb 0.53 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1b00 h LEU 112 CO 0.02 -0.10 0.29 0.58 -0.34 0.00 0.00 178.44 178.88 1b00 h VAL 113 N -0.05 1.26 -0.40 1.05 2.07 -1.42 -1.68 116.25 117.09 1b00 h VAL 113 Ca 0.10 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1b00 h VAL 113 Cb 0.20 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1b00 h VAL 113 CO -0.22 0.34 0.22 0.00 0.02 0.00 0.00 177.57 177.93 1b00 h ALA 114 N 1.17 0.50 0.09 1.67 0.00 -0.81 -0.49 119.26 121.39 1b00 h ALA 114 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1b00 h ALA 114 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b00 h ALA 114 CO -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 1b00 h ARG 115 N 0.45 -0.12 -0.26 0.00 2.47 -1.02 -2.18 114.38 113.71 1b00 h ARG 115 Ca 0.16 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.95 1b00 h ARG 115 Cb 0.03 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1b00 h ARG 115 CO -0.09 0.14 -0.12 0.82 0.56 0.00 0.00 179.97 181.28 1b00 h ILE 116 N -0.38 0.61 -0.85 2.04 2.04 -1.14 -1.92 117.51 117.91 1b00 h ILE 116 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1b00 h ILE 116 Cb 0.32 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1b00 h ILE 116 CO 0.02 0.00 0.55 0.11 0.00 0.00 0.00 178.15 178.83 1b00 h LYS 117 N -0.09 1.05 -0.04 2.37 1.57 -1.07 0.34 116.57 120.70 1b00 h LYS 117 Ca 0.14 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1b00 h LYS 117 Cb 0.30 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1b00 h LYS 117 CO -0.32 0.69 -0.18 0.00 -0.57 0.00 0.00 179.45 179.07 1b00 h ALA 118 N 1.35 -0.20 -0.52 3.86 0.00 -0.76 0.51 119.26 123.50 1b00 h ALA 118 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1b00 h ALA 118 Cb -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1b00 h ALA 118 CO -0.11 -0.67 0.24 0.28 0.00 0.00 0.00 179.25 178.99 1b00 h VAL 119 N -0.28 1.20 -0.89 0.00 2.07 -0.69 -2.27 116.25 115.39 1b00 h VAL 119 Ca 0.07 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1b00 h VAL 119 Cb 0.37 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1b00 h VAL 119 CO -0.20 0.23 0.59 0.24 0.02 0.00 0.00 177.57 178.45 1b00 h MET 120 N 0.70 1.15 -0.27 1.57 2.07 0.37 -1.22 114.93 119.29 1b00 h MET 120 Ca 0.18 -0.07 0.03 0.00 -2.07 0.00 0.00 59.70 57.77 1b00 h MET 120 Cb 0.14 -0.26 -0.03 0.00 -1.87 0.00 0.00 31.60 29.58 1b00 h MET 120 CO -0.02 0.76 0.07 -0.09 1.07 0.00 0.00 176.91 178.69 1b00 h ARG 121 N 1.18 0.17 -0.57 1.72 2.43 0.54 -2.82 114.38 117.02 1b00 h ARG 121 Ca 0.34 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1b00 h ARG 121 Cb -0.09 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1b00 h ARG 121 CO -0.08 0.11 0.30 -0.09 -1.51 0.00 0.00 179.97 178.70 1b00 h ARG 122 N 0.17 0.81 -0.00 0.20 2.43 -0.86 -3.51 114.38 113.61 1b00 h ARG 122 Ca 0.12 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1b00 h ARG 122 Cb 0.12 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1b00 h ARG 122 CO -0.15 0.63 0.00 1.51 -1.51 0.00 0.00 179.97 180.45