#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b00 n ARG 3 N 0.00 1.27 -2.42 0.00 1.74 -1.26 -4.89 116.66 111.09 1b00 n ARG 3 Ca 0.00 -1.71 -0.42 0.00 -0.77 0.00 0.00 57.85 54.95 1b00 n ARG 3 Cb 0.00 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1b00 n ARG 3 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1b00 s ARG 4 N -1.43 3.38 -0.28 5.56 3.52 -1.26 -0.43 118.95 128.01 1b00 s ARG 4 Ca 0.13 0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 56.13 1b00 s ARG 4 Cb 0.12 -4.09 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 1b00 s ARG 4 CO 0.01 -1.83 0.09 0.42 -0.81 0.00 0.00 175.30 173.18 1b00 s ILE 5 N 5.75 4.25 -0.24 4.11 -1.09 -0.31 0.02 121.20 133.69 1b00 s ILE 5 Ca 0.52 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 58.28 1b00 s ILE 5 Cb -0.10 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1b00 s ILE 5 CO 0.26 0.18 0.79 -0.22 -1.23 0.00 0.00 174.94 174.73 1b00 s LEU 6 N 1.57 4.08 -0.38 2.97 2.96 0.10 0.27 118.68 130.26 1b00 s LEU 6 Ca 0.05 0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 54.83 1b00 s LEU 6 Cb -0.16 -3.13 0.03 0.00 0.50 0.00 0.00 46.19 43.43 1b00 s LEU 6 CO 0.04 -0.49 0.21 -0.69 -1.32 0.00 0.00 176.35 174.09 1b00 s VAL 7 N 2.77 4.50 -0.58 1.68 1.01 0.27 -0.20 120.40 129.84 1b00 s VAL 7 Ca 0.33 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 1b00 s VAL 7 Cb -0.15 -3.54 0.15 0.00 0.00 0.00 0.00 36.38 32.84 1b00 s VAL 7 CO 0.08 -0.26 0.48 -0.69 0.00 0.00 0.00 175.10 174.70 1b00 s VAL 8 N 1.53 4.64 -0.17 2.92 1.01 -0.01 -0.97 120.40 129.35 1b00 s VAL 8 Ca 0.02 -2.03 -0.07 0.00 0.00 0.00 0.00 61.98 59.89 1b00 s VAL 8 Cb -0.20 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.27 1b00 s VAL 8 CO 0.06 -0.86 0.39 -0.70 0.00 0.00 0.00 175.10 173.98 1b00 s GLU 9 N 0.97 0.32 0.18 2.72 2.56 -0.83 -1.60 118.70 123.03 1b00 s GLU 9 Ca 0.09 0.87 0.07 0.00 0.00 0.00 0.00 54.97 56.00 1b00 s GLU 9 Cb -0.23 0.12 0.04 0.00 2.00 0.00 0.00 34.13 36.06 1b00 s GLU 9 CO -0.02 -0.21 1.42 0.38 -0.56 0.00 0.00 175.26 176.27 1b00 h ASP 10 N 7.71 0.08 -3.04 -1.70 2.03 -1.79 -3.41 116.42 116.29 1b00 h ASP 10 Ca -0.25 -0.06 -0.57 0.00 -0.73 0.00 0.00 57.03 55.42 1b00 h ASP 10 Cb 1.14 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 39.58 1b00 h ASP 10 CO 0.21 0.87 1.08 -0.70 -1.03 0.00 0.00 179.24 179.68 1b00 s GLU 11 N -3.16 3.69 0.13 4.15 2.56 -1.26 -4.94 118.70 119.88 1b00 s GLU 11 Ca -0.01 1.26 -0.29 0.00 0.00 0.00 0.00 54.97 55.92 1b00 s GLU 11 Cb 0.11 -4.01 -0.05 0.00 2.00 0.00 0.00 34.13 32.18 1b00 s GLU 11 CO 0.80 -1.42 1.58 0.00 -0.56 0.00 0.00 175.26 175.66 1b00 h ALA 12 N 10.61 -0.59 -1.00 6.30 0.00 -1.98 0.54 119.26 133.13 1b00 h ALA 12 Ca -0.29 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1b00 h ALA 12 Cb 1.12 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 1b00 h ALA 12 CO 1.04 -0.93 0.65 -1.00 0.00 0.00 0.00 179.25 179.01 1b00 h PRO 13 N -0.47 1.15 0.25 0.00 0.13 -1.98 0.30 132.00 131.38 1b00 h PRO 13 Ca 0.08 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1b00 h PRO 13 Cb 0.62 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1b00 h PRO 13 CO -0.44 0.76 -0.12 0.82 -0.23 0.00 0.00 178.00 178.80 1b00 h ILE 14 N 1.19 0.81 -0.87 -3.56 2.04 -1.84 0.75 117.51 116.04 1b00 h ILE 14 Ca 0.42 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1b00 h ILE 14 Cb 0.13 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1b00 h ILE 14 CO -0.16 0.10 0.56 -0.09 0.00 0.00 0.00 178.15 178.56 1b00 h ARG 15 N -0.56 0.69 -0.19 2.37 2.43 -0.49 -0.62 114.38 118.01 1b00 h ARG 15 Ca -0.03 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.90 1b00 h ARG 15 Cb 0.41 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1b00 h ARG 15 CO 0.06 0.46 -0.67 0.93 -1.51 0.00 0.00 179.97 179.24 1b00 h GLU 16 N 0.71 0.74 -0.69 0.20 5.08 -0.11 -1.83 114.58 118.69 1b00 h GLU 16 Ca 0.42 -0.54 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1b00 h GLU 16 Cb 0.63 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1b00 h GLU 16 CO -0.19 1.16 0.41 0.52 -1.00 0.00 0.00 179.01 179.92 1b00 h MET 17 N 0.54 0.76 -0.42 2.33 2.86 0.57 0.71 114.93 122.27 1b00 h MET 17 Ca -0.02 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1b00 h MET 17 Cb 1.27 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1b00 h MET 17 CO 0.14 0.50 0.12 0.28 1.06 0.00 0.00 176.91 179.01 1b00 h VAL 18 N 0.78 1.22 -0.48 -2.22 2.07 -1.09 -2.09 116.25 114.45 1b00 h VAL 18 Ca 0.29 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1b00 h VAL 18 Cb 0.09 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1b00 h VAL 18 CO -0.14 0.27 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 1b00 h PHE 20 N 0.75 -0.08 -0.80 0.00 3.57 -0.70 0.20 116.94 119.88 1b00 h PHE 20 Ca 0.14 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1b00 h PHE 20 Cb 0.51 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1b00 h PHE 20 CO 0.03 0.04 0.50 0.28 -2.23 0.00 0.00 178.31 176.93 1b00 h VAL 21 N -0.19 1.08 0.13 1.41 2.07 -1.24 0.37 116.25 119.89 1b00 h VAL 21 Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1b00 h VAL 21 Cb 0.16 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1b00 h VAL 21 CO 0.01 0.17 -0.06 -0.07 0.02 0.00 0.00 177.57 177.64 1b00 h LEU 22 N 0.95 -0.15 -0.36 2.57 3.38 -0.99 -2.41 115.31 118.30 1b00 h LEU 22 Ca 0.33 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1b00 h LEU 22 Cb 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1b00 h LEU 22 CO -0.14 0.15 0.20 -0.33 0.09 0.00 0.00 178.44 178.41 1b00 h GLU 23 N -0.47 0.39 0.00 1.13 5.08 -0.41 -0.55 114.58 119.76 1b00 h GLU 23 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1b00 h GLU 23 Cb 0.37 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1b00 h GLU 23 CO 0.03 0.26 -0.03 1.96 -1.00 0.00 0.00 179.01 180.23 1b00 h GLN 24 N 0.40 0.00 -0.56 2.33 1.08 -0.93 -1.52 115.11 115.91 1b00 h GLN 24 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1b00 h GLN 24 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1b00 h GLN 24 CO -0.08 0.03 0.00 0.09 -0.95 0.00 0.00 178.83 177.92 1b00 n ASN 25 N -4.00 3.11 0.00 1.46 3.02 -0.54 -4.92 115.26 113.39 1b00 n ASN 25 Ca -0.03 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1b00 n ASN 25 Cb 0.12 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1b00 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b00 n GLY 26 N 1.03 0.58 3.97 7.41 0.00 -0.57 -5.05 105.19 112.57 1b00 n GLY 26 Ca 0.17 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.24 -0.58 1.61 0.08 -0.32 -4.99 117.98 115.03 1b00 s PHE 27 Ca 0.00 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1b00 s PHE 27 Cb 0.00 -1.95 0.15 0.00 -0.57 0.00 0.00 43.02 40.65 1b00 s PHE 27 CO 0.00 0.04 0.37 -0.65 -0.10 0.00 0.00 175.22 174.88 1b00 s GLN 28 N -4.21 2.34 0.52 0.44 -0.21 0.43 -3.98 119.66 114.99 1b00 s GLN 28 Ca 0.43 -2.53 -0.21 0.00 0.02 0.00 0.00 55.36 53.07 1b00 s GLN 28 Cb -0.09 -3.59 -0.06 0.00 1.00 0.00 0.00 33.01 30.27 1b00 s GLN 28 CO 0.32 -1.14 1.15 -1.25 -2.12 0.00 0.00 175.29 172.25 1b00 s PRO 29 N -0.08 3.45 -0.04 2.91 0.04 -1.26 -1.16 135.00 138.86 1b00 s PRO 29 Ca 0.17 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1b00 s PRO 29 Cb -0.22 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1b00 s PRO 29 CO -0.02 -0.79 -0.05 0.08 0.04 0.00 0.00 177.00 176.26 1b00 s VAL 30 N -1.68 0.54 0.08 -0.36 1.01 0.14 -4.83 120.40 115.30 1b00 s VAL 30 Ca 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1b00 s VAL 30 Cb -0.26 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1b00 s VAL 30 CO 0.30 0.22 0.25 -1.61 0.00 0.00 0.00 175.10 174.26 1b00 s GLU 31 N 0.81 3.47 -0.10 2.72 2.02 -1.26 0.94 118.70 127.29 1b00 s GLU 31 Ca -0.11 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 1b00 s GLU 31 Cb -0.14 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.12 1b00 s GLU 31 CO 0.00 0.58 0.27 0.00 0.02 0.00 0.00 175.26 176.13 1b00 s ALA 32 N -1.56 -0.66 -0.95 5.21 0.00 -0.15 -4.88 121.76 118.77 1b00 s ALA 32 Ca 0.36 0.77 0.14 0.00 0.00 0.00 0.00 51.96 53.22 1b00 s ALA 32 Cb -0.13 -0.45 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 1b00 s ALA 32 CO 0.28 -0.13 0.67 0.39 0.00 0.00 0.00 175.76 176.97 1b00 n GLU 33 N 2.97 2.21 -3.82 0.00 1.02 -1.26 -1.96 120.64 119.79 1b00 n GLU 33 Ca -0.13 -0.36 -0.08 0.00 -0.02 0.00 0.00 57.16 56.56 1b00 n GLU 33 Cb 0.58 -1.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.84 1b00 n GLU 33 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1b00 s ASP 34 N -2.00 -0.06 0.13 1.62 3.84 -1.26 -3.90 116.67 115.04 1b00 s ASP 34 Ca 0.08 -1.01 -0.28 0.00 -0.00 0.00 0.00 52.55 51.34 1b00 s ASP 34 Cb 0.11 0.82 -0.05 0.00 -1.38 0.00 0.00 42.92 42.42 1b00 s ASP 34 CO 0.45 -1.61 1.60 0.22 -0.00 0.00 0.00 175.17 175.84 1b00 h TYR 35 N 2.00 -1.05 -0.45 2.11 3.20 -1.65 -0.45 116.97 120.68 1b00 h TYR 35 Ca -0.29 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.55 1b00 h TYR 35 Cb 1.25 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 1b00 h TYR 35 CO 1.13 -0.45 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.76 1b00 h ASP 36 N -0.48 0.70 0.63 -2.11 3.32 -1.86 -1.03 116.42 115.59 1b00 h ASP 36 Ca 0.07 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1b00 h ASP 36 Cb 0.60 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1b00 h ASP 36 CO -0.35 0.77 -0.65 0.77 -1.72 0.00 0.00 179.24 178.06 1b00 h SER 37 N 0.69 0.02 -0.01 6.45 4.64 -1.92 -1.33 113.55 122.09 1b00 h SER 37 Ca 0.14 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b00 h SER 37 Cb 0.43 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1b00 h SER 37 CO 0.02 0.67 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1b00 h ALA 38 N 1.33 0.01 -0.56 5.18 0.00 -0.72 -2.75 119.26 121.76 1b00 h ALA 38 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1b00 h ALA 38 Cb 1.15 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1b00 h ALA 38 CO 0.09 -0.35 0.38 0.28 0.00 0.00 0.00 179.25 179.64 1b00 h VAL 39 N -0.25 0.87 0.00 0.00 2.07 -0.97 0.81 116.25 118.78 1b00 h VAL 39 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1b00 h VAL 39 Cb 0.27 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1b00 h VAL 39 CO 0.00 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.24 1b00 n ASN 40 N -4.46 0.15 -0.22 0.57 3.02 -0.52 -2.13 115.26 111.66 1b00 n ASN 40 Ca 0.09 0.54 0.11 0.00 -0.03 0.00 0.00 54.58 55.29 1b00 n ASN 40 Cb 0.41 -0.57 0.11 0.00 -0.61 0.00 0.00 39.78 39.12 1b00 n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b00 n GLN 41 N -1.66 0.60 -2.56 3.52 1.13 0.28 -4.72 117.38 113.97 1b00 n GLN 41 Ca 0.03 -0.45 -0.43 0.00 -1.94 0.00 0.00 57.00 54.22 1b00 n GLN 41 Cb 0.18 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 -0.81 5.06 -3.64 1.08 4.77 -0.91 -4.63 117.00 117.92 1b00 n LEU 42 Ca 0.08 -3.97 -0.06 0.00 -0.03 0.00 0.00 56.01 52.04 1b00 n LEU 42 Cb 0.38 -1.74 -0.02 0.00 -2.33 0.00 0.00 43.42 39.72 1b00 n LEU 42 CO 0.33 0.24 0.70 0.54 -1.33 0.00 0.00 177.39 177.86 1b00 s ASN 43 N 4.08 -0.27 0.22 -1.43 2.20 -1.26 -5.07 114.94 113.41 1b00 s ASN 43 Ca 0.53 -0.23 -0.31 0.00 -0.94 0.00 0.00 52.86 51.91 1b00 s ASN 43 Cb 0.04 0.45 -0.10 0.00 -2.00 0.00 0.00 41.25 39.64 1b00 s ASN 43 CO 0.07 -0.80 1.55 -1.83 -2.94 0.00 0.00 177.10 173.15 1b00 s GLU 44 N -3.24 4.20 0.13 3.55 -1.05 -1.26 -2.24 118.70 118.79 1b00 s GLU 44 Ca 0.09 2.41 -0.30 0.00 -0.15 0.00 0.00 54.97 57.02 1b00 s GLU 44 Cb -0.01 -3.11 -0.06 0.00 -0.44 0.00 0.00 34.13 30.50 1b00 s GLU 44 CO -0.03 -0.57 1.02 -1.25 0.95 0.00 0.00 175.26 175.38 1b00 s PRO 45 N 0.42 4.65 0.29 -4.83 0.04 -1.26 -5.14 135.00 129.17 1b00 s PRO 45 Ca 0.66 1.56 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1b00 s PRO 45 Cb -0.45 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 1b00 s PRO 45 CO 0.38 0.14 1.02 -1.58 0.04 0.00 0.00 177.00 177.00 1b00 s TRP 46 N -0.03 3.68 0.44 0.56 0.52 -0.95 -4.98 118.94 118.18 1b00 s TRP 46 Ca 0.48 1.77 -0.25 0.00 0.02 0.00 0.00 56.10 58.12 1b00 s TRP 46 Cb -0.26 -3.12 -0.08 0.00 -1.15 0.00 0.00 33.47 28.86 1b00 s TRP 46 CO 0.32 -0.14 1.43 -2.14 0.02 0.00 0.00 176.95 176.43 1b00 s PRO 47 N -1.59 3.72 0.11 4.98 0.02 -1.26 -4.86 135.00 136.12 1b00 s PRO 47 Ca 0.46 2.42 0.24 0.00 0.02 0.00 0.00 61.00 64.14 1b00 s PRO 47 Cb -0.27 -2.68 0.39 0.00 0.02 0.00 0.00 34.50 31.96 1b00 s PRO 47 CO 0.34 -0.79 1.36 -0.25 -0.33 0.00 0.00 177.00 177.33 1b00 n ASP 48 N -0.14 0.68 -3.60 2.53 9.92 0.10 -4.89 116.55 121.15 1b00 n ASP 48 Ca 0.05 0.12 -0.12 0.00 -0.53 0.00 0.00 54.79 54.30 1b00 n ASP 48 Cb 0.42 0.12 -0.06 0.00 -0.64 0.00 0.00 41.12 40.95 1b00 n ASP 48 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1b00 s LEU 49 N -4.13 -0.53 -0.13 0.64 0.20 -1.17 -4.27 118.68 109.29 1b00 s LEU 49 Ca 0.07 0.85 0.02 0.00 0.69 0.00 0.00 54.13 55.76 1b00 s LEU 49 Cb 0.14 2.13 0.00 0.00 -0.43 0.00 0.00 46.19 48.03 1b00 s LEU 49 CO 0.71 -0.31 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.64 1b00 s ILE 50 N -0.33 2.36 -0.38 6.68 1.01 -0.82 -0.72 121.20 128.99 1b00 s ILE 50 Ca -0.01 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 1b00 s ILE 50 Cb -0.03 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1b00 s ILE 50 CO 0.00 0.54 0.24 -0.76 0.00 0.00 0.00 174.94 174.96 1b00 s LEU 51 N 0.61 4.81 -0.28 2.97 1.43 0.72 -1.13 118.68 127.81 1b00 s LEU 51 Ca -0.11 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1b00 s LEU 51 Cb -0.16 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1b00 s LEU 51 CO 0.03 -0.39 0.06 -0.22 0.23 0.00 0.00 176.35 176.06 1b00 s LEU 52 N 1.61 3.67 -0.12 1.79 2.96 0.18 -0.83 118.68 127.94 1b00 s LEU 52 Ca 0.03 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.05 1b00 s LEU 52 Cb -0.19 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1b00 s LEU 52 CO 0.08 -0.15 1.24 -0.62 -1.32 0.00 0.00 176.35 175.58 1b00 s ASP 53 N 1.51 6.98 0.41 3.68 2.15 -0.63 0.14 116.67 130.92 1b00 s ASP 53 Ca 0.03 1.74 0.15 0.00 0.43 0.00 0.00 52.55 54.91 1b00 s ASP 53 Cb -0.17 -2.55 1.01 0.00 -0.30 0.00 0.00 42.92 40.92 1b00 s ASP 53 CO 0.02 -0.69 1.88 -0.25 -0.17 0.00 0.00 175.17 175.96 1b00 h TRP 54 N 7.91 0.59 -0.47 -5.34 2.91 -1.70 -1.00 115.95 118.85 1b00 h TRP 54 Ca -0.30 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.67 1b00 h TRP 54 Cb 1.13 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.55 1b00 h TRP 54 CO 0.77 0.19 0.09 -1.33 -1.03 0.00 0.00 178.44 177.14 1b00 n MET 55 N -4.51 3.45 -1.72 2.65 2.81 -1.26 -4.51 117.12 114.02 1b00 n MET 55 Ca 0.17 -2.25 -0.43 0.00 -1.81 0.00 0.00 57.70 53.39 1b00 n MET 55 Cb 0.58 -2.02 -0.01 0.00 -0.71 0.00 0.00 33.22 31.06 1b00 n MET 55 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1b00 n LEU 56 N 0.23 3.89 -4.78 4.03 -0.00 -0.38 -4.95 117.00 115.03 1b00 n LEU 56 Ca 0.24 1.17 -0.32 0.00 -0.00 0.00 0.00 56.01 57.10 1b00 n LEU 56 Cb 1.01 -1.53 0.05 0.00 -0.00 0.00 0.00 43.42 42.95 1b00 n LEU 56 CO 0.27 -0.16 0.72 -2.84 -0.00 0.00 0.00 177.39 175.39 1b00 s PRO 57 N -0.96 2.86 0.00 1.47 0.02 -1.26 -4.22 135.00 132.91 1b00 s PRO 57 Ca 0.62 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1b00 s PRO 57 Cb -0.55 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.00 1b00 s PRO 57 CO 0.54 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1b00 n GLY 58 N -0.94 0.75 0.00 0.52 0.00 -1.26 -1.76 105.19 102.50 1b00 n GLY 58 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 -1.13 3.69 -0.02 0.00 -1.26 -4.78 105.19 99.68 1b00 n GLY 59 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1b00 n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b00 s SER 60 N -4.00 5.88 0.54 1.61 0.15 -1.26 -4.86 113.70 111.75 1b00 s SER 60 Ca 0.00 0.17 0.31 0.00 0.70 0.00 0.00 55.95 57.13 1b00 s SER 60 Cb 0.00 -2.00 1.50 0.00 -1.71 0.00 0.00 66.02 63.81 1b00 s SER 60 CO 0.00 0.20 2.06 1.23 1.20 0.00 0.00 173.24 177.93 1b00 h GLY 61 N 6.51 0.00 0.48 9.45 0.00 -1.90 -1.86 103.07 115.75 1b00 h GLY 61 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1b00 h GLY 61 CO 0.71 0.00 -0.00 -2.22 0.00 0.00 0.00 176.54 175.03 1b00 h ILE 62 N 0.00 1.39 -0.37 2.60 2.04 -1.93 -2.87 117.51 118.37 1b00 h ILE 62 Ca -0.00 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 1b00 h ILE 62 Cb 0.39 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1b00 h ILE 62 CO 0.01 0.31 -0.04 1.56 0.00 0.00 0.00 178.15 179.99 1b00 h GLN 63 N -0.53 0.60 0.01 2.37 4.20 -1.84 -0.89 115.11 119.02 1b00 h GLN 63 Ca -0.00 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1b00 h GLN 63 Cb 0.52 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1b00 h GLN 63 CO 0.00 0.65 -0.10 0.35 -0.67 0.00 0.00 178.83 179.06 1b00 h PHE 64 N 0.56 -0.26 -0.11 2.96 3.04 -1.37 0.18 116.94 121.94 1b00 h PHE 64 Ca 0.11 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1b00 h PHE 64 Cb 0.42 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1b00 h PHE 64 CO 0.02 -0.16 0.04 0.82 -2.02 0.00 0.00 178.31 177.01 1b00 h ILE 65 N -0.18 1.16 -0.18 1.41 2.04 -1.30 -2.90 117.51 117.56 1b00 h ILE 65 Ca 0.04 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1b00 h ILE 65 Cb 0.22 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1b00 h ILE 65 CO -0.10 0.14 -0.05 0.11 0.00 0.00 0.00 178.15 178.25 1b00 h LYS 66 N 0.02 0.26 0.00 2.37 1.79 -1.00 -1.73 116.57 118.28 1b00 h LYS 66 Ca 0.04 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1b00 h LYS 66 Cb 0.18 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1b00 h LYS 66 CO -0.00 0.34 -0.10 1.25 -1.08 0.00 0.00 179.45 179.86 1b00 h HIS 67 N 0.26 0.00 -0.20 -1.35 2.76 -0.50 -2.98 115.15 113.14 1b00 h HIS 67 Ca 0.06 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1b00 h HIS 67 Cb 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1b00 h HIS 67 CO 0.00 0.10 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.37 1b00 h LEU 68 N 0.00 0.39 0.00 0.26 3.38 -1.11 -2.92 115.31 115.31 1b00 h LEU 68 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1b00 h LEU 68 Cb 0.67 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1b00 h LEU 68 CO 0.01 0.68 0.00 0.29 0.09 0.00 0.00 178.44 179.51 1b00 n LYS 69 N -4.10 0.34 0.08 1.13 4.76 -1.12 -2.47 118.16 116.77 1b00 n LYS 69 Ca -0.01 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1b00 n LYS 69 Cb 0.42 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.19 1b00 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b00 h ARG 70 N 0.00 0.00 -6.31 1.97 3.08 -1.69 -3.45 114.38 107.98 1b00 h ARG 70 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1b00 h ARG 70 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.84 1b00 h ARG 70 CO 0.00 0.00 -0.83 -1.21 -1.07 0.00 0.00 179.97 176.86 1b00 s GLU 71 N -3.26 1.22 0.17 0.04 0.41 -1.12 -5.04 118.70 111.13 1b00 s GLU 71 Ca 0.03 -1.26 -0.14 0.00 -0.41 0.00 0.00 54.97 53.19 1b00 s GLU 71 Cb 0.12 -1.51 0.13 0.00 -1.78 0.00 0.00 34.13 31.09 1b00 s GLU 71 CO 0.76 0.35 1.74 1.03 -0.49 0.00 0.00 175.26 178.65 1b00 h SER 72 N 3.87 0.13 0.03 -0.19 0.87 -1.91 -0.52 113.55 115.83 1b00 h SER 72 Ca -0.47 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1b00 h SER 72 Cb 1.18 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1b00 h SER 72 CO 0.42 0.11 0.00 0.23 -0.53 0.00 0.00 176.83 177.05 1b00 n MET 73 N -5.03 0.79 0.00 2.24 2.81 -1.26 -3.87 117.12 112.80 1b00 n MET 73 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1b00 n MET 73 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1b00 n MET 73 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1b00 n THR 74 N -1.02 0.00 0.30 2.03 -2.24 -0.97 -4.84 114.28 107.54 1b00 n THR 74 Ca 0.19 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.14 1b00 n THR 74 Cb 0.10 0.22 0.94 0.00 -2.10 0.00 0.00 70.33 69.48 1b00 n THR 74 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1b00 h ARG 75 N 0.00 0.00 -0.46 -0.78 0.11 -0.78 -2.68 114.38 109.80 1b00 h ARG 75 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1b00 h ARG 75 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1b00 h ARG 75 CO 0.00 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 179.85 1b00 n ASP 76 N -3.56 3.51 -4.66 0.08 10.43 -1.26 -4.79 116.55 116.31 1b00 n ASP 76 Ca -0.03 -2.18 -0.43 0.00 2.57 0.00 0.00 54.79 54.73 1b00 n ASP 76 Cb 0.13 -0.37 -0.02 0.00 1.84 0.00 0.00 41.12 42.70 1b00 n ASP 76 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1b00 s ILE 77 N -1.33 4.49 0.39 0.53 1.01 -1.01 -4.99 121.20 120.29 1b00 s ILE 77 Ca 0.35 1.79 -0.26 0.00 0.00 0.00 0.00 60.65 62.53 1b00 s ILE 77 Cb 0.20 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 1b00 s ILE 77 CO 0.20 -0.20 1.19 -2.16 0.00 0.00 0.00 174.94 173.97 1b00 s PRO 78 N 3.39 4.08 -0.10 2.79 0.04 -1.26 -4.91 135.00 139.04 1b00 s PRO 78 Ca 0.49 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1b00 s PRO 78 Cb -0.18 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1b00 s PRO 78 CO 0.11 -0.31 -0.16 0.08 0.04 0.00 0.00 177.00 176.75 1b00 s VAL 79 N -1.37 1.53 -0.22 -0.36 1.01 -1.26 -1.94 120.40 117.79 1b00 s VAL 79 Ca 0.56 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1b00 s VAL 79 Cb -0.32 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1b00 s VAL 79 CO 0.40 0.44 -0.03 -0.69 0.00 0.00 0.00 175.10 175.23 1b00 s VAL 80 N 0.76 3.52 -0.04 2.92 1.01 -0.28 -0.40 120.40 127.88 1b00 s VAL 80 Ca -0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1b00 s VAL 80 Cb -0.16 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1b00 s VAL 80 CO 0.02 0.42 1.02 -0.32 0.00 0.00 0.00 175.10 176.24 1b00 s MET 81 N 1.39 4.48 -0.16 2.72 1.75 -0.52 -0.65 119.30 128.31 1b00 s MET 81 Ca 0.05 1.45 -0.22 0.00 -1.25 0.00 0.00 55.69 55.72 1b00 s MET 81 Cb -0.14 -3.49 -0.03 0.00 2.84 0.00 0.00 34.83 34.00 1b00 s MET 81 CO -0.02 -0.20 0.66 -0.51 -0.65 0.00 0.00 175.02 174.30 1b00 s LEU 82 N 1.52 4.20 0.09 4.11 1.43 0.38 -1.52 118.68 128.89 1b00 s LEU 82 Ca 0.51 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1b00 s LEU 82 Cb -0.21 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1b00 s LEU 82 CO 0.23 -0.23 -0.11 -0.89 0.23 0.00 0.00 176.35 175.58 1b00 s THR 83 N 1.59 1.00 0.30 5.49 2.01 0.10 -1.81 115.64 124.32 1b00 s THR 83 Ca 0.32 -1.52 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 1b00 s THR 83 Cb -0.16 -1.24 -0.09 0.00 0.01 0.00 0.00 72.50 71.01 1b00 s THR 83 CO 0.12 -0.45 1.00 0.00 -0.69 0.00 0.00 174.62 174.61 1b00 s ALA 84 N -2.03 3.28 0.48 7.40 0.00 -1.26 0.12 121.76 129.76 1b00 s ALA 84 Ca 0.03 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 1b00 s ALA 84 Cb -0.05 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1b00 s ALA 84 CO 0.01 0.04 1.38 0.50 0.00 0.00 0.00 175.76 177.68 1b00 s ARG 85 N -1.68 3.53 2.01 0.00 3.52 -0.76 -2.77 118.95 122.81 1b00 s ARG 85 Ca 0.47 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1b00 s ARG 85 Cb -0.25 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 1b00 s ARG 85 CO 0.32 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 1b00 n GLY 86 N 0.63 0.76 0.36 8.12 0.00 -1.26 -4.59 105.19 109.21 1b00 n GLY 86 Ca 0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1b00 n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b00 h GLU 87 N 0.00 -0.10 -0.74 1.61 4.22 -2.00 -0.52 114.58 117.05 1b00 h GLU 87 Ca 0.00 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.57 1b00 h GLU 87 Cb 0.00 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 1b00 h GLU 87 CO 0.00 -0.07 0.31 1.49 -2.18 0.00 0.00 179.01 178.56 1b00 h GLU 88 N -0.11 0.47 0.74 1.92 4.81 -1.81 0.65 114.58 121.25 1b00 h GLU 88 Ca 0.11 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1b00 h GLU 88 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1b00 h GLU 88 CO -0.69 0.31 -0.49 1.49 -0.73 0.00 0.00 179.01 178.90 1b00 h GLU 89 N 0.48 -1.12 -0.97 1.92 4.81 -1.00 0.71 114.58 119.41 1b00 h GLU 89 Ca 0.39 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.76 1b00 h GLU 89 Cb 0.55 0.25 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1b00 h GLU 89 CO -0.37 -0.75 0.63 -0.44 -0.73 0.00 0.00 179.01 177.36 1b00 h ASP 90 N -1.16 1.00 0.33 1.04 3.45 -0.80 -1.19 116.42 119.09 1b00 h ASP 90 Ca -0.10 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.35 1b00 h ASP 90 Cb 0.94 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 1b00 h ASP 90 CO 0.08 0.64 -0.16 -0.09 -1.57 0.00 0.00 179.24 178.14 1b00 h ARG 91 N 1.14 -0.42 -0.03 3.56 2.43 -0.52 -3.02 114.38 117.51 1b00 h ARG 91 Ca 0.42 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1b00 h ARG 91 Cb 0.17 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1b00 h ARG 91 CO -0.16 -0.12 -0.11 0.28 -1.51 0.00 0.00 179.97 178.35 1b00 h VAL 92 N -0.73 1.10 -0.28 0.20 2.07 0.69 -0.73 116.25 118.57 1b00 h VAL 92 Ca -0.04 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1b00 h VAL 92 Cb 0.50 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1b00 h VAL 92 CO 0.07 0.13 0.05 -0.09 0.02 0.00 0.00 177.57 177.75 1b00 h ARG 93 N 0.04 0.40 -0.00 1.57 2.43 -1.21 -2.01 114.38 115.60 1b00 h ARG 93 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1b00 h ARG 93 Cb 0.22 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1b00 h ARG 93 CO 0.01 0.39 -0.08 0.41 -1.51 0.00 0.00 179.97 179.20 1b00 n GLY 94 N -1.12 -1.28 3.91 2.80 0.00 -0.29 -4.87 105.19 104.33 1b00 n GLY 94 Ca 0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1b00 n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b00 s LEU 95 N -2.75 3.15 -1.17 0.99 1.43 -0.76 -4.99 118.68 114.59 1b00 s LEU 95 Ca 0.21 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 1b00 s LEU 95 Cb 0.19 -3.64 0.23 0.00 0.03 0.00 0.00 46.19 43.00 1b00 s LEU 95 CO 0.52 -1.13 1.31 1.21 0.23 0.00 0.00 176.35 178.48 1b00 n GLU 96 N -2.69 3.52 -0.03 1.70 0.00 -1.26 -4.76 120.64 117.12 1b00 n GLU 96 Ca 0.05 -4.16 0.02 0.00 0.00 0.00 0.00 57.16 53.07 1b00 n GLU 96 Cb 0.57 -2.78 -0.14 0.00 0.00 0.00 0.00 31.44 29.09 1b00 n GLU 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1b00 n THR 97 N 3.48 0.74 -0.90 6.31 -2.24 -1.26 -4.98 114.28 115.43 1b00 n THR 97 Ca 0.30 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1b00 n THR 97 Cb 0.40 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.45 0.83 3.77 3.38 0.00 -1.26 -4.56 105.19 108.80 1b00 n GLY 98 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.27 3.43 -0.14 4.61 0.00 -1.26 -4.92 121.76 120.21 1b00 s ALA 99 Ca 0.00 1.37 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1b00 s ALA 99 Cb 0.00 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.72 1b00 s ALA 99 CO 0.00 -0.88 1.48 -0.44 0.00 0.00 0.00 175.76 175.91 1b00 h ASP 100 N 2.95 0.00 -2.49 0.00 3.32 -1.12 -3.48 116.42 115.60 1b00 h ASP 100 Ca -0.50 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.69 1b00 h ASP 100 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1b00 h ASP 100 CO 0.64 0.48 0.54 -0.67 -1.72 0.00 0.00 179.24 178.50 1b00 n ASP 101 N -3.24 -1.70 -4.03 6.45 2.03 -1.19 -5.02 116.55 109.84 1b00 n ASP 101 Ca 0.02 -1.93 -0.10 0.00 0.52 0.00 0.00 54.79 53.31 1b00 n ASP 101 Cb 0.71 2.78 -0.11 0.00 -0.72 0.00 0.00 41.12 43.78 1b00 n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1b00 s TYR 102 N -2.32 0.44 -0.02 -0.67 2.02 -1.26 -1.44 117.35 114.10 1b00 s TYR 102 Ca 0.21 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1b00 s TYR 102 Cb -0.03 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1b00 s TYR 102 CO 0.06 -0.20 -0.01 0.42 -1.57 0.00 0.00 175.55 174.25 1b00 s ILE 103 N -2.08 0.15 0.08 2.71 1.01 -0.58 -4.92 121.20 117.58 1b00 s ILE 103 Ca -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1b00 s ILE 103 Cb -0.05 -0.20 -0.05 0.00 0.01 0.00 0.00 42.46 42.16 1b00 s ILE 103 CO -0.03 0.10 0.29 0.42 0.00 0.00 0.00 174.94 175.72 1b00 s THR 104 N 0.61 5.28 0.09 2.92 -4.23 -1.25 0.00 115.64 119.06 1b00 s THR 104 Ca -0.06 -0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1b00 s THR 104 Cb -0.09 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1b00 s THR 104 CO -0.01 0.16 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.66 1b00 s LYS 105 N -2.36 2.43 0.18 3.99 1.02 0.33 -3.50 119.74 121.83 1b00 s LYS 105 Ca 0.35 -0.89 -0.32 0.00 0.02 0.00 0.00 55.97 55.14 1b00 s LYS 105 Cb -0.13 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.60 1b00 s LYS 105 CO 0.23 0.53 1.66 -1.25 -0.92 0.00 0.00 175.35 175.61 1b00 s PRO 106 N -2.27 4.17 0.57 -1.68 0.04 -1.26 -1.82 135.00 132.75 1b00 s PRO 106 Ca 0.24 2.49 -0.16 0.00 0.04 0.00 0.00 61.00 63.62 1b00 s PRO 106 Cb -0.12 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1b00 s PRO 106 CO 0.17 -0.70 1.03 -0.59 0.04 0.00 0.00 177.00 176.95 1b00 s PHE 107 N 1.29 3.18 -0.27 0.56 -0.71 -1.23 -5.03 117.98 115.77 1b00 s PHE 107 Ca 0.73 1.48 -0.10 0.00 -1.04 0.00 0.00 56.93 58.00 1b00 s PHE 107 Cb -0.47 -2.92 -0.05 0.00 -1.21 0.00 0.00 43.02 38.38 1b00 s PHE 107 CO 0.32 -0.85 0.16 0.45 -1.34 0.00 0.00 175.22 173.97 1b00 s SER 108 N -2.98 5.88 0.28 1.98 0.15 -1.26 -4.98 113.70 112.76 1b00 s SER 108 Ca 0.61 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 57.25 1b00 s SER 108 Cb -0.14 -2.08 0.57 0.00 -1.71 0.00 0.00 66.02 62.66 1b00 s SER 108 CO 0.36 -0.03 1.81 -0.65 1.20 0.00 0.00 173.24 175.93 1b00 h PRO 109 N 8.21 0.83 -0.51 5.44 0.11 -1.99 -0.41 132.00 143.68 1b00 h PRO 109 Ca -0.36 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1b00 h PRO 109 Cb 1.18 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1b00 h PRO 109 CO 0.57 0.55 0.15 -0.22 -0.21 0.00 0.00 178.00 178.84 1b00 h LYS 110 N 0.86 0.79 -0.35 1.05 3.64 -2.00 -2.59 116.57 117.97 1b00 h LYS 110 Ca 0.49 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1b00 h LYS 110 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1b00 h LYS 110 CO -0.30 0.75 -0.24 1.49 -2.27 0.00 0.00 179.45 178.87 1b00 h GLU 111 N 0.69 0.69 -0.14 1.90 4.81 -1.80 -1.23 114.58 119.50 1b00 h GLU 111 Ca 0.16 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1b00 h GLU 111 Cb 0.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1b00 h GLU 111 CO -0.00 0.86 0.09 1.25 -0.73 0.00 0.00 179.01 180.48 1b00 h LEU 112 N 0.60 0.16 -0.25 1.64 5.85 -0.96 -1.24 115.31 121.10 1b00 h LEU 112 Ca 0.08 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1b00 h LEU 112 Cb 0.72 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1b00 h LEU 112 CO 0.06 0.12 -0.46 0.58 -0.34 0.00 0.00 178.44 178.39 1b00 h VAL 113 N 0.19 1.30 -0.02 1.05 2.07 -1.44 -2.45 116.25 116.95 1b00 h VAL 113 Ca 0.05 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1b00 h VAL 113 Cb -0.02 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1b00 h VAL 113 CO -0.01 0.53 -0.05 0.00 0.02 0.00 0.00 177.57 178.06 1b00 h ALA 114 N 0.65 -0.03 -0.34 1.67 0.00 -1.13 -0.09 119.26 119.99 1b00 h ALA 114 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1b00 h ALA 114 Cb 1.07 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1b00 h ALA 114 CO 0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 179.25 178.62 1b00 h ARG 115 N -0.07 0.65 -0.27 0.00 3.08 -1.28 0.17 114.38 116.65 1b00 h ARG 115 Ca 0.03 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 1b00 h ARG 115 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1b00 h ARG 115 CO -0.06 0.81 -0.11 0.82 -1.07 0.00 0.00 179.97 180.35 1b00 h ILE 116 N 0.58 1.29 0.05 2.04 2.04 -1.34 0.13 117.51 122.30 1b00 h ILE 116 Ca 0.09 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1b00 h ILE 116 Cb 0.66 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1b00 h ILE 116 CO 0.05 0.37 -0.02 0.11 0.00 0.00 0.00 178.15 178.66 1b00 h LYS 117 N 0.30 -0.06 -0.60 2.37 1.57 -0.72 -1.76 116.57 117.67 1b00 h LYS 117 Ca 0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1b00 h LYS 117 Cb 0.61 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1b00 h LYS 117 CO 0.04 -0.02 0.09 0.00 -0.57 0.00 0.00 179.45 178.99 1b00 h ALA 118 N 0.87 1.04 -0.36 3.86 0.00 -0.63 -2.05 119.26 122.00 1b00 h ALA 118 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1b00 h ALA 118 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1b00 h ALA 118 CO 0.01 0.61 -0.29 0.28 0.00 0.00 0.00 179.25 179.86 1b00 h VAL 119 N 0.91 1.28 -0.22 0.00 2.07 -0.64 -2.50 116.25 117.15 1b00 h VAL 119 Ca 0.19 -1.43 -0.19 0.00 0.82 0.00 0.00 66.70 66.09 1b00 h VAL 119 Cb 0.40 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1b00 h VAL 119 CO 0.01 0.47 -0.62 0.24 0.02 0.00 0.00 177.57 177.69 1b00 h MET 120 N 0.65 0.75 -0.98 1.57 2.86 -1.23 -1.18 114.93 117.37 1b00 h MET 120 Ca 0.08 -0.52 0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1b00 h MET 120 Cb 0.82 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.48 1b00 h MET 120 CO 0.07 1.14 0.63 0.00 1.06 0.00 0.00 176.91 179.81 1b00 h ARG 121 N 0.56 1.04 0.00 1.72 3.08 -1.22 -3.30 114.38 116.25 1b00 h ARG 121 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1b00 h ARG 121 Cb 1.21 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1b00 h ARG 121 CO 0.13 0.69 0.00 -2.13 -1.07 0.00 0.00 179.97 177.59 1b00 n ARG 122 N -4.53 0.00 0.00 0.04 0.63 -0.95 -5.11 116.66 106.73 1b00 n ARG 122 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1b00 n ARG 122 Cb 0.25 -0.45 0.01 0.00 0.45 0.00 0.00 32.46 32.72 1b00 n ARG 122 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23