#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1til s ARG 2 N 0.00 0.17 -0.03 2.12 6.06 -1.26 -2.63 118.95 123.38 1til s ARG 2 Ca 0.00 0.75 -0.01 0.00 -2.50 0.00 0.00 55.73 53.97 1til s ARG 2 Cb 0.00 -0.01 0.03 0.00 0.06 0.00 0.00 34.95 35.03 1til s ARG 2 CO 0.00 -0.26 0.04 1.21 -2.50 0.00 0.00 175.30 173.78 1til s ASN 3 N 2.26 0.58 0.06 -2.12 3.84 -0.60 -5.02 114.94 113.94 1til s ASN 3 Ca -0.01 0.04 0.10 0.00 0.21 0.00 0.00 52.86 53.20 1til s ASN 3 Cb -0.12 -0.13 -0.03 0.00 -0.55 0.00 0.00 41.25 40.43 1til s ASN 3 CO -0.09 -0.18 -0.26 -1.83 -2.79 0.00 0.00 177.10 171.95 1til s GLU 4 N 1.53 1.69 0.01 0.43 -1.05 -1.26 -1.51 118.70 118.53 1til s GLU 4 Ca -0.03 -1.15 0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1til s GLU 4 Cb -0.13 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 1til s GLU 4 CO -0.03 0.49 -0.04 1.41 0.95 0.00 0.00 175.26 178.04 1til s MET 5 N -1.41 0.31 -0.04 -4.83 -2.45 -0.23 -5.02 119.30 105.63 1til s MET 5 Ca 0.12 -0.30 -0.00 0.00 -1.25 0.00 0.00 55.69 54.26 1til s MET 5 Cb -0.10 -0.20 0.03 0.00 1.25 0.00 0.00 34.83 35.81 1til s MET 5 CO 0.03 0.05 0.00 -1.01 1.05 0.00 0.00 175.02 175.14 1til s HIS 6 N -0.51 0.39 -0.06 4.11 3.76 -1.26 -1.89 115.29 119.82 1til s HIS 6 Ca -0.03 -0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1til s HIS 6 Cb -0.04 -0.51 0.01 0.00 1.11 0.00 0.00 32.58 33.14 1til s HIS 6 CO -0.00 -0.18 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.38 1til s LEU 7 N 1.34 1.82 -0.06 0.89 2.96 -0.12 -5.02 118.68 120.48 1til s LEU 7 Ca -0.05 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1til s LEU 7 Cb -0.13 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.59 1til s LEU 7 CO -0.02 0.10 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.85 1til s GLN 8 N 0.39 1.81 0.27 1.98 1.11 -1.26 -1.35 119.66 122.61 1til s GLN 8 Ca -0.12 -0.52 -0.07 0.00 0.01 0.00 0.00 55.36 54.66 1til s GLN 8 Cb -0.15 -1.51 -0.01 0.00 -1.01 0.00 0.00 33.01 30.34 1til s GLN 8 CO 0.04 0.12 0.42 -0.59 0.01 0.00 0.00 175.29 175.29 1til s PHE 9 N 0.39 0.72 0.44 0.91 -0.12 -0.98 -5.01 117.98 114.34 1til s PHE 9 Ca -0.11 -1.02 -0.22 0.00 -0.05 0.00 0.00 56.93 55.53 1til s PHE 9 Cb -0.14 -0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.14 1til s PHE 9 CO 0.04 -0.98 1.04 -1.12 -0.05 0.00 0.00 175.22 174.15 1til s SER 10 N -3.11 6.55 -1.22 1.98 0.01 -1.26 -1.49 113.70 115.15 1til s SER 10 Ca 0.28 1.98 -0.19 0.00 1.31 0.00 0.00 55.95 59.33 1til s SER 10 Cb 0.01 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1til s SER 10 CO 0.13 -0.64 1.92 0.00 0.41 0.00 0.00 173.24 175.07 1til n ALA 11 N -0.52 3.50 -2.55 1.44 0.00 -0.13 -4.74 120.51 117.50 1til n ALA 11 Ca 0.07 -3.56 -0.23 0.00 0.00 0.00 0.00 53.44 49.72 1til n ALA 11 Cb 0.51 -3.57 -0.15 0.00 0.00 0.00 0.00 19.45 16.24 1til n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1til s ARG 12 N 4.69 1.20 0.46 0.00 0.52 -1.26 -3.75 118.95 120.81 1til s ARG 12 Ca 0.57 -0.57 0.15 0.00 -0.52 0.00 0.00 55.73 55.36 1til s ARG 12 Cb 0.07 -1.17 1.11 0.00 0.52 0.00 0.00 34.95 35.48 1til s ARG 12 CO 0.06 0.32 2.01 0.66 0.02 0.00 0.00 175.30 178.37 1til h SER 13 N 5.67 0.27 -0.60 0.23 4.64 -1.99 -0.80 113.55 120.97 1til h SER 13 Ca -0.35 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1til h SER 13 Cb 1.16 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1til h SER 13 CO 0.48 0.17 0.40 -0.33 -0.87 0.00 0.00 176.83 176.68 1til h GLU 14 N 0.30 0.63 0.00 4.77 3.07 -1.96 -1.56 114.58 119.83 1til h GLU 14 Ca 0.23 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1til h GLU 14 Cb 0.51 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1til h GLU 14 CO -0.05 0.42 0.00 0.09 -1.40 0.00 0.00 179.01 178.06 1til n ASN 15 N -4.47 0.00 -0.12 1.42 3.02 -0.30 -2.64 115.26 112.16 1til n ASN 15 Ca 0.08 0.39 -0.12 0.00 -0.03 0.00 0.00 54.58 54.90 1til n ASN 15 Cb 0.18 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 1til n ASN 15 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1til h GLU 16 N 0.00 0.77 -0.49 3.52 5.08 -1.37 -0.39 114.58 121.70 1til h GLU 16 Ca 0.00 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1til h GLU 16 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1til h GLU 16 CO 0.00 0.94 -0.13 1.03 -1.00 0.00 0.00 179.01 179.85 1til h SER 17 N 0.56 0.96 -0.30 1.42 0.87 -1.66 -2.36 113.55 113.05 1til h SER 17 Ca 0.08 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.34 1til h SER 17 Cb 0.71 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.35 1til h SER 17 CO 0.05 1.10 -0.08 0.15 -0.53 0.00 0.00 176.83 177.53 1til h PHE 18 N 0.80 -0.17 -0.73 2.24 3.57 -1.40 -0.79 116.94 120.46 1til h PHE 18 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1til h PHE 18 Cb 0.69 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1til h PHE 18 CO 0.05 -0.13 0.25 0.00 -2.23 0.00 0.00 178.31 176.24 1til h ALA 19 N 1.29 0.95 -0.42 2.41 0.00 -1.02 -0.88 119.26 121.59 1til h ALA 19 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1til h ALA 19 Cb 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1til h ALA 19 CO -0.31 0.62 0.21 0.00 0.00 0.00 0.00 179.25 179.77 1til h ARG 20 N 1.07 0.42 -0.00 0.00 3.08 -0.83 -0.04 114.38 118.08 1til h ARG 20 Ca 0.24 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1til h ARG 20 Cb 0.28 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1til h ARG 20 CO -0.01 0.28 0.00 0.28 -1.07 0.00 0.00 179.97 179.45 1til h VAL 21 N 0.43 1.16 0.31 2.04 2.07 -0.84 -1.76 116.25 119.66 1til h VAL 21 Ca 0.18 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1til h VAL 21 Cb 0.08 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1til h VAL 21 CO -0.12 0.12 -0.28 0.74 0.02 0.00 0.00 177.57 178.05 1til h THR 22 N -0.19 0.41 -0.37 2.57 2.02 -0.99 -1.45 112.91 114.91 1til h THR 22 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1til h THR 22 Cb 0.20 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1til h THR 22 CO -0.00 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.67 1til h VAL 23 N -0.61 1.02 -0.82 3.16 2.07 -1.04 -1.83 116.25 118.20 1til h VAL 23 Ca -0.02 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1til h VAL 23 Cb 0.55 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1til h VAL 23 CO -0.04 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.10 1til h ALA 24 N 1.17 1.15 -0.27 1.67 0.00 -1.18 -0.59 119.26 121.21 1til h ALA 24 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1til h ALA 24 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1til h ALA 24 CO -0.08 0.14 0.13 0.00 0.00 0.00 0.00 179.25 179.44 1til h ALA 25 N 1.43 0.35 -0.61 0.00 0.00 -0.78 -0.58 119.26 119.08 1til h ALA 25 Ca 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1til h ALA 25 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1til h ALA 25 CO -0.22 -0.09 0.31 0.35 0.00 0.00 0.00 179.25 179.59 1til h PHE 26 N 0.30 0.83 -0.00 0.00 3.57 -0.51 -2.28 116.94 118.85 1til h PHE 26 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1til h PHE 26 Cb 0.11 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1til h PHE 26 CO -0.02 0.60 -0.22 0.28 -2.23 0.00 0.00 178.31 176.72 1til n VAL 27 N -4.37 0.00 0.20 1.41 0.31 -0.31 -3.67 118.33 111.90 1til n VAL 27 Ca 0.06 -0.03 0.05 0.00 -0.01 0.00 0.00 64.34 64.40 1til n VAL 27 Cb 0.12 -0.05 0.48 0.00 -0.91 0.00 0.00 33.84 33.48 1til n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1til h ALA 28 N 3.25 1.67 0.00 3.52 0.00 -0.49 -2.00 119.26 125.22 1til h ALA 28 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1til h ALA 28 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1til h ALA 28 CO 0.00 0.24 0.21 1.04 0.00 0.00 0.00 179.25 180.74 1til n GLN 29 N -4.33 0.07 -0.42 0.00 6.02 -1.24 0.63 117.38 118.11 1til n GLN 29 Ca -0.02 0.51 0.11 0.00 -0.01 0.00 0.00 57.00 57.59 1til n GLN 29 Cb 0.24 -1.94 0.32 0.00 1.02 0.00 0.00 30.24 29.88 1til n GLN 29 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1til n LEU 30 N -1.88 4.09 -3.51 1.08 4.77 -0.75 -4.98 117.00 115.81 1til n LEU 30 Ca -0.01 -2.12 -0.19 0.00 -0.03 0.00 0.00 56.01 53.66 1til n LEU 30 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1til n LEU 30 CO 0.05 0.92 -0.20 0.47 -1.33 0.00 0.00 177.39 177.31 1til n ASP 31 N 1.41 -3.62 -4.99 -1.43 8.00 0.20 -4.94 116.55 111.19 1til n ASP 31 Ca 0.24 -0.76 -0.19 0.00 0.71 0.00 0.00 54.79 54.79 1til n ASP 31 Cb 0.68 -1.21 0.01 0.00 -0.02 0.00 0.00 41.12 40.58 1til n ASP 31 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1til s PRO 32 N -4.34 2.88 1.02 -0.24 0.04 -1.26 -4.90 135.00 128.21 1til s PRO 32 Ca 0.01 -0.96 -0.13 0.00 0.04 0.00 0.00 61.00 59.96 1til s PRO 32 Cb -0.01 -2.69 0.12 0.00 0.04 0.00 0.00 34.50 31.97 1til s PRO 32 CO 0.69 -0.27 0.60 2.41 0.04 0.00 0.00 177.00 180.46 1til n THR 33 N -1.94 0.00 -0.04 1.26 -1.04 -1.26 -4.74 114.28 106.52 1til n THR 33 Ca 0.05 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1til n THR 33 Cb 0.59 -0.77 0.05 0.00 -1.82 0.00 0.00 70.33 68.38 1til n THR 33 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1til h MET 34 N -1.96 0.68 -0.34 -2.82 2.86 -1.98 -1.05 114.93 110.32 1til h MET 34 Ca -0.49 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 56.75 1til h MET 34 Cb 1.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1til h MET 34 CO 0.39 0.98 0.11 -0.44 1.06 0.00 0.00 176.91 179.02 1til h ASP 35 N 0.55 0.49 -0.79 1.22 3.32 -1.98 0.41 116.42 119.63 1til h ASP 35 Ca 0.04 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1til h ASP 35 Cb 0.98 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1til h ASP 35 CO 0.09 0.56 0.51 -0.33 -1.72 0.00 0.00 179.24 178.35 1til h GLU 36 N 0.39 0.96 -0.28 3.56 5.08 -1.87 0.48 114.58 122.90 1til h GLU 36 Ca 0.11 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1til h GLU 36 Cb 0.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1til h GLU 36 CO -0.00 0.63 -0.12 1.25 -1.00 0.00 0.00 179.01 179.77 1til h LEU 37 N 0.99 0.59 -0.59 1.33 5.85 -0.80 -0.59 115.31 122.09 1til h LEU 37 Ca 0.32 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1til h LEU 37 Cb 0.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1til h LEU 37 CO -0.11 0.86 0.33 0.74 -0.34 0.00 0.00 178.44 179.91 1til h THR 38 N 0.32 1.19 -0.38 1.05 2.02 0.37 0.34 112.91 117.82 1til h THR 38 Ca 0.07 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1til h THR 38 Cb 0.63 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1til h THR 38 CO 0.04 0.21 0.25 -0.33 0.37 0.00 0.00 175.52 176.06 1til h GLU 39 N 0.80 0.50 -0.24 6.66 5.08 0.03 0.19 114.58 127.60 1til h GLU 39 Ca 0.21 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1til h GLU 39 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1til h GLU 39 CO -0.03 0.33 -0.20 0.82 -1.00 0.00 0.00 179.01 178.93 1til h ILE 40 N 0.52 1.24 -0.24 3.13 2.04 -0.51 -1.45 117.51 122.24 1til h ILE 40 Ca 0.14 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1til h ILE 40 Cb -0.06 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1til h ILE 40 CO -0.03 0.36 -0.14 0.11 0.00 0.00 0.00 178.15 178.45 1til h LYS 41 N 0.40 0.52 0.70 2.37 1.57 0.31 -2.69 116.57 119.74 1til h LYS 41 Ca 0.07 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1til h LYS 41 Cb 0.57 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1til h LYS 41 CO 0.04 0.80 -0.49 1.15 -0.57 0.00 0.00 179.45 180.37 1til h THR 42 N 0.23 0.02 -0.78 -0.16 2.02 -0.31 -1.82 112.91 112.11 1til h THR 42 Ca 0.05 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.41 1til h THR 42 Cb 0.65 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1til h THR 42 CO 0.04 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.68 1til h VAL 43 N -1.14 0.43 -0.81 3.16 2.07 -1.34 0.59 116.25 119.22 1til h VAL 43 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1til h VAL 43 Cb 0.93 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1til h VAL 43 CO 0.05 0.04 0.52 0.58 0.02 0.00 0.00 177.57 178.78 1til h VAL 44 N 0.23 1.21 0.06 2.57 2.07 -1.25 -1.52 116.25 119.62 1til h VAL 44 Ca 0.46 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1til h VAL 44 Cb 0.83 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1til h VAL 44 CO -0.58 0.21 -0.03 -1.28 0.02 0.00 0.00 177.57 175.92 1til h SER 45 N 1.10 -0.07 -0.32 0.57 0.87 0.94 -1.16 113.55 115.49 1til h SER 45 Ca 0.29 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 1til h SER 45 Cb -0.10 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 1til h SER 45 CO -0.06 0.13 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.01 1til h GLU 46 N -0.26 0.05 -0.12 2.24 4.39 -0.47 0.21 114.58 120.62 1til h GLU 46 Ca -0.01 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1til h GLU 46 Cb 0.23 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1til h GLU 46 CO 0.01 0.04 -0.05 0.00 -1.16 0.00 0.00 179.01 177.85 1til h ALA 47 N 1.29 0.17 -0.52 3.43 0.00 -1.27 -1.56 119.26 120.80 1til h ALA 47 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1til h ALA 47 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1til h ALA 47 CO -0.28 -0.06 0.28 0.28 0.00 0.00 0.00 179.25 179.46 1til h VAL 48 N -0.09 1.18 0.03 0.00 2.07 -1.09 -1.56 116.25 116.78 1til h VAL 48 Ca 0.03 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1til h VAL 48 Cb 0.49 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1til h VAL 48 CO 0.02 0.19 -0.10 0.74 0.02 0.00 0.00 177.57 178.43 1til h THR 49 N 0.69 0.75 -0.46 2.57 2.02 -0.94 -1.47 112.91 116.07 1til h THR 49 Ca 0.18 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.45 1til h THR 49 Cb 0.05 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.12 1til h THR 49 CO -0.03 0.00 -0.16 0.78 0.37 0.00 0.00 175.52 176.48 1til h ASN 50 N -0.19 -0.57 -0.89 4.18 2.35 -1.00 0.17 115.58 119.64 1til h ASN 50 Ca 0.03 0.15 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1til h ASN 50 Cb 0.22 0.34 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 1til h ASN 50 CO -0.08 -0.20 0.58 0.00 -1.65 0.00 0.00 177.43 176.08 1til h ALA 51 N 1.33 1.54 0.14 -0.83 0.00 -0.83 0.38 119.26 121.01 1til h ALA 51 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1til h ALA 51 Cb 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1til h ALA 51 CO -0.50 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 179.82 1til h ILE 52 N 0.99 0.81 0.00 0.00 2.04 -0.01 -0.19 117.51 121.15 1til h ILE 52 Ca 0.38 -1.21 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 1til h ILE 52 Cb 0.23 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1til h ILE 52 CO -0.15 0.22 -0.65 0.16 0.00 0.00 0.00 178.15 177.74 1til h ILE 53 N -0.90 1.14 0.00 -0.67 3.07 -0.67 -0.34 117.51 119.14 1til h ILE 53 Ca -0.02 -2.52 -0.30 0.00 1.55 0.00 0.00 64.86 63.57 1til h ILE 53 Cb 0.51 2.50 -0.04 0.00 -0.27 0.00 0.00 36.82 39.52 1til h ILE 53 CO 0.03 0.63 -1.95 1.41 -1.05 0.00 0.00 178.15 177.22 1til n HIS 54 N -3.31 0.00 0.01 0.16 8.25 0.13 -3.51 115.22 116.95 1til n HIS 54 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1til n HIS 54 Cb 0.77 -0.73 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 1til n HIS 54 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1til h GLY 55 N -0.83 0.01 -1.42 -1.41 0.00 -0.67 -3.20 103.07 95.55 1til h GLY 55 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1til h GLY 55 CO -0.27 -0.08 0.00 -1.72 0.00 0.00 0.00 176.54 174.47 1til n TYR 56 N -5.20 0.64 -4.25 5.60 4.02 -0.14 -1.39 117.16 116.45 1til n TYR 56 Ca -0.04 -0.63 -0.31 0.00 -0.01 0.00 0.00 57.90 56.91 1til n TYR 56 Cb 0.12 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 1til n TYR 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1til n ASN 57 N 0.18 0.43 -1.89 7.72 3.02 -1.14 -0.24 115.26 123.34 1til n ASN 57 Ca 0.15 -1.24 -0.18 0.00 -0.03 0.00 0.00 54.58 53.28 1til n ASN 57 Cb 0.59 -1.82 -0.05 0.00 -0.61 0.00 0.00 39.78 37.89 1til n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1til n ASN 58 N -2.86 -5.04 -4.56 6.41 3.02 -0.15 -4.95 115.26 107.14 1til n ASN 58 Ca -0.31 0.29 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 1til n ASN 58 Cb 0.69 -4.39 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 1til n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1til s ASP 59 N -2.35 6.46 0.00 6.41 2.15 0.67 -4.92 116.67 125.09 1til s ASP 59 Ca 0.00 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1til s ASP 59 Cb 0.00 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1til s ASP 59 CO 0.00 -0.97 0.66 -0.81 -0.17 0.00 0.00 175.17 173.87 1til n PRO 60 N 6.93 0.00 0.00 4.34 -0.04 -1.25 -1.87 135.00 143.11 1til n PRO 60 Ca 0.04 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1til n PRO 60 Cb 0.48 -1.51 0.35 0.00 -0.04 0.00 0.00 33.50 32.79 1til n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1til n ASN 61 N -1.16 1.50 -4.80 3.54 3.02 -1.26 -3.64 115.26 112.45 1til n ASN 61 Ca 0.00 -1.28 -0.33 0.00 -0.03 0.00 0.00 54.58 52.94 1til n ASN 61 Cb 0.01 0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1til n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1til s GLY 62 N -2.28 2.26 -0.40 7.41 0.00 -0.78 -4.86 107.32 108.67 1til s GLY 62 Ca 0.29 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1til s GLY 62 CO 0.44 0.77 0.18 -0.42 0.00 0.00 0.00 173.10 174.07 1til s ILE 63 N -2.29 3.39 0.30 0.90 -1.09 -1.26 -0.96 121.20 120.19 1til s ILE 63 Ca 0.64 -1.86 -0.29 0.00 -2.23 0.00 0.00 60.65 56.91 1til s ILE 63 Cb -0.15 -3.23 -0.10 0.00 -1.58 0.00 0.00 42.46 37.40 1til s ILE 63 CO 0.30 -0.58 1.15 -0.69 -1.23 0.00 0.00 174.94 173.88 1til s VAL 64 N 1.20 3.31 -0.15 2.92 1.01 -0.56 -4.55 120.40 123.58 1til s VAL 64 Ca 0.05 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 1til s VAL 64 Cb -0.22 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1til s VAL 64 CO -0.03 0.29 -0.06 -0.44 0.00 0.00 0.00 175.10 174.86 1til s SER 65 N -0.83 2.59 0.00 3.32 0.01 0.23 -2.31 113.70 116.71 1til s SER 65 Ca 0.47 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.25 1til s SER 65 Cb -0.33 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 1til s SER 65 CO 0.43 -0.16 -0.14 -0.63 0.41 0.00 0.00 173.24 173.15 1til s ILE 66 N 1.66 3.08 -0.19 1.44 1.01 -0.46 0.11 121.20 127.85 1til s ILE 66 Ca 0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1til s ILE 66 Cb -0.14 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.15 1til s ILE 66 CO -0.08 0.44 0.35 -0.94 0.00 0.00 0.00 174.94 174.71 1til s SER 67 N -1.20 0.15 -0.11 3.58 1.04 0.30 -0.95 113.70 116.51 1til s SER 67 Ca 0.14 0.59 -0.02 0.00 0.48 0.00 0.00 55.95 57.15 1til s SER 67 Cb -0.11 1.06 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1til s SER 67 CO 0.04 -0.26 -0.03 -0.69 0.98 0.00 0.00 173.24 173.28 1til s VAL 68 N 2.53 4.00 -0.12 5.02 1.01 -0.79 -1.82 120.40 130.22 1til s VAL 68 Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1til s VAL 68 Cb -0.13 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1til s VAL 68 CO -0.12 0.55 -0.09 -0.63 0.00 0.00 0.00 175.10 174.80 1til s ILE 69 N -0.31 1.17 -0.08 2.22 1.01 -0.72 -1.06 121.20 123.43 1til s ILE 69 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1til s ILE 69 Cb -0.12 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1til s ILE 69 CO 0.02 0.39 -0.13 0.27 0.00 0.00 0.00 174.94 175.49 1til s ILE 70 N 1.62 3.13 -0.29 2.92 -4.36 -0.57 -1.29 121.20 122.35 1til s ILE 70 Ca 0.04 -0.67 -0.14 0.00 -0.26 0.00 0.00 60.65 59.62 1til s ILE 70 Cb -0.13 -2.26 0.13 0.00 1.25 0.00 0.00 42.46 41.45 1til s ILE 70 CO -0.08 0.57 0.80 -0.70 0.24 0.00 0.00 174.94 175.76 1til s GLU 71 N -0.32 0.51 -1.32 0.37 2.12 -0.71 -1.56 118.70 117.78 1til s GLU 71 Ca 0.03 1.07 -0.02 0.00 0.36 0.00 0.00 54.97 56.41 1til s GLU 71 Cb -0.13 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.70 1til s GLU 71 CO 0.02 -0.14 0.79 -0.25 -0.54 0.00 0.00 175.26 175.15 1til n ASP 72 N 4.69 -1.92 0.00 -1.70 8.00 -1.08 -2.18 116.55 122.36 1til n ASP 72 Ca -0.15 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1til n ASP 72 Cb 0.54 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1til n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1til n GLY 73 N -1.55 1.92 3.65 0.44 0.00 -1.26 -4.98 105.19 103.41 1til n GLY 73 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1til n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1til s VAL 74 N -3.22 3.83 -0.12 1.61 -7.23 -0.93 0.46 120.40 114.80 1til s VAL 74 Ca 0.00 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1til s VAL 74 Cb 0.00 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.12 1til s VAL 74 CO 0.00 0.14 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.10 1til s VAL 75 N -1.27 3.04 -0.38 1.32 1.01 0.21 -1.73 120.40 122.62 1til s VAL 75 Ca 0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1til s VAL 75 Cb -0.11 -2.27 0.10 0.00 0.00 0.00 0.00 36.38 34.10 1til s VAL 75 CO 0.16 0.53 0.14 -1.00 0.00 0.00 0.00 175.10 174.93 1til s HIS 76 N 0.26 3.60 -0.13 5.22 3.76 -0.41 -1.10 115.29 126.48 1til s HIS 76 Ca -0.09 -2.52 -0.07 0.00 -0.15 0.00 0.00 55.06 52.23 1til s HIS 76 Cb -0.16 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 1til s HIS 76 CO 0.05 -0.95 0.11 -1.17 -0.85 0.00 0.00 174.74 171.93 1til s LEU 77 N 1.09 4.18 -0.05 0.89 2.96 0.14 -1.75 118.68 126.14 1til s LEU 77 Ca 0.07 0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1til s LEU 77 Cb -0.21 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.48 1til s LEU 77 CO -0.05 0.35 0.02 -0.89 -1.32 0.00 0.00 176.35 174.46 1til s THR 78 N -0.65 0.13 -0.17 3.68 2.01 -0.76 -0.20 115.64 119.69 1til s THR 78 Ca 0.12 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1til s THR 78 Cb -0.12 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1til s THR 78 CO 0.02 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 1til s VAL 79 N 1.77 2.53 0.07 3.82 1.01 -0.88 -0.54 120.40 128.19 1til s VAL 79 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1til s VAL 79 Cb -0.13 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1til s VAL 79 CO -0.03 0.51 -0.11 -0.60 0.00 0.00 0.00 175.10 174.87 1til s ARG 80 N 1.01 0.73 -0.03 2.72 3.52 0.30 -1.14 118.95 126.07 1til s ARG 80 Ca -0.02 -0.93 -0.08 0.00 -0.13 0.00 0.00 55.73 54.58 1til s ARG 80 Cb -0.15 -0.59 0.01 0.00 -1.56 0.00 0.00 34.95 32.66 1til s ARG 80 CO -0.04 0.12 0.17 0.16 -0.81 0.00 0.00 175.30 174.90 1til s ASP 81 N -1.82 -0.07 -0.91 -2.12 1.47 -0.34 -0.60 116.67 112.28 1til s ASP 81 Ca -0.03 0.03 -0.02 0.00 1.18 0.00 0.00 52.55 53.71 1til s ASP 81 Cb -0.09 0.28 0.31 0.00 -0.34 0.00 0.00 42.92 43.08 1til s ASP 81 CO 0.01 -0.26 2.02 -0.62 0.68 0.00 0.00 175.17 176.99 1til n GLU 82 N 2.00 3.81 0.00 2.11 -0.58 -1.26 -1.22 120.64 125.50 1til n GLU 82 Ca -0.19 -3.87 0.00 0.00 -0.42 0.00 0.00 57.16 52.68 1til n GLU 82 Cb 0.57 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1til n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1til n GLY 83 N -0.18 2.45 0.37 0.62 0.00 -1.19 -4.72 105.19 102.54 1til n GLY 83 Ca 0.51 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 44.69 1til n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1til h VAL 84 N 0.00 0.92 0.00 1.61 2.07 -1.49 -2.88 116.25 116.47 1til h VAL 84 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1til h VAL 84 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1til h VAL 84 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1til n GLY 85 N -1.43 -0.03 3.12 2.17 0.00 -1.26 0.50 105.19 108.26 1til n GLY 85 Ca 0.15 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1til n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1til s ILE 86 N -2.08 2.39 0.09 -0.61 1.01 -1.26 -4.84 121.20 115.91 1til s ILE 86 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 1til s ILE 86 Cb 0.00 -2.29 -0.14 0.00 0.01 0.00 0.00 42.46 40.04 1til s ILE 86 CO 0.00 0.11 1.63 -0.65 0.00 0.00 0.00 174.94 176.03 1til h PRO 87 N 7.88 -0.64 -3.74 2.79 0.11 -1.94 -3.37 132.00 133.09 1til h PRO 87 Ca -0.27 0.04 -0.64 0.00 0.11 0.00 0.00 66.00 65.25 1til h PRO 87 Cb 1.07 0.15 -0.41 0.00 0.11 0.00 0.00 31.00 31.93 1til h PRO 87 CO 0.53 -0.43 -0.68 0.34 -0.21 0.00 0.00 178.00 177.55 1til s ASP 88 N -4.63 4.35 0.29 -2.05 -1.08 -1.26 -4.97 116.67 107.31 1til s ASP 88 Ca -0.16 -2.62 -0.02 0.00 -0.52 0.00 0.00 52.55 49.23 1til s ASP 88 Cb 0.06 -1.51 0.41 0.00 -1.46 0.00 0.00 42.92 40.42 1til s ASP 88 CO 0.63 -0.29 1.90 0.40 0.52 0.00 0.00 175.17 178.33 1til h ILE 89 N 5.86 1.22 -0.78 4.11 2.04 -1.97 -2.36 117.51 125.64 1til h ILE 89 Ca -0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1til h ILE 89 Cb 0.94 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1til h ILE 89 CO 0.60 0.25 0.40 -0.33 0.00 0.00 0.00 178.15 179.07 1til h GLU 90 N 1.00 1.09 -0.05 2.37 4.39 -1.96 -2.60 114.58 118.83 1til h GLU 90 Ca 0.25 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1til h GLU 90 Cb 0.06 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1til h GLU 90 CO -0.04 0.82 -0.02 1.49 -1.16 0.00 0.00 179.01 180.11 1til h GLU 91 N 1.09 0.09 -0.05 2.33 4.81 -1.91 -3.11 114.58 117.84 1til h GLU 91 Ca 0.27 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1til h GLU 91 Cb 0.06 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1til h GLU 91 CO -0.04 0.46 0.12 0.00 -0.73 0.00 0.00 179.01 178.83 1til h ALA 92 N 0.63 1.35 0.00 2.92 0.00 -1.20 -1.70 119.26 121.26 1til h ALA 92 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1til h ALA 92 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1til h ALA 92 CO 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1til h ARG 93 N 0.00 0.00 -6.63 0.00 3.08 -1.39 -3.45 114.38 105.99 1til h ARG 93 Ca 0.02 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 1til h ARG 93 Cb 0.27 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.38 1til h ARG 93 CO -0.00 0.00 1.00 1.04 -1.07 0.00 0.00 179.97 180.94 1til n GLN 94 N -2.95 2.72 -1.56 0.04 6.02 -0.64 -4.55 117.38 116.46 1til n GLN 94 Ca 0.04 0.98 -0.39 0.00 -0.01 0.00 0.00 57.00 57.62 1til n GLN 94 Cb 0.50 -2.82 0.03 0.00 1.02 0.00 0.00 30.24 28.97 1til n GLN 94 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1til n PRO 95 N 4.05 0.87 -0.28 -1.09 -0.04 -1.26 -1.34 135.00 135.92 1til n PRO 95 Ca 0.16 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1til n PRO 95 Cb 0.34 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1til n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1til n LEU 96 N 0.13 0.25 -4.76 1.53 4.77 0.88 -4.95 117.00 114.86 1til n LEU 96 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 1til n LEU 96 Cb 0.44 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1til n LEU 96 CO 0.52 -0.13 0.77 0.12 -1.33 0.00 0.00 177.39 177.35 1til s PHE 97 N -1.89 3.56 0.12 -1.77 5.36 -0.45 -4.48 117.98 118.43 1til s PHE 97 Ca 0.00 1.71 -0.22 0.00 -0.96 0.00 0.00 56.93 57.46 1til s PHE 97 Cb 0.00 -3.23 0.06 0.00 -0.34 0.00 0.00 43.02 39.51 1til s PHE 97 CO 0.00 -0.47 0.56 -0.08 -1.46 0.00 0.00 175.22 173.77 1til s THR 98 N -1.25 0.02 -0.61 0.12 -1.32 -1.26 -4.22 115.64 107.11 1til s THR 98 Ca 0.46 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.87 1til s THR 98 Cb -0.30 -1.03 0.13 0.00 -1.51 0.00 0.00 72.50 69.80 1til s THR 98 CO 0.38 -0.07 1.00 0.35 -2.21 0.00 0.00 174.62 174.07 1til n THR 99 N -0.16 0.68 -2.95 5.08 -2.24 -1.26 -4.65 114.28 108.78 1til n THR 99 Ca -0.17 -0.84 -0.14 0.00 -2.27 0.00 0.00 64.05 60.63 1til n THR 99 Cb 0.64 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1til n THR 99 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1til n LYS 100 N 0.17 1.05 0.26 -0.78 5.02 -1.26 -4.93 118.16 117.68 1til n LYS 100 Ca 0.06 -3.21 0.12 0.00 -2.02 0.00 0.00 58.31 53.26 1til n LYS 100 Cb 0.29 -1.44 0.68 0.00 -0.02 0.00 0.00 35.03 34.53 1til n LYS 100 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1til h PRO 101 N 2.97 0.00 0.00 1.97 0.13 -1.82 -1.71 132.00 133.54 1til h PRO 101 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1til h PRO 101 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1til h PRO 101 CO 0.46 0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.76 1til n GLU 102 N -3.59 0.71 -0.71 0.86 4.71 -1.26 -1.83 120.64 119.54 1til n GLU 102 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.15 1til n GLU 102 Cb 0.28 -1.44 0.20 0.00 -1.01 0.00 0.00 31.44 29.47 1til n GLU 102 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1til n LEU 103 N -0.94 3.31 -4.01 -4.62 4.77 -0.64 -4.95 117.00 109.91 1til n LEU 103 Ca 0.15 -3.88 -0.33 0.00 -0.03 0.00 0.00 56.01 51.92 1til n LEU 103 Cb 0.07 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1til n LEU 103 CO 0.11 1.37 0.02 -0.62 -1.33 0.00 0.00 177.39 176.94 1til n GLU 104 N -1.12 -4.00 -3.15 3.23 1.02 -0.76 -4.92 120.64 110.93 1til n GLU 104 Ca 0.25 0.46 -0.39 0.00 -0.02 0.00 0.00 57.16 57.46 1til n GLU 104 Cb 0.83 -5.25 -0.05 0.00 -0.02 0.00 0.00 31.44 26.95 1til n GLU 104 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1til s ARG 105 N -6.71 4.39 0.33 3.49 3.00 -1.23 -4.98 118.95 117.24 1til s ARG 105 Ca 0.68 0.70 0.23 0.00 0.00 0.00 0.00 55.73 57.35 1til s ARG 105 Cb -0.36 -3.45 0.32 0.00 0.00 0.00 0.00 34.95 31.46 1til s ARG 105 CO 0.84 0.09 1.47 0.66 0.00 0.00 0.00 175.30 178.36 1til h SER 106 N 6.77 0.00 -0.10 0.23 4.64 -1.92 -3.42 113.55 119.75 1til h SER 106 Ca -0.41 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1til h SER 106 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1til h SER 106 CO 0.76 0.01 -0.04 0.61 -0.87 0.00 0.00 176.83 177.29 1til n GLY 107 N 1.17 0.55 0.01 -0.77 0.00 -1.26 -4.32 105.19 100.57 1til n GLY 107 Ca 0.03 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1til n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1til n MET 108 N -2.85 0.15 -0.01 1.61 2.81 -1.26 -0.08 117.12 117.49 1til n MET 108 Ca -0.02 -0.03 -0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1til n MET 108 Cb 0.08 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1til n MET 108 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1til h GLY 109 N 4.76 -2.38 0.63 3.03 0.00 -1.93 -0.39 103.07 106.78 1til h GLY 109 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 47.33 48.45 1til h GLY 109 CO 0.00 -0.90 0.56 0.74 0.00 0.00 0.00 176.54 176.94 1til h PHE 110 N -0.01 1.02 -0.20 5.60 0.05 -1.89 0.04 116.94 121.55 1til h PHE 110 Ca 0.00 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1til h PHE 110 Cb 0.02 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 37.63 1til h PHE 110 CO -0.81 0.48 0.11 1.15 -0.18 0.00 0.00 178.31 179.06 1til h THR 111 N 0.97 1.06 -0.04 -1.55 2.02 -1.68 0.58 112.91 114.26 1til h THR 111 Ca 0.41 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.35 1til h THR 111 Cb 0.28 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1til h THR 111 CO -0.21 0.07 -0.30 0.40 0.37 0.00 0.00 175.52 175.84 1til h ILE 112 N 0.27 1.45 0.22 3.11 2.04 0.67 -2.87 117.51 122.42 1til h ILE 112 Ca 0.07 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.16 1til h ILE 112 Cb 0.00 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1til h ILE 112 CO -0.01 0.50 -0.46 0.24 0.00 0.00 0.00 178.15 178.42 1til h MET 113 N -0.26 -0.73 -0.23 2.37 2.86 -0.23 0.14 114.93 118.84 1til h MET 113 Ca -0.03 0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1til h MET 113 Cb 0.98 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1til h MET 113 CO 0.06 -0.49 0.29 0.93 1.06 0.00 0.00 176.91 178.77 1til h GLU 114 N -0.76 0.00 0.00 1.72 5.08 -1.00 -2.43 114.58 117.18 1til h GLU 114 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1til h GLU 114 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1til h GLU 114 CO -0.20 0.00 -1.69 0.09 -1.00 0.00 0.00 179.01 176.21 1til n ASN 115 N -3.63 0.29 -0.01 1.42 5.03 -0.65 -4.25 115.26 113.46 1til n ASN 115 Ca 0.03 -0.23 0.11 0.00 0.87 0.00 0.00 54.58 55.36 1til n ASN 115 Cb 0.42 1.66 0.10 0.00 -1.02 0.00 0.00 39.78 40.94 1til n ASN 115 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1til n PHE 116 N -2.09 0.00 -4.49 3.10 0.99 -0.05 -4.92 117.46 109.99 1til n PHE 116 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.19 1til n PHE 116 Cb 0.51 -0.15 -0.10 0.00 -1.00 0.00 0.00 39.48 38.74 1til n PHE 116 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 1til s MET 117 N -2.99 1.70 0.14 -1.08 -1.94 -1.03 -4.80 119.30 109.31 1til s MET 117 Ca 0.10 -1.86 0.01 0.00 -1.71 0.00 0.00 55.69 52.23 1til s MET 117 Cb 0.17 -1.52 -0.10 0.00 2.01 0.00 0.00 34.83 35.40 1til s MET 117 CO 0.77 0.13 1.31 -0.44 -0.01 0.00 0.00 175.02 176.77 1til h ASP 118 N 2.14 0.27 -3.92 3.03 3.32 -1.79 -3.46 116.42 116.02 1til h ASP 118 Ca -0.41 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.25 1til h ASP 118 Cb 1.24 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 1til h ASP 118 CO 0.68 1.09 -0.34 -0.70 -1.72 0.00 0.00 179.24 178.25 1til s GLU 119 N -3.03 0.39 -0.05 3.56 2.12 -1.23 -5.01 118.70 115.45 1til s GLU 119 Ca -0.03 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1til s GLU 119 Cb 0.09 0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.69 1til s GLU 119 CO 0.84 -0.05 -0.02 0.08 -0.54 0.00 0.00 175.26 175.56 1til s VAL 120 N 0.08 0.42 -0.14 3.70 1.01 -1.26 -1.48 120.40 122.72 1til s VAL 120 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1til s VAL 120 Cb -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1til s VAL 120 CO 0.01 0.22 -0.18 -0.63 0.00 0.00 0.00 175.10 174.52 1til s ILE 121 N 1.18 1.77 -0.15 2.22 -1.09 -0.27 -5.00 121.20 119.86 1til s ILE 121 Ca -0.07 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1til s ILE 121 Cb -0.14 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.11 1til s ILE 121 CO -0.02 0.49 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.43 1til s VAL 122 N 1.15 3.57 -0.01 2.92 1.01 -1.26 -0.96 120.40 126.81 1til s VAL 122 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1til s VAL 122 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1til s VAL 122 CO -0.07 0.50 -0.16 -1.61 0.00 0.00 0.00 175.10 173.76 1til s GLU 123 N 0.42 1.33 -0.14 2.72 0.41 -0.78 -5.04 118.70 117.63 1til s GLU 123 Ca -0.06 -0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 53.62 1til s GLU 123 Cb -0.15 -1.28 0.11 0.00 -1.78 0.00 0.00 34.13 31.03 1til s GLU 123 CO 0.04 0.34 0.90 0.45 -0.49 0.00 0.00 175.26 176.50 1til s SER 124 N -0.36 -0.48 -0.07 -0.19 0.15 -1.26 -1.08 113.70 110.41 1til s SER 124 Ca 0.06 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 1til s SER 124 Cb -0.06 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1til s SER 124 CO -0.01 -0.40 -0.04 -0.70 1.20 0.00 0.00 173.24 173.29 1til s GLU 125 N -0.94 1.01 -0.04 5.44 2.12 -1.05 -4.79 118.70 120.45 1til s GLU 125 Ca -0.04 -0.09 -0.38 0.00 0.36 0.00 0.00 54.97 54.81 1til s GLU 125 Cb -0.01 -1.14 -0.17 0.00 0.26 0.00 0.00 34.13 33.08 1til s GLU 125 CO 0.03 -0.20 1.42 0.28 -0.54 0.00 0.00 175.26 176.26 1til n VAL 126 N 4.66 0.08 -0.53 3.70 0.31 -1.26 -0.85 118.33 124.44 1til n VAL 126 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1til n VAL 126 Cb 0.50 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1til n VAL 126 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1til n ASN 127 N 3.19 0.00 -0.09 4.52 3.02 0.18 -4.78 115.26 121.31 1til n ASN 127 Ca 0.21 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.67 1til n ASN 127 Cb 0.15 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1til n ASN 127 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1til n LYS 128 N -2.00 0.52 -3.78 3.52 4.76 -0.03 -4.83 118.16 116.33 1til n LYS 128 Ca 0.00 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1til n LYS 128 Cb 0.00 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1til n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1til n GLY 129 N 1.48 -1.03 2.91 0.72 0.00 -0.99 -3.17 105.19 105.11 1til n GLY 129 Ca -0.14 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1til n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1til s THR 130 N -3.00 0.04 -0.07 2.61 2.01 -0.36 -2.54 115.64 114.33 1til s THR 130 Ca 0.00 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1til s THR 130 Cb 0.00 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.44 1til s THR 130 CO 0.00 -0.16 -0.00 -0.89 -0.69 0.00 0.00 174.62 172.88 1til s THR 131 N -0.47 0.40 -0.25 -0.82 2.01 -0.24 -1.20 115.64 115.07 1til s THR 131 Ca -0.05 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 1til s THR 131 Cb -0.03 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1til s THR 131 CO -0.00 0.26 0.00 -0.69 -0.69 0.00 0.00 174.62 173.50 1til s VAL 132 N 1.93 3.56 -0.26 3.82 1.01 -0.29 -1.86 120.40 128.31 1til s VAL 132 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1til s VAL 132 Cb -0.12 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1til s VAL 132 CO -0.05 0.27 0.17 -0.31 0.00 0.00 0.00 175.10 175.18 1til s TYR 133 N 1.47 3.25 -0.13 5.22 1.51 -0.13 -2.07 117.35 126.46 1til s TYR 133 Ca 0.04 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1til s TYR 133 Cb -0.16 -2.33 0.01 0.00 -0.11 0.00 0.00 41.96 39.38 1til s TYR 133 CO -0.01 -0.09 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.66 1til s LEU 134 N 1.48 1.85 0.31 -1.29 1.02 0.73 -1.11 118.68 121.66 1til s LEU 134 Ca 0.07 -0.50 0.07 0.00 0.02 0.00 0.00 54.13 53.79 1til s LEU 134 Cb -0.15 -1.23 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 1til s LEU 134 CO 0.08 0.02 0.30 -0.75 0.02 0.00 0.00 176.35 176.02 1til s LYS 135 N 1.05 2.88 -0.30 1.70 2.20 -0.55 0.26 119.74 126.98 1til s LYS 135 Ca -0.04 -1.16 -0.18 0.00 -0.36 0.00 0.00 55.97 54.23 1til s LYS 135 Cb -0.15 -2.58 0.19 0.00 -1.51 0.00 0.00 37.83 33.78 1til s LYS 135 CO -0.04 0.18 1.22 0.21 -0.36 0.00 0.00 175.35 176.57 1til s LYS 136 N -3.99 0.08 -0.11 4.03 2.47 -0.26 -2.53 119.74 119.43 1til s LYS 136 Ca 0.39 0.19 -0.24 0.00 -1.56 0.00 0.00 55.97 54.75 1til s LYS 136 Cb -0.07 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.38 1til s LYS 136 CO 0.27 -0.04 0.74 -1.01 0.16 0.00 0.00 175.35 175.47 1til s HIS 137 N 2.30 3.51 -0.50 4.03 3.76 -1.26 0.68 115.29 127.81 1til s HIS 137 Ca -0.01 1.23 -0.18 0.00 -0.15 0.00 0.00 55.06 55.94 1til s HIS 137 Cb -0.03 -2.88 0.06 0.00 1.11 0.00 0.00 32.58 30.84 1til s HIS 137 CO -0.15 -0.04 0.56 0.42 -0.85 0.00 0.00 174.74 174.68 1til s ILE 138 N 1.34 4.97 -0.08 0.60 -1.09 0.17 -4.97 121.20 122.14 1til s ILE 138 Ca 0.37 -0.63 -0.36 0.00 -2.23 0.00 0.00 60.65 57.81 1til s ILE 138 Cb -0.17 -4.25 -0.14 0.00 -1.58 0.00 0.00 42.46 36.32 1til s ILE 138 CO 0.16 -0.74 1.73 0.52 -1.23 0.00 0.00 174.94 175.38 1til n VAL 139 N 5.51 0.34 -4.50 2.92 0.31 -1.26 -4.88 118.33 116.78 1til n VAL 139 Ca -0.08 -0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 1til n VAL 139 Cb 0.45 -1.52 -0.14 0.00 -0.91 0.00 0.00 33.84 31.72 1til n VAL 139 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1til s LYS 140 N 3.00 3.37 0.00 5.55 2.47 -1.26 -4.75 119.74 128.12 1til s LYS 140 Ca 0.91 -0.67 0.30 0.00 -1.56 0.00 0.00 55.97 54.95 1til s LYS 140 Cb -0.83 -2.73 1.82 0.00 -1.46 0.00 0.00 37.83 34.63 1til s LYS 140 CO 0.53 0.08 2.14 0.45 0.16 0.00 0.00 175.35 178.71