#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djm n ALA 2 N 0.00 0.00 -1.17 3.04 0.00 -1.26 -5.15 120.51 115.97 1djm n ALA 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1djm n ALA 2 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1djm n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1djm n ASP 3 N 0.00 -1.57 0.18 0.00 8.00 -1.26 -4.90 116.55 117.00 1djm n ASP 3 Ca 0.00 -1.11 0.18 0.00 0.71 0.00 0.00 54.79 54.58 1djm n ASP 3 Cb 0.00 -0.83 0.77 0.00 -0.02 0.00 0.00 41.12 41.04 1djm n ASP 3 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1djm h LYS 4 N 0.00 0.00 -5.77 -1.24 1.63 -2.06 -3.45 116.57 105.68 1djm h LYS 4 Ca -0.34 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.10 1djm h LYS 4 Cb 1.02 0.00 0.14 0.00 -0.60 0.00 0.00 32.23 32.79 1djm h LYS 4 CO 0.23 0.00 -0.78 -1.91 -3.45 0.00 0.00 179.45 173.54 1djm n GLU 5 N -3.44 -6.35 -1.74 1.90 4.07 -1.26 -4.82 120.64 108.99 1djm n GLU 5 Ca 0.04 0.80 -0.43 0.00 -0.06 0.00 0.00 57.16 57.51 1djm n GLU 5 Cb 0.52 -5.72 -0.03 0.00 -0.06 0.00 0.00 31.44 26.15 1djm n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1djm s LEU 6 N -6.51 3.65 0.40 4.31 2.96 -1.26 -4.95 118.68 117.28 1djm s LEU 6 Ca 0.05 1.88 -0.19 0.00 -0.22 0.00 0.00 54.13 55.65 1djm s LEU 6 Cb -0.02 -3.52 -0.10 0.00 0.50 0.00 0.00 46.19 43.04 1djm s LEU 6 CO 0.75 -1.70 0.89 -0.75 -1.32 0.00 0.00 176.35 174.22 1djm s LYS 7 N 5.76 4.17 -0.28 1.98 2.20 -1.26 -4.69 119.74 127.62 1djm s LYS 7 Ca 0.92 1.00 0.03 0.00 -0.36 0.00 0.00 55.97 57.56 1djm s LYS 7 Cb -0.32 -2.25 0.07 0.00 -1.51 0.00 0.00 37.83 33.82 1djm s LYS 7 CO 0.35 0.02 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.26 1djm s PHE 8 N -2.12 3.28 0.20 4.03 0.40 -0.12 -2.46 117.98 121.19 1djm s PHE 8 Ca 0.60 -2.46 -0.30 0.00 -0.60 0.00 0.00 56.93 54.17 1djm s PHE 8 Cb -0.09 -2.20 -0.08 0.00 0.51 0.00 0.00 43.02 41.16 1djm s PHE 8 CO 0.14 -0.89 1.15 -1.17 0.70 0.00 0.00 175.22 175.16 1djm s LEU 9 N 1.09 4.48 -0.24 -0.37 2.96 -0.59 -0.62 118.68 125.39 1djm s LEU 9 Ca -0.02 2.20 -0.03 0.00 -0.22 0.00 0.00 54.13 56.06 1djm s LEU 9 Cb -0.19 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 42.96 1djm s LEU 9 CO -0.07 -0.29 0.08 -0.69 -1.32 0.00 0.00 176.35 174.06 1djm s VAL 10 N -0.30 0.36 -0.60 1.68 1.01 -0.28 -0.94 120.40 121.33 1djm s VAL 10 Ca 0.50 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1djm s VAL 10 Cb -0.32 -1.08 0.24 0.00 0.00 0.00 0.00 36.38 35.22 1djm s VAL 10 CO 0.37 -0.44 0.69 0.52 0.00 0.00 0.00 175.10 176.24 1djm n VAL 11 N 5.09 1.82 -2.82 2.92 0.31 -0.18 -3.99 118.33 121.47 1djm n VAL 11 Ca -0.06 -5.00 -0.40 0.00 -0.01 0.00 0.00 64.34 58.87 1djm n VAL 11 Cb 0.45 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1djm n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1djm s ASP 12 N -2.19 7.53 0.46 4.52 1.11 -1.26 -1.46 116.67 125.37 1djm s ASP 12 Ca 0.38 1.81 0.21 0.00 0.18 0.00 0.00 52.55 55.13 1djm s ASP 12 Cb 0.14 -2.57 1.19 0.00 1.07 0.00 0.00 42.92 42.75 1djm s ASP 12 CO -0.04 0.13 1.91 -0.78 1.18 0.00 0.00 175.17 177.56 1djm h ASP 13 N 4.53 0.27 -3.26 0.27 3.58 -1.92 -3.41 116.42 116.48 1djm h ASP 13 Ca -0.45 0.02 -0.66 0.00 0.42 0.00 0.00 57.03 56.36 1djm h ASP 13 Cb 1.20 -0.03 -0.31 0.00 1.72 0.00 0.00 39.33 41.92 1djm h ASP 13 CO 0.68 0.12 -0.78 0.12 -2.88 0.00 0.00 179.24 176.51 1djm s PHE 14 N -5.28 2.88 0.19 0.28 5.36 -1.26 -5.03 117.98 115.12 1djm s PHE 14 Ca -0.07 -1.20 -0.13 0.00 -0.96 0.00 0.00 56.93 54.57 1djm s PHE 14 Cb 0.21 -2.02 0.19 0.00 -0.34 0.00 0.00 43.02 41.07 1djm s PHE 14 CO 0.77 -0.64 1.71 0.77 -1.46 0.00 0.00 175.22 176.37 1djm h SER 15 N 7.98 -0.05 -0.73 6.13 0.02 -2.00 -0.25 113.55 124.65 1djm h SER 15 Ca -0.42 0.10 0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1djm h SER 15 Cb 1.16 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1djm h SER 15 CO 0.61 0.00 0.28 0.74 -1.14 0.00 0.00 176.83 177.33 1djm h THR 16 N 0.21 0.68 -0.81 -2.27 2.02 -1.95 0.27 112.91 111.05 1djm h THR 16 Ca 0.25 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1djm h THR 16 Cb 0.35 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1djm h THR 16 CO -0.35 0.08 0.51 -0.03 0.37 0.00 0.00 175.52 176.11 1djm h MET 17 N 0.43 1.07 -0.24 6.66 -1.53 -1.46 0.02 114.93 119.89 1djm h MET 17 Ca 0.39 -0.08 -0.09 0.00 -3.44 0.00 0.00 59.70 56.48 1djm h MET 17 Cb 0.58 -0.24 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 1djm h MET 17 CO -0.39 0.73 -0.21 -0.09 0.14 0.00 0.00 176.91 177.09 1djm h ARG 18 N 1.10 0.56 -0.23 0.39 1.12 0.02 -0.02 114.38 117.32 1djm h ARG 18 Ca 0.29 -0.29 0.06 0.00 -1.11 0.00 0.00 59.98 58.93 1djm h ARG 18 Cb -0.09 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 29.81 1djm h ARG 18 CO -0.06 0.87 -0.20 0.00 -3.11 0.00 0.00 179.97 177.48 1djm h ARG 19 N 0.26 -0.19 0.45 0.20 2.47 -0.48 -0.34 114.38 116.75 1djm h ARG 19 Ca 0.04 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1djm h ARG 19 Cb 0.76 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1djm h ARG 19 CO 0.05 -0.13 -0.38 0.82 0.56 0.00 0.00 179.97 180.89 1djm h ILE 20 N -0.20 0.00 -0.51 2.04 5.03 -0.58 -0.22 117.51 123.07 1djm h ILE 20 Ca 0.13 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.97 1djm h ILE 20 Cb 0.40 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.11 1djm h ILE 20 CO -0.35 0.00 0.04 0.58 -0.68 0.00 0.00 178.15 177.74 1djm h VAL 21 N -0.81 0.63 -0.19 1.67 2.07 -0.80 0.19 116.25 119.00 1djm h VAL 21 Ca -0.06 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1djm h VAL 21 Cb 0.69 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1djm h VAL 21 CO -0.01 0.03 -0.04 -0.09 0.02 0.00 0.00 177.57 177.49 1djm h ARG 22 N 0.16 0.02 -0.72 1.57 2.43 -1.02 -0.43 114.38 116.38 1djm h ARG 22 Ca 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1djm h ARG 22 Cb 0.39 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1djm h ARG 22 CO -0.40 0.01 0.46 -0.97 -1.51 0.00 0.00 179.97 177.56 1djm h ASN 23 N 0.02 0.85 -0.72 -3.80 -1.24 0.85 -0.46 115.58 111.07 1djm h ASN 23 Ca 0.09 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 1djm h ASN 23 Cb 0.13 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1djm h ASN 23 CO -0.19 0.63 0.24 -0.07 -1.29 0.00 0.00 177.43 176.76 1djm h LEU 24 N 0.98 1.04 -0.11 0.34 3.38 -0.31 0.15 115.31 120.78 1djm h LEU 24 Ca 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1djm h LEU 24 Cb -0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1djm h LEU 24 CO -0.05 0.95 0.02 -0.07 0.09 0.00 0.00 178.44 179.38 1djm h LEU 25 N 1.08 0.17 -1.03 1.67 3.38 -0.78 -2.56 115.31 117.23 1djm h LEU 25 Ca 0.24 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1djm h LEU 25 Cb 0.28 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1djm h LEU 25 CO -0.01 0.37 0.65 0.11 0.09 0.00 0.00 178.44 179.65 1djm h LYS 26 N -0.03 1.22 -0.14 1.13 1.79 -0.78 0.92 116.57 120.67 1djm h LYS 26 Ca 0.03 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1djm h LYS 26 Cb 0.27 -0.28 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 1djm h LYS 26 CO 0.00 0.81 -0.10 0.93 -1.08 0.00 0.00 179.45 180.01 1djm h GLU 27 N 1.26 -0.11 -0.16 3.15 4.39 -0.63 -2.51 114.58 119.98 1djm h GLU 27 Ca 0.39 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1djm h GLU 27 Cb -0.01 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1djm h GLU 27 CO -0.12 -0.07 0.08 -0.07 -1.16 0.00 0.00 179.01 177.67 1djm h LEU 28 N -0.11 0.20 0.00 1.33 3.38 -0.96 -3.47 115.31 115.67 1djm h LEU 28 Ca 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1djm h LEU 28 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1djm h LEU 28 CO -0.21 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1djm n GLY 29 N -0.83 0.89 3.74 0.83 0.00 0.26 -5.12 105.19 104.96 1djm n GLY 29 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1djm n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 30 N -0.07 3.03 0.25 1.61 0.08 -0.85 -4.83 117.98 117.21 1djm s PHE 30 Ca 0.00 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 57.87 1djm s PHE 30 Cb 0.00 -3.85 0.04 0.00 -0.57 0.00 0.00 43.02 38.64 1djm s PHE 30 CO 0.00 -2.88 0.50 0.27 -0.10 0.00 0.00 175.22 173.01 1djm n ASN 31 N 2.83 -1.45 -2.71 1.36 0.23 -1.26 -2.94 115.26 111.32 1djm n ASN 31 Ca 0.09 -2.04 -0.07 0.00 -0.53 0.00 0.00 54.58 52.03 1djm n ASN 31 Cb 0.40 2.43 0.01 0.00 -2.08 0.00 0.00 39.78 40.53 1djm n ASN 31 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1djm n ASN 32 N -1.37 -7.36 -4.89 0.53 5.15 -1.26 -4.54 115.26 101.51 1djm n ASN 32 Ca -0.05 0.52 -0.29 0.00 -0.60 0.00 0.00 54.58 54.15 1djm n ASN 32 Cb 0.38 -4.95 0.01 0.00 -0.53 0.00 0.00 39.78 34.69 1djm n ASN 32 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1djm s VAL 33 N -2.41 4.58 0.06 3.44 -7.23 -1.26 -0.95 120.40 116.64 1djm s VAL 33 Ca 0.22 0.44 0.07 0.00 -1.81 0.00 0.00 61.98 60.89 1djm s VAL 33 Cb -0.06 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1djm s VAL 33 CO 0.69 -0.89 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.84 1djm s GLU 34 N -4.97 2.13 0.39 4.82 0.41 0.21 -4.81 118.70 116.87 1djm s GLU 34 Ca 0.52 -0.98 0.03 0.00 -0.41 0.00 0.00 54.97 54.13 1djm s GLU 34 Cb -0.11 -2.27 -0.01 0.00 -1.78 0.00 0.00 34.13 29.97 1djm s GLU 34 CO 0.49 0.53 0.57 -1.21 -0.49 0.00 0.00 175.26 175.15 1djm s GLU 35 N -1.76 3.13 0.33 1.61 8.01 -1.26 -1.12 118.70 127.63 1djm s GLU 35 Ca 0.17 -0.71 0.06 0.00 0.01 0.00 0.00 54.97 54.51 1djm s GLU 35 Cb -0.11 -2.69 -0.07 0.00 -4.31 0.00 0.00 34.13 26.96 1djm s GLU 35 CO 0.09 -0.08 -0.00 0.00 0.01 0.00 0.00 175.26 175.28 1djm s ALA 36 N -2.36 2.59 0.02 5.21 0.00 -1.26 -4.90 121.76 121.06 1djm s ALA 36 Ca 0.46 -2.07 0.12 0.00 0.00 0.00 0.00 51.96 50.47 1djm s ALA 36 Cb -0.10 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.42 1djm s ALA 36 CO 0.35 -0.16 1.43 0.93 0.00 0.00 0.00 175.76 178.31 1djm h GLU 37 N 2.08 0.00 -1.32 0.00 5.08 -1.96 -3.46 114.58 115.00 1djm h GLU 37 Ca -0.41 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.20 1djm h GLU 37 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 1djm h GLU 37 CO 0.72 0.68 0.85 0.34 -1.00 0.00 0.00 179.01 180.60 1djm s ASP 38 N -6.58 -0.11 0.30 1.42 2.15 -1.26 -5.01 116.67 107.58 1djm s ASP 38 Ca 0.02 0.04 0.03 0.00 0.43 0.00 0.00 52.55 53.07 1djm s ASP 38 Cb 0.09 0.11 0.77 0.00 -0.30 0.00 0.00 42.92 43.59 1djm s ASP 38 CO 0.77 -0.16 1.60 1.23 -0.17 0.00 0.00 175.17 178.43 1djm h GLY 39 N 2.06 1.35 1.37 2.66 0.00 -1.90 0.29 103.07 108.89 1djm h GLY 39 Ca -0.08 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1djm h GLY 39 CO 0.23 -0.48 -0.03 -2.08 0.00 0.00 0.00 176.54 174.18 1djm h VAL 40 N 0.08 1.24 -0.06 4.60 2.07 -1.91 -1.18 116.25 121.09 1djm h VAL 40 Ca 0.59 -1.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1djm h VAL 40 Cb 1.25 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1djm h VAL 40 CO -0.80 0.36 -0.54 -0.78 0.02 0.00 0.00 177.57 175.84 1djm h ASP 41 N 0.71 0.20 0.25 0.57 3.58 -1.51 -2.94 116.42 117.28 1djm h ASP 41 Ca 0.14 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1djm h ASP 41 Cb 0.48 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1djm h ASP 41 CO 0.02 0.70 -0.17 0.00 -2.88 0.00 0.00 179.24 176.91 1djm h ALA 42 N 1.31 -0.39 -1.00 -0.78 0.00 0.65 -0.01 119.26 119.04 1djm h ALA 42 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1djm h ALA 42 Cb 0.99 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1djm h ALA 42 CO 0.08 -0.73 0.65 1.25 0.00 0.00 0.00 179.25 180.50 1djm h LEU 43 N -0.41 1.08 -0.08 0.00 5.85 -1.35 -1.16 115.31 119.23 1djm h LEU 43 Ca -0.02 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1djm h LEU 43 Cb 0.35 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1djm h LEU 43 CO 0.01 0.73 -0.11 0.78 -0.34 0.00 0.00 178.44 179.51 1djm h ASN 44 N 1.25 -0.34 -0.48 1.25 2.35 -1.25 -1.83 115.58 116.53 1djm h ASN 44 Ca 0.40 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 56.28 1djm h ASN 44 Cb 0.03 0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 1djm h ASN 44 CO -0.13 -0.15 0.18 0.11 -1.65 0.00 0.00 177.43 175.78 1djm h LYS 45 N -0.15 0.35 -0.37 0.81 1.79 0.01 -0.78 116.57 118.24 1djm h LYS 45 Ca 0.07 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1djm h LYS 45 Cb 0.25 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 1djm h LYS 45 CO -0.17 0.23 0.18 -0.07 -1.08 0.00 0.00 179.45 178.54 1djm h LEU 46 N 0.36 0.26 -0.17 2.94 3.38 -1.00 -2.11 115.31 118.96 1djm h LEU 46 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1djm h LEU 46 Cb 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1djm h LEU 46 CO -0.22 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1djm n GLN 47 N -4.94 1.11 0.35 1.13 6.02 -0.71 -2.51 117.38 117.83 1djm n GLN 47 Ca 0.01 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.00 56.66 1djm n GLN 47 Cb 0.09 -1.26 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 1djm n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djm h ALA 48 N 3.56 -0.88 0.00 -1.58 0.00 -0.44 -3.47 119.26 116.45 1djm h ALA 48 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1djm h ALA 48 Cb 0.07 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1djm h ALA 48 CO 0.00 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.72 1djm n GLY 49 N -1.16 -1.45 3.08 0.00 0.00 -1.05 -5.12 105.19 99.51 1djm n GLY 49 Ca -0.13 0.92 -0.14 0.00 0.00 0.00 0.00 46.02 46.67 1djm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djm n GLY 50 N 0.00 -1.26 3.93 -0.02 0.00 -1.06 -5.01 105.19 101.78 1djm n GLY 50 Ca 0.00 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.56 1djm n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djm s TYR 51 N -1.75 1.96 0.00 1.61 2.02 -1.26 -5.03 117.35 114.90 1djm s TYR 51 Ca 0.19 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1djm s TYR 51 Cb -0.03 -3.79 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 1djm s TYR 51 CO 0.65 -2.27 0.07 0.41 -1.57 0.00 0.00 175.55 172.84 1djm n GLY 52 N -3.50 -0.17 3.66 0.71 0.00 -1.03 -4.98 105.19 99.88 1djm n GLY 52 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1djm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djm s PHE 53 N -0.87 2.84 -0.44 1.61 0.40 -1.08 -4.30 117.98 116.14 1djm s PHE 53 Ca 0.00 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1djm s PHE 53 Cb 0.00 -1.39 0.13 0.00 0.51 0.00 0.00 43.02 42.27 1djm s PHE 53 CO 0.00 0.51 0.22 0.08 0.70 0.00 0.00 175.22 176.73 1djm s VAL 54 N -1.69 1.65 -0.20 -0.44 1.01 -0.96 -1.54 120.40 118.23 1djm s VAL 54 Ca 0.27 -2.59 -0.09 0.00 0.00 0.00 0.00 61.98 59.57 1djm s VAL 54 Cb -0.09 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1djm s VAL 54 CO 0.18 -0.84 0.11 -0.63 0.00 0.00 0.00 175.10 173.92 1djm s ILE 55 N 0.37 5.17 0.14 2.22 1.01 -0.12 -0.64 121.20 129.36 1djm s ILE 55 Ca 0.16 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.79 1djm s ILE 55 Cb -0.24 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1djm s ILE 55 CO -0.02 0.44 0.36 -0.94 0.00 0.00 0.00 174.94 174.77 1djm s SER 56 N 0.44 -0.11 1.12 3.58 1.04 -0.69 -1.01 113.70 118.08 1djm s SER 56 Ca 0.06 -0.54 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 1djm s SER 56 Cb -0.12 0.46 0.20 0.00 0.10 0.00 0.00 66.02 66.66 1djm s SER 56 CO -0.01 -0.88 0.83 -0.67 0.98 0.00 0.00 173.24 173.50 1djm n ASP 57 N -0.21 -1.23 -0.02 7.02 2.03 -0.54 -0.36 116.55 123.24 1djm n ASP 57 Ca -0.13 -1.09 -0.02 0.00 0.52 0.00 0.00 54.79 54.07 1djm n ASP 57 Cb 0.63 -0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 40.28 1djm n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1djm n TRP 58 N -3.93 0.00 0.81 -0.67 -0.00 -1.26 -4.57 117.44 107.83 1djm n TRP 58 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1djm n TRP 58 Cb 0.42 -0.19 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 1djm n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1djm n ASN 59 N -2.30 1.05 -4.79 5.87 2.85 -1.26 -1.59 115.26 115.08 1djm n ASN 59 Ca -0.07 -1.62 -0.36 0.00 -0.11 0.00 0.00 54.58 52.42 1djm n ASN 59 Cb 0.62 -0.41 -0.05 0.00 1.24 0.00 0.00 39.78 41.19 1djm n ASN 59 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1djm s MET 60 N -0.82 4.15 0.25 1.20 1.75 -1.26 -5.02 119.30 119.54 1djm s MET 60 Ca 0.00 1.42 -0.04 0.00 -1.25 0.00 0.00 55.69 55.81 1djm s MET 60 Cb 0.00 -2.44 0.06 0.00 2.84 0.00 0.00 34.83 35.29 1djm s MET 60 CO 0.00 -0.14 0.28 -0.35 -0.65 0.00 0.00 175.02 174.16 1djm n PRO 61 N -0.24 -0.82 0.00 4.11 -0.04 -1.26 -4.05 135.00 132.70 1djm n PRO 61 Ca 0.06 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1djm n PRO 61 Cb 0.51 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 1djm n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djm n ASN 62 N -3.29 0.00 -4.48 3.54 4.13 -1.26 -3.40 115.26 110.50 1djm n ASN 62 Ca 0.04 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.86 1djm n ASN 62 Cb 0.13 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1djm n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1djm s MET 63 N 0.00 3.80 0.80 3.52 1.75 -1.26 -5.02 119.30 122.89 1djm s MET 63 Ca 0.00 -2.00 -0.13 0.00 -1.25 0.00 0.00 55.69 52.32 1djm s MET 63 Cb 0.00 -5.06 0.08 0.00 2.84 0.00 0.00 34.83 32.69 1djm s MET 63 CO 0.00 -1.85 1.17 0.16 -0.65 0.00 0.00 175.02 173.85 1djm s ASP 64 N 3.54 3.81 0.59 1.11 1.47 -1.22 -4.37 116.67 121.60 1djm s ASP 64 Ca 0.39 2.23 0.35 0.00 1.18 0.00 0.00 52.55 56.70 1djm s ASP 64 Cb -0.03 -2.57 1.88 0.00 -0.34 0.00 0.00 42.92 41.86 1djm s ASP 64 CO -0.05 -2.52 2.21 1.23 0.68 0.00 0.00 175.17 176.73 1djm h GLY 65 N -0.94 0.00 1.58 2.12 0.00 -1.53 0.16 103.07 104.45 1djm h GLY 65 Ca -0.45 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.61 1djm h GLY 65 CO 0.47 0.00 -1.17 -2.00 0.00 0.00 0.00 176.54 173.84 1djm h LEU 66 N 0.00 0.49 0.00 3.11 7.12 -1.91 -1.27 115.31 122.86 1djm h LEU 66 Ca -0.00 -0.48 -0.13 0.00 0.13 0.00 0.00 57.88 57.40 1djm h LEU 66 Cb 0.16 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1djm h LEU 66 CO 0.00 1.34 -0.62 1.05 -0.13 0.00 0.00 178.44 180.09 1djm h GLU 67 N 0.13 0.00 0.31 1.25 -0.00 -1.48 0.11 114.58 114.91 1djm h GLU 67 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.23 1djm h GLU 67 Cb 1.87 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.61 1djm h GLU 67 CO 0.20 0.60 -0.23 1.25 -0.00 0.00 0.00 179.01 180.82 1djm h LEU 68 N 0.00 -0.60 0.16 3.06 5.85 -0.82 0.20 115.31 123.16 1djm h LEU 68 Ca -0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1djm h LEU 68 Cb 1.47 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 1djm h LEU 68 CO 0.08 -0.36 -0.46 0.25 -0.34 0.00 0.00 178.44 177.61 1djm h LEU 69 N -0.54 -1.36 -1.72 2.25 5.85 -1.14 -0.40 115.31 118.24 1djm h LEU 69 Ca -0.02 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1djm h LEU 69 Cb 0.47 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1djm h LEU 69 CO -0.00 -0.53 -0.17 0.11 -0.34 0.00 0.00 178.44 177.50 1djm h LYS 70 N -0.73 0.00 0.36 1.25 1.57 -0.61 0.22 116.57 118.63 1djm h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1djm h LYS 70 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1djm h LYS 70 CO -0.24 0.17 -0.17 1.15 -0.57 0.00 0.00 179.45 179.79 1djm h THR 71 N 0.00 0.66 -0.39 -0.16 2.02 -0.30 -3.00 112.91 111.73 1djm h THR 71 Ca -0.00 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.03 1djm h THR 71 Cb 0.35 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1djm h THR 71 CO 0.02 0.04 0.13 0.40 0.37 0.00 0.00 175.52 176.48 1djm h ILE 72 N -0.59 0.87 0.00 3.11 2.04 0.57 -1.82 117.51 121.68 1djm h ILE 72 Ca -0.05 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1djm h ILE 72 Cb 0.44 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1djm h ILE 72 CO 0.08 0.05 0.00 0.54 0.00 0.00 0.00 178.15 178.82 1djm n ARG 73 N -5.03 0.12 0.00 2.37 5.12 0.61 -2.08 116.66 117.77 1djm n ARG 73 Ca 0.02 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 1djm n ARG 73 Cb 0.15 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1djm n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djm n ALA 74 N -1.30 -0.22 -2.00 7.54 0.00 -0.69 -4.74 120.51 119.11 1djm n ALA 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1djm n ALA 74 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1djm n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1djm n ASP 75 N -1.25 0.00 -1.76 0.00 -0.08 -1.25 -4.86 116.55 107.34 1djm n ASP 75 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1djm n ASP 75 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1djm n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1djm n GLY 76 N 0.00 1.32 4.56 0.27 0.00 -1.26 -1.00 105.19 109.08 1djm n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1djm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 77 N 0.47 0.00 0.37 4.61 0.00 -1.26 -4.77 120.51 119.93 1djm n ALA 77 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1djm n ALA 77 Cb 0.65 -0.60 0.53 0.00 0.00 0.00 0.00 19.45 20.03 1djm n ALA 77 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1djm h MET 78 N 0.18 0.00 -1.07 0.00 2.86 -1.28 -1.44 114.93 114.19 1djm h MET 78 Ca 0.00 0.00 0.38 0.00 -2.06 0.00 0.00 59.70 58.02 1djm h MET 78 Cb 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.51 1djm h MET 78 CO 0.00 0.00 0.62 0.66 1.06 0.00 0.00 176.91 179.25 1djm h SER 79 N 0.00 0.39 1.44 1.22 4.64 -0.93 -0.24 113.55 120.07 1djm h SER 79 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1djm h SER 79 Cb 0.49 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1djm h SER 79 CO 0.00 -0.24 -0.12 0.00 -0.87 0.00 0.00 176.83 175.60 1djm h ALA 80 N 1.84 0.92 -2.66 5.18 0.00 -1.58 -3.47 119.26 119.48 1djm h ALA 80 Ca 0.79 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 55.17 1djm h ALA 80 Cb 2.05 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.89 1djm h ALA 80 CO -0.61 0.00 0.84 -0.51 0.00 0.00 0.00 179.25 178.97 1djm s LEU 81 N -4.71 4.37 -0.98 0.00 1.43 -0.10 -4.91 118.68 113.78 1djm s LEU 81 Ca 0.09 2.65 -0.24 0.00 -1.03 0.00 0.00 54.13 55.61 1djm s LEU 81 Cb 0.11 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1djm s LEU 81 CO 0.63 -0.79 1.90 -2.16 0.23 0.00 0.00 176.35 176.16 1djm s PRO 82 N 0.56 2.66 -0.47 1.29 0.04 -1.26 -4.90 135.00 132.92 1djm s PRO 82 Ca 0.66 -0.59 -0.27 0.00 0.04 0.00 0.00 61.00 60.84 1djm s PRO 82 Cb -0.43 -5.14 -0.03 0.00 0.04 0.00 0.00 34.50 28.94 1djm s PRO 82 CO 0.36 -3.39 1.93 0.14 0.04 0.00 0.00 177.00 176.09 1djm s VAL 83 N 9.74 3.33 -0.30 -0.36 -7.23 -1.25 -2.28 120.40 122.05 1djm s VAL 83 Ca 0.67 0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 61.10 1djm s VAL 83 Cb -0.05 -3.65 0.05 0.00 0.56 0.00 0.00 36.38 33.30 1djm s VAL 83 CO 0.02 -0.54 0.01 -0.22 -0.31 0.00 0.00 175.10 174.05 1djm s LEU 84 N 8.67 3.93 -0.08 1.32 2.96 0.18 -0.83 118.68 134.82 1djm s LEU 84 Ca 0.78 -1.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.20 1djm s LEU 84 Cb -0.18 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1djm s LEU 84 CO 0.27 -0.26 0.65 -0.04 -1.32 0.00 0.00 176.35 175.65 1djm s MET 85 N 1.26 4.41 -0.35 1.98 -1.94 -0.70 -1.71 119.30 122.25 1djm s MET 85 Ca -0.05 0.78 -0.00 0.00 -1.71 0.00 0.00 55.69 54.71 1djm s MET 85 Cb -0.20 -3.45 0.12 0.00 2.01 0.00 0.00 34.83 33.32 1djm s MET 85 CO -0.01 0.08 0.17 0.08 -0.01 0.00 0.00 175.02 175.33 1djm s VAL 86 N 0.79 0.61 0.35 -6.03 1.01 0.52 -0.50 120.40 117.15 1djm s VAL 86 Ca 0.35 -1.66 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1djm s VAL 86 Cb -0.17 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1djm s VAL 86 CO 0.16 -0.83 0.11 0.28 0.00 0.00 0.00 175.10 174.82 1djm s THR 87 N 1.23 0.70 -0.20 3.92 -1.32 -0.00 -3.47 115.64 116.50 1djm s THR 87 Ca 0.14 -2.00 0.20 0.00 -1.21 0.00 0.00 61.69 58.82 1djm s THR 87 Cb -0.21 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1djm s THR 87 CO -0.13 0.00 1.03 0.00 -2.21 0.00 0.00 174.62 173.31 1djm h ALA 88 N 2.01 0.61 -2.14 11.08 0.00 -1.94 0.61 119.26 129.50 1djm h ALA 88 Ca -0.37 -0.38 -0.61 0.00 0.00 0.00 0.00 54.91 53.55 1djm h ALA 88 Cb 1.26 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1djm h ALA 88 CO 0.60 0.43 0.41 -1.21 0.00 0.00 0.00 179.25 179.47 1djm s GLU 89 N -3.14 3.73 0.00 0.00 0.41 -1.26 -4.43 118.70 114.01 1djm s GLU 89 Ca -0.01 0.30 0.03 0.00 -0.41 0.00 0.00 54.97 54.89 1djm s GLU 89 Cb 0.09 -3.82 0.19 0.00 -1.78 0.00 0.00 34.13 28.80 1djm s GLU 89 CO 0.79 -0.90 0.81 0.00 -0.49 0.00 0.00 175.26 175.46 1djm n ALA 90 N 6.52 2.18 -1.63 5.21 0.00 -1.26 -4.85 120.51 126.68 1djm n ALA 90 Ca 0.04 -0.02 -0.49 0.00 0.00 0.00 0.00 53.44 52.97 1djm n ALA 90 Cb 0.48 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 1djm n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1djm n LYS 91 N -0.58 1.86 -0.14 0.00 3.00 -1.26 -4.84 118.16 116.20 1djm n LYS 91 Ca 0.02 0.64 0.01 0.00 -0.00 0.00 0.00 58.31 58.98 1djm n LYS 91 Cb 0.01 -2.64 0.28 0.00 0.00 0.00 0.00 35.03 32.68 1djm n LYS 91 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1djm h LYS 92 N 10.40 0.84 -0.59 1.64 1.57 -1.99 -0.51 116.57 127.93 1djm h LYS 92 Ca -0.43 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1djm h LYS 92 Cb 1.28 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1djm h LYS 92 CO 0.97 0.60 0.33 1.49 -0.57 0.00 0.00 179.45 182.27 1djm h GLU 93 N 0.85 0.62 -0.82 3.15 4.22 -1.99 0.16 114.58 120.77 1djm h GLU 93 Ca 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.61 1djm h GLU 93 Cb -0.01 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1djm h GLU 93 CO -0.04 0.41 0.44 -0.91 -2.18 0.00 0.00 179.01 176.73 1djm h ASN 94 N 0.64 1.02 -0.08 1.04 -0.26 -1.52 0.12 115.58 116.54 1djm h ASN 94 Ca 0.25 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1djm h ASN 94 Cb 0.11 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1djm h ASN 94 CO -0.15 0.83 0.02 0.40 -1.06 0.00 0.00 177.43 177.47 1djm h ILE 95 N 1.14 1.20 0.12 2.81 2.04 0.01 0.97 117.51 125.80 1djm h ILE 95 Ca 0.29 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1djm h ILE 95 Cb 0.04 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1djm h ILE 95 CO -0.05 0.18 -0.09 0.40 0.00 0.00 0.00 178.15 178.59 1djm h ILE 96 N -0.08 0.80 -0.83 -0.67 2.04 -0.53 -0.97 117.51 117.27 1djm h ILE 96 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1djm h ILE 96 Cb 0.26 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 1djm h ILE 96 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1djm h ALA 97 N 0.66 1.16 0.02 1.87 0.00 -0.58 0.33 119.26 122.72 1djm h ALA 97 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1djm h ALA 97 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1djm h ALA 97 CO -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.39 1djm h ALA 98 N 1.43 -0.03 -0.68 0.00 0.00 -0.58 0.40 119.26 119.79 1djm h ALA 98 Ca 0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1djm h ALA 98 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1djm h ALA 98 CO -0.21 -0.48 0.27 0.00 0.00 0.00 0.00 179.25 178.83 1djm h ALA 99 N 0.86 0.89 0.29 0.00 0.00 -0.23 -0.32 119.26 120.75 1djm h ALA 99 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1djm h ALA 99 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1djm h ALA 99 CO 0.01 0.51 -0.27 1.96 0.00 0.00 0.00 179.25 181.46 1djm h GLN 100 N 0.97 -0.56 0.00 0.00 1.08 -0.30 -1.76 115.11 114.54 1djm h GLN 100 Ca 0.23 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1djm h GLN 100 Cb 0.22 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1djm h GLN 100 CO -0.02 -0.38 0.00 0.00 -0.95 0.00 0.00 178.83 177.49 1djm n ALA 101 N -2.54 1.44 -2.12 3.87 0.00 0.12 -4.87 120.51 116.41 1djm n ALA 101 Ca -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1djm n ALA 101 Cb 0.30 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1djm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djm n GLY 102 N -0.72 0.25 3.70 0.00 0.00 -0.30 -4.84 105.19 103.29 1djm n GLY 102 Ca 0.03 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1djm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djm n ALA 103 N -1.33 1.22 0.47 4.61 0.00 -0.29 -4.88 120.51 120.32 1djm n ALA 103 Ca -0.04 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1djm n ALA 103 Cb 0.53 -2.26 0.47 0.00 0.00 0.00 0.00 19.45 18.19 1djm n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1djm n SER 104 N -0.00 0.74 -3.60 0.00 3.41 -0.01 -4.86 113.62 109.30 1djm n SER 104 Ca 0.08 0.64 0.01 0.00 -0.26 0.00 0.00 58.87 59.34 1djm n SER 104 Cb 0.41 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1djm n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1djm s GLY 105 N -3.58 -0.40 -0.01 5.00 0.00 -1.21 -4.70 107.32 102.41 1djm s GLY 105 Ca 0.06 1.04 0.01 0.00 0.00 0.00 0.00 44.72 45.83 1djm s GLY 105 CO 0.47 0.25 -0.04 -0.47 0.00 0.00 0.00 173.10 173.31 1djm s TYR 106 N -2.25 0.38 -0.06 1.90 6.14 -1.26 -1.73 117.35 120.47 1djm s TYR 106 Ca 0.14 -0.07 0.00 0.00 0.64 0.00 0.00 57.07 57.78 1djm s TYR 106 Cb 0.04 -0.29 0.02 0.00 0.42 0.00 0.00 41.96 42.16 1djm s TYR 106 CO -0.05 -0.04 -0.05 0.08 0.64 0.00 0.00 175.55 176.14 1djm s VAL 107 N 0.13 0.64 0.14 3.14 1.01 0.35 -4.96 120.40 120.85 1djm s VAL 107 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1djm s VAL 107 Cb -0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1djm s VAL 107 CO -0.00 0.27 0.36 -0.69 0.00 0.00 0.00 175.10 175.03 1djm s VAL 108 N 1.28 5.20 0.73 2.92 1.01 -1.26 -0.82 120.40 129.46 1djm s VAL 108 Ca -0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1djm s VAL 108 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1djm s VAL 108 CO -0.02 0.03 1.22 -1.59 0.00 0.00 0.00 175.10 174.75 1djm s LYS 109 N -2.69 2.13 1.08 2.72 0.00 0.21 -4.37 119.74 118.81 1djm s LYS 109 Ca 0.40 1.82 -0.16 0.00 0.00 0.00 0.00 55.97 58.02 1djm s LYS 109 Cb -0.12 -1.83 0.23 0.00 0.00 0.00 0.00 37.83 36.11 1djm s LYS 109 CO 0.25 -1.86 1.16 -1.25 0.00 0.00 0.00 175.35 173.65 1djm s PRO 110 N -3.85 -0.22 -0.26 1.78 0.04 -1.26 -4.98 135.00 126.26 1djm s PRO 110 Ca 0.76 -0.00 -0.37 0.00 0.04 0.00 0.00 61.00 61.43 1djm s PRO 110 Cb -0.31 -1.71 0.15 0.00 0.04 0.00 0.00 34.50 32.68 1djm s PRO 110 CO 0.45 -3.05 1.32 -0.59 0.04 0.00 0.00 177.00 175.17 1djm s PHE 111 N -3.23 -0.05 0.30 0.56 -0.12 -1.26 -5.13 117.98 109.04 1djm s PHE 111 Ca 0.70 0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 57.55 1djm s PHE 111 Cb -0.11 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1djm s PHE 111 CO 0.55 -0.08 0.46 0.95 -0.05 0.00 0.00 175.22 177.05 1djm s THR 112 N -2.06 0.00 0.39 -4.49 -4.23 -1.26 -5.00 115.64 98.99 1djm s THR 112 Ca 0.11 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 1djm s THR 112 Cb -0.01 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.58 1djm s THR 112 CO -0.03 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.06 1djm h ALA 113 N 2.20 1.61 0.00 3.99 0.00 -1.97 0.39 119.26 125.47 1djm h ALA 113 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1djm h ALA 113 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1djm h ALA 113 CO 0.39 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1djm n ALA 114 N -2.47 1.30 -0.03 0.00 0.00 -1.26 -0.82 120.51 117.23 1djm n ALA 114 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1djm n ALA 114 Cb 0.10 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1djm n ALA 114 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1djm n THR 115 N -1.31 0.33 -0.12 0.00 5.66 -0.38 -4.64 114.28 113.82 1djm n THR 115 Ca 0.01 -0.17 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 1djm n THR 115 Cb 0.02 -0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 67.95 1djm n THR 115 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1djm h LEU 116 N 0.00 -1.44 -1.80 1.09 7.12 -0.27 -0.34 115.31 119.67 1djm h LEU 116 Ca -0.13 0.22 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1djm h LEU 116 Cb 1.25 0.63 -0.01 0.00 -0.53 0.00 0.00 40.66 42.00 1djm h LEU 116 CO -0.01 -0.37 0.08 1.05 -0.13 0.00 0.00 178.44 179.07 1djm h GLU 117 N -0.33 0.21 -0.14 1.25 -0.00 -1.24 0.12 114.58 114.45 1djm h GLU 117 Ca 0.13 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.36 59.34 1djm h GLU 117 Cb 0.59 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.29 1djm h GLU 117 CO -0.57 0.16 -0.46 1.49 -0.00 0.00 0.00 179.01 179.63 1djm h GLU 118 N 0.22 0.56 -0.21 1.06 4.81 -1.42 -0.60 114.58 118.99 1djm h GLU 118 Ca 0.06 -0.41 -0.12 0.00 -0.13 0.00 0.00 59.36 58.76 1djm h GLU 118 Cb 0.01 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1djm h GLU 118 CO -0.01 1.04 -0.37 0.87 -0.73 0.00 0.00 179.01 179.81 1djm h LYS 119 N 0.20 0.47 0.37 1.92 1.79 -0.17 0.20 116.57 121.35 1djm h LYS 119 Ca -0.02 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1djm h LYS 119 Cb 1.08 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 1djm h LYS 119 CO 0.10 0.77 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.74 1djm h LEU 120 N 0.40 -1.18 -1.47 2.94 3.38 -0.79 -1.78 115.31 116.80 1djm h LEU 120 Ca 0.04 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.20 1djm h LEU 120 Cb 0.82 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1djm h LEU 120 CO 0.07 -0.56 0.46 -1.13 0.09 0.00 0.00 178.44 177.36 1djm h ASN 121 N -0.83 0.55 -0.25 -0.43 -1.24 -0.57 0.19 115.58 113.00 1djm h ASN 121 Ca -0.03 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1djm h ASN 121 Cb 0.75 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 1djm h ASN 121 CO -0.10 0.34 0.17 0.11 -1.29 0.00 0.00 177.43 176.66 1djm h LYS 122 N 0.62 0.33 0.00 6.67 1.57 -0.70 -0.58 116.57 124.47 1djm h LYS 122 Ca 0.31 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1djm h LYS 122 Cb 0.41 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1djm h LYS 122 CO -0.10 0.22 -0.64 -0.84 -0.57 0.00 0.00 179.45 177.51 1djm h ILE 123 N 0.34 1.27 0.40 1.86 3.07 -0.22 -1.35 117.51 122.88 1djm h ILE 123 Ca 0.09 -2.37 -0.02 0.00 1.55 0.00 0.00 64.86 64.12 1djm h ILE 123 Cb -0.04 2.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1djm h ILE 123 CO -0.02 0.63 -0.19 -0.26 -1.05 0.00 0.00 178.15 177.26 1djm h PHE 124 N 0.00 -0.50 0.10 0.16 0.04 -0.53 -1.47 116.94 114.74 1djm h PHE 124 Ca -0.01 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1djm h PHE 124 Cb 1.30 0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.61 1djm h PHE 124 CO 0.00 -0.29 -0.05 0.93 -0.60 0.00 0.00 178.31 178.30 1djm h GLU 125 N -0.56 -0.13 0.20 1.51 5.08 -1.18 -1.67 114.58 117.82 1djm h GLU 125 Ca -0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1djm h GLU 125 Cb 0.42 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1djm h GLU 125 CO 0.09 0.23 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.01 1djm h LYS 126 N -0.52 -0.26 0.00 2.33 3.11 -1.21 -3.06 116.57 116.96 1djm h LYS 126 Ca -0.01 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1djm h LYS 126 Cb 0.43 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1djm h LYS 126 CO 0.02 -0.17 -0.04 -0.07 -2.81 0.00 0.00 179.45 176.38 1djm h LEU 127 N -0.64 0.00 0.00 5.20 3.38 -1.50 -3.46 115.31 118.29 1djm h LEU 127 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1djm h LEU 127 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1djm h LEU 127 CO 0.04 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1djm n GLY 128 N -0.67 0.47 0.00 0.83 0.00 -0.87 -5.03 105.19 99.92 1djm n GLY 128 Ca -0.02 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.19 1djm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35