#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy n SER 2 N 0.00 1.93 -4.40 1.61 7.64 -1.26 -4.92 113.62 114.22 2edy n SER 2 Ca 0.00 0.36 -0.58 0.00 1.01 0.00 0.00 58.87 59.67 2edy n SER 2 Cb 0.00 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.24 2edy n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2edy n SER 3 N -4.31 1.37 0.00 6.43 7.64 -1.26 -4.74 113.62 118.76 2edy n SER 3 Ca -0.47 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2edy n SER 3 Cb 0.82 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2edy n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edy n GLY 4 N 6.53 2.71 3.72 0.23 0.00 -1.26 -5.14 105.19 111.99 2edy n GLY 4 Ca 0.46 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 2edy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edy s SER 5 N 0.00 4.39 0.14 1.61 0.15 -1.26 -5.02 113.70 113.70 2edy s SER 5 Ca 0.00 2.53 0.05 0.00 0.70 0.00 0.00 55.95 59.23 2edy s SER 5 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2edy s SER 5 CO 0.00 -2.14 0.05 -0.94 1.20 0.00 0.00 173.24 171.41 2edy s SER 6 N -1.63 5.18 0.00 5.45 1.04 -1.26 -5.05 113.70 117.43 2edy s SER 6 Ca 0.80 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2edy s SER 6 Cb -0.34 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2edy s SER 6 CO 0.42 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2edy n GLY 7 N 0.07 -1.03 3.77 7.32 0.00 -1.26 -4.37 105.19 109.69 2edy n GLY 7 Ca -0.09 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.32 2edy n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 8 N -1.00 3.25 -0.21 1.61 0.04 -1.26 -4.87 135.00 132.56 2edy s PRO 8 Ca 0.00 1.57 0.13 0.00 0.04 0.00 0.00 61.00 62.74 2edy s PRO 8 Cb 0.00 -1.99 0.42 0.00 0.04 0.00 0.00 34.50 32.96 2edy s PRO 8 CO 0.00 -0.92 1.27 0.45 0.04 0.00 0.00 177.00 177.83 2edy n SER 9 N -1.50 2.12 -3.56 6.66 2.88 -1.26 -3.93 113.62 115.03 2edy n SER 9 Ca 0.11 -3.66 -0.06 0.00 -1.33 0.00 0.00 58.87 53.93 2edy n SER 9 Cb 0.51 -0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 63.37 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2edy s GLY 10 N -2.95 -0.51 0.54 0.46 0.00 -1.26 -4.90 107.32 98.70 2edy s GLY 10 Ca 0.38 1.61 -0.16 0.00 0.00 0.00 0.00 44.72 46.56 2edy s GLY 10 CO -0.03 2.68 1.01 -0.11 0.00 0.00 0.00 173.10 176.65 2edy s PHE 11 N 2.68 3.37 1.16 1.90 -0.71 -1.26 -4.72 117.98 120.41 2edy s PHE 11 Ca 0.02 1.46 -0.18 0.00 -1.04 0.00 0.00 56.93 57.19 2edy s PHE 11 Cb -0.13 -2.83 0.27 0.00 -1.21 0.00 0.00 43.02 39.12 2edy s PHE 11 CO -0.15 -0.56 1.11 -1.25 -1.34 0.00 0.00 175.22 173.02 2edy s PRO 12 N -4.20 -0.92 0.39 1.99 0.04 -1.26 -4.64 135.00 126.40 2edy s PRO 12 Ca 0.59 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.73 2edy s PRO 12 Cb -0.11 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2edy s PRO 12 CO 0.35 -3.53 0.21 -0.65 0.04 0.00 0.00 177.00 173.42 2edy s GLN 13 N -5.32 1.90 -1.49 4.56 -1.52 -1.15 -4.85 119.66 111.78 2edy s GLN 13 Ca 0.70 -2.15 -0.00 0.00 -1.95 0.00 0.00 55.36 51.96 2edy s GLN 13 Cb -0.11 -0.15 0.00 0.00 -0.22 0.00 0.00 33.01 32.53 2edy s GLN 13 CO 0.56 -0.60 0.04 0.09 -0.25 0.00 0.00 175.29 175.13 2edy n ASN 14 N -1.54 -5.17 -4.65 5.90 5.03 -1.26 -0.25 115.26 113.32 2edy n ASN 14 Ca 0.00 -0.03 -0.43 0.00 0.87 0.00 0.00 54.58 54.99 2edy n ASN 14 Cb 0.63 -4.23 -0.02 0.00 -1.02 0.00 0.00 39.78 35.14 2edy n ASN 14 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2edy s LEU 15 N -5.11 4.08 0.00 3.41 2.96 -1.26 -3.82 118.68 118.94 2edy s LEU 15 Ca 0.02 1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 55.16 2edy s LEU 15 Cb -0.01 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.21 2edy s LEU 15 CO 0.02 -0.81 0.99 0.00 -1.32 0.00 0.00 176.35 175.23 2edy n HIS 16 N 6.74 -1.09 -4.22 5.38 1.44 -1.19 -4.95 115.22 117.33 2edy n HIS 16 Ca 0.13 -1.05 -0.34 0.00 -2.01 0.00 0.00 57.72 54.45 2edy n HIS 16 Cb 0.46 0.51 -0.11 0.00 0.12 0.00 0.00 29.99 30.96 2edy n HIS 16 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2edy s VAL 17 N -2.09 4.32 -0.48 0.61 1.01 -1.26 -0.39 120.40 122.13 2edy s VAL 17 Ca 0.22 -0.20 0.23 0.00 0.00 0.00 0.00 61.98 62.23 2edy s VAL 17 Cb -0.02 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2edy s VAL 17 CO 0.04 0.48 1.12 1.07 0.00 0.00 0.00 175.10 177.81 2edy n THR 18 N 3.51 0.38 -2.68 3.92 5.66 -1.26 -4.74 114.28 119.06 2edy n THR 18 Ca -0.17 -0.36 -0.04 0.00 -3.05 0.00 0.00 64.05 60.43 2edy n THR 18 Cb 0.52 -0.10 0.04 0.00 -1.55 0.00 0.00 70.33 69.25 2edy n THR 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2edy n GLY 19 N 1.29 -1.53 3.53 1.09 0.00 -1.26 -5.06 105.19 103.25 2edy n GLY 19 Ca 0.02 1.09 -0.28 0.00 0.00 0.00 0.00 46.02 46.84 2edy n GLY 19 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2edy s LEU 20 N 0.61 0.83 0.10 0.99 2.34 -1.26 -3.27 118.68 119.02 2edy s LEU 20 Ca 0.25 1.30 -0.04 0.00 0.06 0.00 0.00 54.13 55.70 2edy s LEU 20 Cb 0.14 -3.23 -0.02 0.00 -0.56 0.00 0.00 46.19 42.52 2edy s LEU 20 CO -0.10 -4.02 0.10 -0.89 -1.06 0.00 0.00 176.35 170.38 2edy s THR 21 N -2.62 0.15 0.19 5.48 2.01 0.39 -4.77 115.64 116.47 2edy s THR 21 Ca 0.68 -1.60 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 2edy s THR 21 Cb -0.22 -1.65 0.12 0.00 0.01 0.00 0.00 72.50 70.76 2edy s THR 21 CO 0.62 -0.66 1.71 0.71 -0.69 0.00 0.00 174.62 176.31 2edy h THR 22 N 2.88 0.71 0.00 -0.82 1.35 -1.92 -3.24 112.91 111.86 2edy h THR 22 Ca -0.34 -0.08 -0.34 0.00 -0.55 0.00 0.00 66.41 65.10 2edy h THR 22 Cb 1.18 0.45 -0.06 0.00 -1.73 0.00 0.00 68.15 68.00 2edy h THR 22 CO 0.59 0.04 -2.30 -1.20 -0.25 0.00 0.00 175.52 172.40 2edy n SER 23 N -5.12 1.82 -4.92 5.36 7.64 -1.26 -2.18 113.62 114.96 2edy n SER 23 Ca 0.06 -0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.65 2edy n SER 23 Cb 0.25 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2edy s THR 24 N -2.46 2.96 -0.20 0.44 -4.23 -1.23 -0.39 115.64 110.54 2edy s THR 24 Ca -0.26 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 2edy s THR 24 Cb 0.07 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.96 2edy s THR 24 CO 0.58 -0.03 0.31 -0.89 -0.54 0.00 0.00 174.62 174.04 2edy s THR 25 N -2.40 -0.48 0.84 3.99 2.01 -1.10 0.15 115.64 118.66 2edy s THR 25 Ca 0.49 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 2edy s THR 25 Cb -0.06 -0.66 0.10 0.00 0.01 0.00 0.00 72.50 71.89 2edy s THR 25 CO 0.29 -0.07 1.10 -1.61 -0.69 0.00 0.00 174.62 173.65 2edy s GLU 26 N 2.45 1.69 0.16 4.92 2.02 -1.20 0.74 118.70 129.48 2edy s GLU 26 Ca 0.07 0.64 -0.08 0.00 0.02 0.00 0.00 54.97 55.62 2edy s GLU 26 Cb -0.14 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2edy s GLU 26 CO -0.13 -1.90 0.25 -0.51 0.02 0.00 0.00 175.26 173.00 2edy s LEU 27 N -5.95 1.08 -0.30 1.80 1.43 0.38 -4.20 118.68 112.92 2edy s LEU 27 Ca 0.62 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2edy s LEU 27 Cb -0.16 1.07 0.18 0.00 0.03 0.00 0.00 46.19 47.32 2edy s LEU 27 CO 0.55 -0.87 0.91 0.00 0.23 0.00 0.00 176.35 177.17 2edy s ALA 28 N -3.97 -3.28 0.35 4.21 0.00 0.48 -3.62 121.76 115.93 2edy s ALA 28 Ca 0.18 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.57 2edy s ALA 28 Cb 0.04 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 2edy s ALA 28 CO -0.00 -1.68 0.06 -2.67 0.00 0.00 0.00 175.76 171.46 2edy n TRP 29 N 5.35 0.50 -4.41 0.00 2.14 -0.35 -3.18 117.44 117.49 2edy n TRP 29 Ca 0.01 -1.96 -0.21 0.00 2.07 0.00 0.00 57.50 57.41 2edy n TRP 29 Cb 0.55 -0.13 -0.10 0.00 -0.81 0.00 0.00 31.31 30.81 2edy n TRP 29 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2edy s ASP 30 N -3.03 2.87 0.79 -0.67 1.11 0.66 -4.68 116.67 113.71 2edy s ASP 30 Ca 0.08 -1.11 -0.11 0.00 0.18 0.00 0.00 52.55 51.60 2edy s ASP 30 Cb 0.00 -0.19 0.06 0.00 1.07 0.00 0.00 42.92 43.87 2edy s ASP 30 CO 0.06 -0.22 1.09 -2.16 1.18 0.00 0.00 175.17 175.12 2edy s PRO 31 N -3.66 2.15 0.53 8.23 0.04 -1.26 -2.93 135.00 138.10 2edy s PRO 31 Ca 0.27 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 2edy s PRO 31 Cb 0.01 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2edy s PRO 31 CO 0.11 -1.71 1.14 -1.25 0.04 0.00 0.00 177.00 175.33 2edy s PRO 32 N -4.91 3.41 0.33 0.56 0.04 -1.26 -4.36 135.00 128.82 2edy s PRO 32 Ca 0.61 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 2edy s PRO 32 Cb -0.17 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 2edy s PRO 32 CO 0.56 -0.80 1.49 0.14 0.04 0.00 0.00 177.00 178.42 2edy s VAL 33 N -1.74 2.21 0.64 -0.36 -7.23 -1.26 -4.78 120.40 107.89 2edy s VAL 33 Ca 0.71 0.20 0.37 0.00 -1.81 0.00 0.00 61.98 61.45 2edy s VAL 33 Cb -0.25 -3.13 0.39 0.00 0.56 0.00 0.00 36.38 33.96 2edy s VAL 33 CO 0.28 0.04 2.22 0.17 -0.31 0.00 0.00 175.10 177.50 2edy h LEU 34 N 3.79 0.00 -0.95 1.32 8.10 -1.93 -0.22 115.31 125.43 2edy h LEU 34 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.45 2edy h LEU 34 Cb 1.23 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.42 2edy h LEU 34 CO 0.70 0.00 0.14 0.00 -4.11 0.00 0.00 178.44 175.17 2edy h ALA 35 N 1.82 1.15 0.08 0.17 0.00 -2.04 -3.25 119.26 117.19 2edy h ALA 35 Ca 0.02 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 2edy h ALA 35 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2edy h ALA 35 CO -0.00 0.58 -2.09 0.39 0.00 0.00 0.00 179.25 178.13 2edy n GLU 36 N -4.26 0.71 -1.50 0.00 -0.58 -0.37 -4.92 120.64 109.71 2edy n GLU 36 Ca 0.04 0.26 -0.63 0.00 -0.42 0.00 0.00 57.16 56.41 2edy n GLU 36 Cb 0.23 -1.65 -0.11 0.00 -0.57 0.00 0.00 31.44 29.35 2edy n GLU 36 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2edy n ARG 37 N -3.54 0.00 0.11 3.49 1.74 -0.24 -4.45 116.66 113.78 2edy n ARG 37 Ca -0.37 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.47 2edy n ARG 37 Cb 0.99 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.82 2edy n ARG 37 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2edy h ASN 38 N 6.46 0.74 0.00 0.55 2.35 -1.89 -3.48 115.58 120.31 2edy h ASN 38 Ca -0.29 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.53 2edy h ASN 38 Cb 1.35 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2edy h ASN 38 CO 1.00 1.74 0.00 0.61 -1.65 0.00 0.00 177.43 179.13 2edy n GLY 39 N 1.78 2.70 3.21 2.83 0.00 -1.26 -5.12 105.19 109.32 2edy n GLY 39 Ca -0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2edy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edy s ARG 40 N 2.08 0.99 0.04 1.61 0.52 -1.26 -5.15 118.95 117.77 2edy s ARG 40 Ca 0.00 -1.44 0.01 0.00 -0.52 0.00 0.00 55.73 53.77 2edy s ARG 40 Cb 0.00 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.16 2edy s ARG 40 CO 0.00 -0.07 0.14 0.42 0.02 0.00 0.00 175.30 175.81 2edy s ILE 41 N -3.62 4.99 0.00 1.52 -1.09 -1.26 -4.28 121.20 117.47 2edy s ILE 41 Ca 0.18 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 2edy s ILE 41 Cb 0.05 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 2edy s ILE 41 CO -0.00 0.20 0.00 2.30 -1.23 0.00 0.00 174.94 176.21 2edy n ILE 42 N 0.61 0.00 -3.62 2.92 -5.35 -0.91 -5.01 119.36 108.01 2edy n ILE 42 Ca -0.09 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2edy n ILE 42 Cb 0.52 -0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 37.82 2edy n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2edy s SER 43 N -2.31 -0.08 0.13 7.28 0.15 -1.26 -4.76 113.70 112.85 2edy s SER 43 Ca 0.00 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.60 2edy s SER 43 Cb 0.00 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2edy s SER 43 CO 0.00 -0.32 -0.16 -0.31 1.20 0.00 0.00 173.24 173.65 2edy s TYR 44 N -2.48 1.57 -0.24 3.44 1.51 -1.11 -1.55 117.35 118.50 2edy s TYR 44 Ca 0.13 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 2edy s TYR 44 Cb 0.03 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2edy s TYR 44 CO -0.04 0.21 -0.08 0.99 -1.11 0.00 0.00 175.55 175.52 2edy s THR 45 N -1.99 2.81 -0.61 -0.71 2.01 -1.01 -2.78 115.64 113.37 2edy s THR 45 Ca 0.11 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.95 2edy s THR 45 Cb -0.06 -2.38 0.09 0.00 0.01 0.00 0.00 72.50 70.16 2edy s THR 45 CO 0.04 0.27 0.79 -0.69 -0.69 0.00 0.00 174.62 174.35 2edy s VAL 46 N 1.34 4.64 -0.34 3.82 1.01 -0.64 -3.02 120.40 127.21 2edy s VAL 46 Ca 0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2edy s VAL 46 Cb -0.16 -4.54 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 2edy s VAL 46 CO -0.05 -1.21 0.62 -0.69 0.00 0.00 0.00 175.10 173.77 2edy s VAL 47 N 3.18 4.91 -0.06 2.92 1.01 -0.82 -1.46 120.40 130.07 2edy s VAL 47 Ca 0.16 0.64 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2edy s VAL 47 Cb -0.21 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2edy s VAL 47 CO 0.08 -0.26 -0.22 0.72 0.00 0.00 0.00 175.10 175.42 2edy s PHE 48 N 2.66 2.26 -0.16 5.22 -0.71 0.21 -0.04 117.98 127.42 2edy s PHE 48 Ca 0.24 -0.74 -0.14 0.00 -1.04 0.00 0.00 56.93 55.25 2edy s PHE 48 Cb -0.15 -1.50 0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2edy s PHE 48 CO 0.14 -0.26 0.42 0.50 -1.34 0.00 0.00 175.22 174.68 2edy s ARG 49 N 0.05 0.48 -0.31 1.99 3.52 -0.11 -1.72 118.95 122.84 2edy s ARG 49 Ca -0.08 0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 2edy s ARG 49 Cb -0.14 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 2edy s ARG 49 CO 0.05 -0.07 1.45 0.34 -0.81 0.00 0.00 175.30 176.26 2edy s ASP 50 N 0.34 6.45 0.00 -2.12 2.15 -1.21 0.69 116.67 122.97 2edy s ASP 50 Ca -0.01 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.19 2edy s ASP 50 Cb -0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2edy s ASP 50 CO -0.01 -1.26 0.99 2.30 -0.17 0.00 0.00 175.17 177.02 2edy n ILE 51 N 6.57 1.97 0.90 4.11 -5.35 -1.20 0.10 119.36 126.46 2edy n ILE 51 Ca 0.17 0.50 0.09 0.00 -0.27 0.00 0.00 62.75 63.24 2edy n ILE 51 Cb 0.47 -1.50 -0.07 0.00 -1.74 0.00 0.00 39.64 36.80 2edy n ILE 51 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2edy n ASN 52 N -1.49 1.24 -4.30 7.28 3.02 -1.26 -4.99 115.26 114.76 2edy n ASN 52 Ca 0.00 -1.12 -0.16 0.00 -0.03 0.00 0.00 54.58 53.27 2edy n ASN 52 Cb 0.00 0.82 -0.10 0.00 -0.61 0.00 0.00 39.78 39.89 2edy n ASN 52 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2edy s SER 53 N -2.62 1.28 -0.10 6.41 0.01 0.12 -5.04 113.70 113.77 2edy s SER 53 Ca 0.10 -1.32 0.15 0.00 1.31 0.00 0.00 55.95 56.19 2edy s SER 53 Cb 0.15 0.13 0.59 0.00 0.21 0.00 0.00 66.02 67.10 2edy s SER 53 CO 0.69 -0.67 1.47 0.00 0.41 0.00 0.00 173.24 175.14 2edy n GLN 54 N -0.41 3.29 -2.70 12.44 3.00 -1.26 -4.46 117.38 127.27 2edy n GLN 54 Ca -0.02 -2.33 -0.43 0.00 -0.01 0.00 0.00 57.00 54.20 2edy n GLN 54 Cb 0.65 -1.80 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2edy s GLN 55 N -1.83 3.65 -0.10 -1.09 -0.44 -1.26 -5.02 119.66 113.56 2edy s GLN 55 Ca 0.42 0.40 -0.01 0.00 -2.50 0.00 0.00 55.36 53.67 2edy s GLN 55 Cb 0.27 -3.91 -0.03 0.00 -1.64 0.00 0.00 33.01 27.70 2edy s GLN 55 CO 0.20 -1.31 -0.06 -2.00 0.50 0.00 0.00 175.29 172.62 2edy s GLU 56 N 4.14 3.05 0.05 1.67 2.12 -1.26 -3.36 118.70 125.10 2edy s GLU 56 Ca 0.43 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.14 2edy s GLU 56 Cb -0.08 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2edy s GLU 56 CO 0.29 0.54 0.19 -0.51 -0.54 0.00 0.00 175.26 175.23 2edy s LEU 57 N -0.45 1.38 0.10 2.70 1.43 -0.70 -5.03 118.68 118.11 2edy s LEU 57 Ca 0.07 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2edy s LEU 57 Cb -0.12 0.98 -0.03 0.00 0.03 0.00 0.00 46.19 47.05 2edy s LEU 57 CO 0.02 -0.60 0.09 -1.10 0.23 0.00 0.00 176.35 174.99 2edy s GLN 58 N -2.91 0.85 0.25 1.70 -0.21 -1.26 -0.62 119.66 117.47 2edy s GLN 58 Ca -0.02 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.12 2edy s GLN 58 Cb 0.01 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 2edy s GLN 58 CO -0.06 -0.24 0.23 -0.80 -2.12 0.00 0.00 175.29 172.30 2edy s ASN 59 N -2.96 0.61 -0.07 5.90 0.02 -0.54 -4.95 114.94 112.95 2edy s ASN 59 Ca 0.14 -1.46 -0.05 0.00 -1.02 0.00 0.00 52.86 50.47 2edy s ASN 59 Cb 0.06 0.47 0.02 0.00 0.02 0.00 0.00 41.25 41.83 2edy s ASN 59 CO -0.05 -0.96 0.18 -0.63 0.02 0.00 0.00 177.10 175.66 2edy s ILE 60 N -3.86 -0.01 -0.08 0.60 1.01 -1.26 -1.62 121.20 115.98 2edy s ILE 60 Ca 0.37 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.88 2edy s ILE 60 Cb 0.04 -0.26 0.04 0.00 0.01 0.00 0.00 42.46 42.29 2edy s ILE 60 CO 0.17 0.02 0.45 0.28 0.00 0.00 0.00 174.94 175.86 2edy s THR 61 N 0.43 0.02 -1.95 2.92 -1.32 -1.12 -5.02 115.64 109.61 2edy s THR 61 Ca -0.03 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2edy s THR 61 Cb -0.04 -0.72 0.01 0.00 -1.51 0.00 0.00 72.50 70.24 2edy s THR 61 CO -0.02 -0.11 0.99 0.35 -2.21 0.00 0.00 174.62 173.62 2edy n THR 62 N 1.73 0.02 -4.33 5.08 -2.24 -1.26 -2.76 114.28 110.52 2edy n THR 62 Ca -0.18 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 2edy n THR 62 Cb 0.56 -0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 2edy n THR 62 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2edy s ASP 63 N -0.95 4.30 -0.01 3.42 1.01 -1.26 -4.93 116.67 118.25 2edy s ASP 63 Ca 0.01 -0.79 0.01 0.00 0.71 0.00 0.00 52.55 52.49 2edy s ASP 63 Cb 0.01 -0.68 0.04 0.00 1.01 0.00 0.00 42.92 43.30 2edy s ASP 63 CO 0.01 -0.05 0.73 0.35 0.21 0.00 0.00 175.17 176.41 2edy n THR 64 N -0.87 0.12 -4.21 -1.27 -2.24 -1.26 -4.69 114.28 99.86 2edy n THR 64 Ca -0.06 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 2edy n THR 64 Cb 0.60 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 2edy n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s ARG 65 N -1.39 1.58 0.03 -0.78 1.70 -1.26 -1.21 118.95 117.61 2edy s ARG 65 Ca 0.03 -1.81 -0.29 0.00 -0.47 0.00 0.00 55.73 53.19 2edy s ARG 65 Cb 0.02 0.33 0.10 0.00 -0.57 0.00 0.00 34.95 34.83 2edy s ARG 65 CO 0.01 -0.58 1.16 0.12 -1.08 0.00 0.00 175.30 174.93 2edy s PHE 66 N -3.66 -0.09 -0.19 5.89 5.36 -1.24 -4.87 117.98 119.18 2edy s PHE 66 Ca 0.38 -0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.23 2edy s PHE 66 Cb 0.03 0.57 0.07 0.00 -0.34 0.00 0.00 43.02 43.35 2edy s PHE 66 CO 0.20 -0.46 0.08 0.99 -1.46 0.00 0.00 175.22 174.58 2edy s THR 67 N -2.74 0.06 1.26 0.12 2.01 -1.26 0.14 115.64 115.24 2edy s THR 67 Ca 0.13 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.62 2edy s THR 67 Cb 0.02 -0.74 0.32 0.00 0.01 0.00 0.00 72.50 72.11 2edy s THR 67 CO -0.02 -0.33 0.99 -0.76 -0.69 0.00 0.00 174.62 173.81 2edy s LEU 68 N 2.07 0.08 0.23 4.42 2.01 0.23 -4.77 118.68 122.94 2edy s LEU 68 Ca 0.02 1.20 -0.22 0.00 0.01 0.00 0.00 54.13 55.15 2edy s LEU 68 Cb -0.16 -2.92 0.04 0.00 0.01 0.00 0.00 46.19 43.16 2edy s LEU 68 CO -0.13 -4.63 0.66 0.42 1.01 0.00 0.00 176.35 173.69 2edy s THR 69 N -2.44 0.00 -1.20 5.49 -4.23 -1.26 -2.71 115.64 109.29 2edy s THR 69 Ca 0.68 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2edy s THR 69 Cb -0.20 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.05 2edy s THR 69 CO 0.62 -0.00 1.03 0.61 -0.54 0.00 0.00 174.62 176.33 2edy n GLY 70 N -0.42 -0.38 3.60 3.99 0.00 -1.21 -4.93 105.19 105.84 2edy n GLY 70 Ca -0.09 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2edy n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edy s LEU 71 N -6.50 2.95 -0.01 0.99 1.43 0.47 -5.06 118.68 112.96 2edy s LEU 71 Ca 0.24 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 2edy s LEU 71 Cb -0.11 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 2edy s LEU 71 CO 0.69 -0.13 0.40 -0.75 0.23 0.00 0.00 176.35 176.79 2edy s LYS 72 N -3.67 3.92 0.46 1.70 2.20 -1.26 -4.23 119.74 118.87 2edy s LYS 72 Ca 0.33 0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 56.11 2edy s LYS 72 Cb -0.02 -3.23 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2edy s LYS 72 CO 0.19 0.67 1.16 -1.25 -0.36 0.00 0.00 175.35 175.76 2edy s PRO 73 N -1.01 3.76 -1.30 4.03 0.04 -0.93 -3.55 135.00 136.03 2edy s PRO 73 Ca 0.24 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 2edy s PRO 73 Cb -0.17 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2edy s PRO 73 CO 0.13 -0.55 1.02 -3.47 0.04 0.00 0.00 177.00 174.17 2edy n ASP 74 N -0.49 -3.69 -3.76 6.66 2.03 -1.16 -4.88 116.55 111.26 2edy n ASP 74 Ca 0.07 -0.63 -0.14 0.00 0.52 0.00 0.00 54.79 54.61 2edy n ASP 74 Cb 0.48 -4.84 -0.15 0.00 -0.72 0.00 0.00 41.12 35.90 2edy n ASP 74 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2edy s THR 75 N -3.38 -0.05 0.13 5.18 2.01 -1.23 -4.96 115.64 113.34 2edy s THR 75 Ca 0.27 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.13 2edy s THR 75 Cb -0.12 -0.21 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 2edy s THR 75 CO 0.75 0.07 1.49 -0.89 -0.69 0.00 0.00 174.62 175.36 2edy s THR 76 N 1.10 2.97 -0.25 -0.82 2.01 -1.26 -2.45 115.64 116.92 2edy s THR 76 Ca -0.09 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2edy s THR 76 Cb -0.11 -3.43 0.07 0.00 0.01 0.00 0.00 72.50 69.03 2edy s THR 76 CO -0.05 0.05 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.57 2edy s TYR 77 N 1.27 2.62 -0.61 4.92 2.02 -1.19 -3.27 117.35 123.11 2edy s TYR 77 Ca 0.68 -1.96 -0.26 0.00 -0.37 0.00 0.00 57.07 55.15 2edy s TYR 77 Cb -0.40 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2edy s TYR 77 CO 0.31 -0.81 2.04 0.34 -1.57 0.00 0.00 175.55 175.85 2edy s ASP 78 N 1.32 4.97 -0.13 2.29 -1.08 0.22 -2.01 116.67 122.24 2edy s ASP 78 Ca -0.04 0.44 -0.02 0.00 -0.52 0.00 0.00 52.55 52.41 2edy s ASP 78 Cb -0.19 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2edy s ASP 78 CO -0.07 -2.61 -0.04 -0.63 0.52 0.00 0.00 175.17 172.34 2edy s ILE 79 N 10.26 3.88 0.22 4.11 1.01 -1.26 -0.94 121.20 138.49 2edy s ILE 79 Ca 0.77 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 61.08 2edy s ILE 79 Cb -0.13 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2edy s ILE 79 CO 0.20 0.53 0.13 2.29 0.00 0.00 0.00 174.94 178.09 2edy n LYS 80 N 3.11 0.47 -3.76 2.79 2.85 0.94 -1.11 118.16 123.45 2edy n LYS 80 Ca -0.18 -2.03 -0.10 0.00 -1.05 0.00 0.00 58.31 54.96 2edy n LYS 80 Cb 0.53 1.39 -0.04 0.00 -0.65 0.00 0.00 35.03 36.25 2edy n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2edy s VAL 81 N -2.64 0.04 -0.28 0.58 0.11 -1.26 -1.95 120.40 115.00 2edy s VAL 81 Ca 0.18 -0.86 -0.18 0.00 -2.93 0.00 0.00 61.98 58.19 2edy s VAL 81 Cb 0.01 -1.57 0.08 0.00 -1.53 0.00 0.00 36.38 33.37 2edy s VAL 81 CO 0.13 -0.17 0.73 0.00 -3.33 0.00 0.00 175.10 172.45 2edy s ARG 82 N -3.88 0.71 0.50 1.54 1.70 -1.17 0.58 118.95 118.93 2edy s ARG 82 Ca 0.10 1.12 -0.20 0.00 -0.47 0.00 0.00 55.73 56.28 2edy s ARG 82 Cb 0.00 0.20 -0.08 0.00 -0.57 0.00 0.00 34.95 34.50 2edy s ARG 82 CO -0.03 -0.13 1.04 0.00 -1.08 0.00 0.00 175.30 175.09 2edy s ALA 83 N 1.29 2.86 0.09 7.88 0.00 -1.26 -2.40 121.76 130.23 2edy s ALA 83 Ca -0.07 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.55 2edy s ALA 83 Cb -0.05 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2edy s ALA 83 CO -0.14 -0.36 -0.21 -1.58 0.00 0.00 0.00 175.76 173.47 2edy s TRP 84 N -2.03 1.82 0.44 0.00 0.52 -0.60 -3.64 118.94 115.45 2edy s TRP 84 Ca 0.67 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.42 2edy s TRP 84 Cb -0.16 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 2edy s TRP 84 CO 0.22 0.19 0.04 0.95 0.02 0.00 0.00 176.95 178.36 2edy s THR 85 N -1.10 1.29 0.32 2.01 -4.23 -0.02 -2.15 115.64 111.77 2edy s THR 85 Ca 0.07 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.95 2edy s THR 85 Cb -0.10 -2.52 0.38 0.00 1.34 0.00 0.00 72.50 71.60 2edy s THR 85 CO 0.04 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 177.02 2edy h SER 86 N 1.66 0.00 0.00 3.99 4.64 -1.96 -2.88 113.55 119.01 2edy h SER 86 Ca -0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 2edy h SER 86 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2edy h SER 86 CO 0.72 0.00 -0.58 0.11 -0.87 0.00 0.00 176.83 176.21 2edy h LYS 87 N 0.00 0.00 0.00 4.77 6.56 -1.95 -3.51 116.57 122.44 2edy h LYS 87 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2edy h LYS 87 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2edy h LYS 87 CO 0.00 0.76 0.00 0.41 -2.06 0.00 0.00 179.45 178.56 2edy n GLY 88 N 1.56 1.10 3.79 3.86 0.00 -1.09 -4.87 105.19 109.53 2edy n GLY 88 Ca -0.18 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2edy n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edy s SER 89 N 2.00 4.47 0.00 1.61 0.15 -1.26 -0.84 113.70 119.82 2edy s SER 89 Ca 0.00 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2edy s SER 89 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 2edy s SER 89 CO 0.00 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2edy n GLY 90 N -1.37 5.46 3.63 9.45 0.00 -1.24 -4.13 105.19 116.99 2edy n GLY 90 Ca -0.03 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 2edy n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 91 N 4.43 -0.46 -0.19 1.61 0.04 -1.25 -5.00 135.00 134.17 2edy s PRO 91 Ca 0.00 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.26 2edy s PRO 91 Cb 0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.90 2edy s PRO 91 CO 0.00 -3.26 -0.18 -0.51 0.04 0.00 0.00 177.00 173.09 2edy s LEU 92 N -6.72 2.36 0.76 -3.56 1.43 -1.26 -4.54 118.68 107.15 2edy s LEU 92 Ca 0.68 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2edy s LEU 92 Cb -0.14 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 2edy s LEU 92 CO 0.57 -0.03 0.69 -1.54 0.23 0.00 0.00 176.35 176.27 2edy n SER 93 N 4.60 -0.67 -4.62 2.29 3.41 0.20 -4.86 113.62 113.97 2edy n SER 93 Ca -0.20 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2edy n SER 93 Cb 0.49 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.12 2edy n SER 93 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2edy s PRO 94 N -3.17 3.68 1.01 4.33 0.04 -1.26 -4.34 135.00 135.29 2edy s PRO 94 Ca 0.67 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 2edy s PRO 94 Cb -0.32 -4.07 -0.10 0.00 0.04 0.00 0.00 34.50 30.05 2edy s PRO 94 CO 0.57 -1.43 -0.70 -1.13 0.04 0.00 0.00 177.00 174.35 2edy n SER 95 N 8.86 -4.10 -0.02 6.66 3.41 -1.26 -4.87 113.62 122.30 2edy n SER 95 Ca 0.19 0.12 -0.01 0.00 -0.26 0.00 0.00 58.87 58.91 2edy n SER 95 Cb 0.46 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2edy n ILE 96 N -3.19 0.23 -3.31 -1.33 -5.35 -0.27 -4.92 119.36 101.22 2edy n ILE 96 Ca -0.00 -0.15 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 2edy n ILE 96 Cb 0.62 -0.82 0.08 0.00 -1.74 0.00 0.00 39.64 37.77 2edy n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2edy n GLN 97 N -2.10 -6.12 -2.09 6.28 6.02 -1.19 -4.90 117.38 113.28 2edy n GLN 97 Ca -0.05 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 2edy n GLN 97 Cb 0.58 -5.47 -0.03 0.00 1.02 0.00 0.00 30.24 26.34 2edy n GLN 97 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2edy s SER 98 N -3.99 5.84 -0.37 1.08 0.15 -0.85 -4.13 113.70 111.43 2edy s SER 98 Ca 0.12 0.95 -0.29 0.00 0.70 0.00 0.00 55.95 57.43 2edy s SER 98 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2edy s SER 98 CO 0.64 -1.81 1.45 -0.60 1.20 0.00 0.00 173.24 174.13 2edy s ARG 99 N 5.83 3.62 0.73 5.44 3.52 -1.26 -3.17 118.95 133.66 2edy s ARG 99 Ca 0.72 1.09 -0.17 0.00 -0.13 0.00 0.00 55.73 57.24 2edy s ARG 99 Cb -0.18 -4.02 -0.13 0.00 -1.56 0.00 0.00 34.95 29.05 2edy s ARG 99 CO 0.30 -1.51 -0.31 0.25 -0.81 0.00 0.00 175.30 173.22 2edy n THR 100 N 6.92 0.20 -2.06 4.11 -2.24 -1.03 -4.76 114.28 115.42 2edy n THR 100 Ca 0.17 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 2edy n THR 100 Cb 0.47 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 2edy n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edy s MET 101 N -1.64 4.31 -0.67 -0.78 0.00 -1.22 -2.96 119.30 116.33 2edy s MET 101 Ca 0.51 2.27 -0.26 0.00 0.00 0.00 0.00 55.69 58.21 2edy s MET 101 Cb -0.35 -3.07 -0.03 0.00 0.00 0.00 0.00 34.83 31.38 2edy s MET 101 CO 0.72 -0.27 1.88 -1.25 0.00 0.00 0.00 175.02 176.09 2edy s PRO 102 N -1.50 2.61 0.00 3.16 0.04 -1.26 -3.50 135.00 134.55 2edy s PRO 102 Ca 0.52 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2edy s PRO 102 Cb -0.41 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2edy s PRO 102 CO 0.52 -2.86 0.15 1.55 0.04 0.00 0.00 177.00 176.40