#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 1.45 -0.11 1.61 7.64 -1.26 -4.77 113.62 118.18 2edy n SER 2 Ca 0.00 -0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.63 2edy n SER 2 Cb 0.00 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 61.86 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 12.39 1.89 -3.15 6.43 7.64 -1.26 -5.00 113.62 132.57 2edy n SER 3 Ca 0.50 0.41 0.05 0.00 1.01 0.00 0.00 58.87 60.84 2edy n SER 3 Cb 0.27 -0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 62.55 2edy n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2edy s GLY 4 N -4.99 -0.47 -1.10 0.23 0.00 -1.26 -4.86 107.32 94.87 2edy s GLY 4 Ca -0.31 2.60 -0.12 0.00 0.00 0.00 0.00 44.72 46.89 2edy s GLY 4 CO 0.52 3.78 1.18 -1.35 0.00 0.00 0.00 173.10 177.23 2edy s SER 5 N 2.94 7.13 -0.74 1.64 1.04 -1.26 -4.63 113.70 119.82 2edy s SER 5 Ca 0.03 -3.18 -0.08 0.00 0.48 0.00 0.00 55.95 53.21 2edy s SER 5 Cb -0.10 -2.29 0.08 0.00 0.10 0.00 0.00 66.02 63.81 2edy s SER 5 CO -0.13 -0.53 0.23 -1.20 0.98 0.00 0.00 173.24 172.59 2edy n SER 6 N 4.10 -1.67 -1.77 7.02 7.64 -1.26 -3.31 113.62 124.36 2edy n SER 6 Ca 0.27 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2edy n SER 6 Cb 0.42 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2edy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2edy n GLY 7 N -0.75 0.98 3.77 0.23 0.00 -1.24 -4.29 105.19 103.90 2edy n GLY 7 Ca 0.03 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.38 3.49 -0.35 1.61 0.04 -1.25 -4.87 135.00 132.30 2edy s PRO 8 Ca 0.00 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2edy s PRO 8 Cb 0.00 -2.14 0.57 0.00 0.04 0.00 0.00 34.50 32.96 2edy s PRO 8 CO 0.00 -0.75 1.63 0.45 0.04 0.00 0.00 177.00 178.37 2edy n SER 9 N -1.02 2.92 -3.95 6.66 2.88 -1.26 -3.80 113.62 116.05 2edy n SER 9 Ca 0.10 -3.73 -0.10 0.00 -1.33 0.00 0.00 58.87 53.81 2edy n SER 9 Cb 0.50 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 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 -2.10 0.46 0.12 0.46 0.00 -1.26 -4.94 107.32 100.05 2edy s GLY 10 Ca 0.49 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 44.43 2edy s GLY 10 CO 0.04 -0.76 -0.14 -0.11 0.00 0.00 0.00 173.10 172.12 2edy s PHE 11 N -3.97 1.38 0.97 1.90 -0.71 -1.26 -4.43 117.98 111.87 2edy s PHE 11 Ca 0.18 -0.56 -0.12 0.00 -1.04 0.00 0.00 56.93 55.38 2edy s PHE 11 Cb 0.02 -0.72 0.17 0.00 -1.21 0.00 0.00 43.02 41.28 2edy s PHE 11 CO 0.01 0.14 1.09 -1.25 -1.34 0.00 0.00 175.22 173.87 2edy s PRO 12 N -2.68 0.62 0.45 1.99 0.04 -1.26 -4.62 135.00 129.54 2edy s PRO 12 Ca 0.09 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.75 2edy s PRO 12 Cb -0.05 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2edy s PRO 12 CO 0.03 -2.62 0.09 -0.65 0.04 0.00 0.00 177.00 173.89 2edy s GLN 13 N -4.96 2.04 -1.41 4.56 -1.52 -1.16 -4.81 119.66 112.41 2edy s GLN 13 Ca 0.65 -2.28 -0.03 0.00 -1.95 0.00 0.00 55.36 51.75 2edy s GLN 13 Cb -0.18 -0.92 0.00 0.00 -0.22 0.00 0.00 33.01 31.69 2edy s GLN 13 CO 0.57 -0.46 0.37 0.09 -0.25 0.00 0.00 175.29 175.62 2edy n ASN 14 N -1.34 -5.45 -4.57 5.90 5.03 -1.26 -0.93 115.26 112.64 2edy n ASN 14 Ca -0.11 -0.18 -0.42 0.00 0.87 0.00 0.00 54.58 54.74 2edy n ASN 14 Cb 0.66 -4.36 -0.03 0.00 -1.02 0.00 0.00 39.78 35.03 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 -5.65 3.50 0.00 3.41 2.96 -1.26 -3.81 118.68 117.83 2edy s LEU 15 Ca 0.18 0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2edy s LEU 15 Cb -0.08 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.57 2edy s LEU 15 CO 0.23 -1.49 0.45 0.00 -1.32 0.00 0.00 176.35 174.22 2edy n HIS 16 N 8.42 -1.65 -4.13 5.38 1.44 -1.17 -4.87 115.22 118.64 2edy n HIS 16 Ca 0.07 -1.26 -0.35 0.00 -2.01 0.00 0.00 57.72 54.17 2edy n HIS 16 Cb 0.49 0.52 -0.08 0.00 0.12 0.00 0.00 29.99 31.04 2edy n HIS 16 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2edy s VAL 17 N -2.50 4.84 -1.29 0.61 0.11 -1.26 -0.68 120.40 120.23 2edy s VAL 17 Ca 0.12 -0.14 0.15 0.00 -2.93 0.00 0.00 61.98 59.18 2edy s VAL 17 Cb -0.02 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2edy s VAL 17 CO 0.09 0.53 0.79 1.07 -3.33 0.00 0.00 175.10 174.25 2edy n THR 18 N 1.80 0.00 0.00 5.04 5.66 -1.26 -4.87 114.28 120.65 2edy n THR 18 Ca -0.17 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2edy n THR 18 Cb 0.54 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 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 1.12 -1.96 3.52 1.09 0.00 -1.26 -5.05 105.19 102.65 2edy n GLY 19 Ca 0.06 0.92 -0.29 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.57 0.01 0.99 0.05 -1.26 -3.23 118.68 115.80 2edy s LEU 20 Ca 0.00 1.08 -0.08 0.00 0.05 0.00 0.00 54.13 55.18 2edy s LEU 20 Cb 0.00 -2.92 0.00 0.00 -2.05 0.00 0.00 46.19 41.22 2edy s LEU 20 CO 0.00 -4.17 0.16 -0.89 -0.55 0.00 0.00 176.35 170.90 2edy s THR 21 N -2.68 0.09 0.32 5.48 2.01 0.50 -4.77 115.64 116.59 2edy s THR 21 Ca 0.68 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 62.03 2edy s THR 21 Cb -0.18 -0.60 0.32 0.00 0.01 0.00 0.00 72.50 72.05 2edy s THR 21 CO 0.60 -0.41 1.67 0.71 -0.69 0.00 0.00 174.62 176.49 2edy h THR 22 N 3.99 0.35 0.00 -0.82 1.35 -1.91 -3.09 112.91 112.79 2edy h THR 22 Ca -0.31 -0.12 -0.31 0.00 -0.55 0.00 0.00 66.41 65.12 2edy h THR 22 Cb 1.19 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 2edy h THR 22 CO 0.43 0.06 -2.09 -1.20 -0.25 0.00 0.00 175.52 172.48 2edy n SER 23 N -5.06 1.77 -5.00 5.36 7.64 -1.26 -1.89 113.62 115.17 2edy n SER 23 Ca 0.28 0.13 -0.18 0.00 1.01 0.00 0.00 58.87 60.11 2edy n SER 23 Cb 0.86 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.36 3.22 -0.12 0.44 -4.23 -1.17 -0.36 115.64 111.06 2edy s THR 24 Ca -0.27 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2edy s THR 24 Cb 0.09 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.90 2edy s THR 24 CO 0.37 -0.04 0.24 -0.89 -0.54 0.00 0.00 174.62 173.76 2edy s THR 25 N -2.34 -0.34 0.66 3.99 2.01 -0.99 0.19 115.64 118.81 2edy s THR 25 Ca 0.53 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.71 2edy s THR 25 Cb -0.10 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.01 2edy s THR 25 CO 0.33 0.12 1.03 -1.61 -0.69 0.00 0.00 174.62 173.79 2edy s GLU 26 N 2.25 2.96 0.12 4.92 2.02 -1.20 0.16 118.70 129.94 2edy s GLU 26 Ca 0.00 0.35 -0.07 0.00 0.02 0.00 0.00 54.97 55.28 2edy s GLU 26 Cb -0.12 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 2edy s GLU 26 CO -0.08 -0.88 0.18 -0.51 0.02 0.00 0.00 175.26 174.00 2edy s LEU 27 N -5.22 1.41 -0.30 1.80 1.43 0.31 -4.12 118.68 113.99 2edy s LEU 27 Ca 0.56 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2edy s LEU 27 Cb -0.11 0.89 0.18 0.00 0.03 0.00 0.00 46.19 47.19 2edy s LEU 27 CO 0.50 -0.78 0.80 0.00 0.23 0.00 0.00 176.35 177.10 2edy s ALA 28 N -3.94 -2.81 0.40 4.21 0.00 0.14 -3.64 121.76 116.12 2edy s ALA 28 Ca 0.13 1.63 0.04 0.00 0.00 0.00 0.00 51.96 53.75 2edy s ALA 28 Cb 0.05 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2edy s ALA 28 CO -0.05 -1.43 0.14 1.67 0.00 0.00 0.00 175.76 176.09 2edy s TRP 29 N 2.90 1.78 0.28 0.00 -2.14 -0.72 -3.04 118.94 118.00 2edy s TRP 29 Ca 0.12 -1.30 0.10 0.00 2.66 0.00 0.00 56.10 57.67 2edy s TRP 29 Cb -0.12 -1.12 -0.05 0.00 -3.10 0.00 0.00 33.47 29.07 2edy s TRP 29 CO -0.17 -0.33 -0.14 -0.51 -2.66 0.00 0.00 176.95 173.13 2edy s ASP 30 N -3.58 3.33 0.85 -2.66 1.01 -0.10 -4.69 116.67 110.83 2edy s ASP 30 Ca 0.26 -1.09 -0.11 0.00 0.71 0.00 0.00 52.55 52.31 2edy s ASP 30 Cb 0.03 -0.26 0.10 0.00 1.01 0.00 0.00 42.92 43.80 2edy s ASP 30 CO 0.15 -0.11 1.09 -2.16 0.21 0.00 0.00 175.17 174.35 2edy s PRO 31 N -3.59 1.59 0.67 8.23 0.04 -1.26 -2.96 135.00 137.72 2edy s PRO 31 Ca 0.29 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 2edy s PRO 31 Cb -0.01 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2edy s PRO 31 CO 0.13 -2.04 1.11 -1.25 0.04 0.00 0.00 177.00 174.99 2edy s PRO 32 N -4.92 2.76 0.29 0.56 0.04 -1.26 -4.34 135.00 128.12 2edy s PRO 32 Ca 0.63 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 2edy s PRO 32 Cb -0.18 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 2edy s PRO 32 CO 0.57 -1.28 1.39 0.14 0.04 0.00 0.00 177.00 177.86 2edy s VAL 33 N -2.39 2.65 0.39 -0.36 -7.23 -1.26 -4.83 120.40 107.37 2edy s VAL 33 Ca 0.66 0.59 0.27 0.00 -1.81 0.00 0.00 61.98 61.70 2edy s VAL 33 Cb -0.20 -3.38 0.27 0.00 0.56 0.00 0.00 36.38 33.63 2edy s VAL 33 CO 0.43 0.12 1.80 0.17 -0.31 0.00 0.00 175.10 177.31 2edy h LEU 34 N 4.26 0.00 -0.01 1.32 8.10 -1.93 -0.23 115.31 126.81 2edy h LEU 34 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.51 2edy h LEU 34 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 2edy h LEU 34 CO 0.72 0.00 -0.03 0.00 -4.11 0.00 0.00 178.44 175.02 2edy h ALA 35 N 1.49 0.02 0.04 0.17 0.00 -2.03 -3.30 119.26 115.65 2edy h ALA 35 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 2edy h ALA 35 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2edy h ALA 35 CO 0.00 -0.17 -1.02 1.05 0.00 0.00 0.00 179.25 179.11 2edy h GLU 36 N -0.50 0.28 -6.01 0.00 4.11 -1.57 -3.45 114.58 107.44 2edy h GLU 36 Ca 0.00 -0.36 -0.74 0.00 0.07 0.00 0.00 59.36 58.33 2edy h GLU 36 Cb 0.60 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2edy h GLU 36 CO 0.01 1.09 1.26 0.54 0.07 0.00 0.00 179.01 181.98 2edy n ARG 37 N -3.63 0.50 0.19 1.06 1.74 -0.23 -4.54 116.66 111.75 2edy n ARG 37 Ca -0.06 0.15 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 2edy n ARG 37 Cb 0.89 -1.90 0.13 0.00 -1.02 0.00 0.00 32.46 30.56 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 9.69 0.00 0.00 0.55 -0.26 -1.89 -3.48 115.58 120.19 2edy h ASN 38 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 2edy h ASN 38 Cb 1.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.63 2edy h ASN 38 CO 1.04 0.08 0.00 0.61 -1.06 0.00 0.00 177.43 178.11 2edy n GLY 39 N 1.13 1.48 3.09 2.83 0.00 -1.26 -5.09 105.19 107.37 2edy n GLY 39 Ca 0.03 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 1.96 0.60 0.11 1.61 0.52 -1.26 -5.16 118.95 117.34 2edy s ARG 40 Ca 0.00 -1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 54.15 2edy s ARG 40 Cb 0.00 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2edy s ARG 40 CO 0.00 -0.04 0.28 0.42 0.02 0.00 0.00 175.30 175.97 2edy s ILE 41 N -2.92 5.31 0.00 1.52 -1.09 -1.26 -4.28 121.20 118.48 2edy s ILE 41 Ca 0.01 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 2edy s ILE 41 Cb 0.01 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2edy s ILE 41 CO -0.05 0.03 0.00 2.30 -1.23 0.00 0.00 174.94 175.99 2edy n ILE 42 N -0.05 0.00 -3.87 2.92 -5.35 -0.64 -4.98 119.36 107.39 2edy n ILE 42 Ca -0.05 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2edy n ILE 42 Cb 0.52 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 38.09 2edy n ILE 42 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2edy s SER 43 N -2.42 -0.00 0.07 7.28 1.04 -1.25 -4.76 113.70 113.65 2edy s SER 43 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2edy s SER 43 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2edy s SER 43 CO 0.00 -1.02 -0.05 -0.31 0.98 0.00 0.00 173.24 172.84 2edy s TYR 44 N -2.23 0.68 -0.24 5.02 1.51 -1.22 -1.33 117.35 119.54 2edy s TYR 44 Ca 0.21 -0.95 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 2edy s TYR 44 Cb -0.03 -0.44 0.06 0.00 -0.11 0.00 0.00 41.96 41.44 2edy s TYR 44 CO 0.05 -0.25 -0.08 0.99 -1.11 0.00 0.00 175.55 175.15 2edy s THR 45 N -3.56 1.81 -0.77 -0.71 2.01 -0.86 -2.90 115.64 110.66 2edy s THR 45 Ca 0.07 -1.38 -0.20 0.00 0.31 0.00 0.00 61.69 60.49 2edy s THR 45 Cb 0.05 -1.99 0.10 0.00 0.01 0.00 0.00 72.50 70.67 2edy s THR 45 CO -0.07 -0.05 1.00 -0.69 -0.69 0.00 0.00 174.62 174.12 2edy s VAL 46 N 1.27 4.59 -0.46 3.82 1.01 -0.11 -3.01 120.40 127.52 2edy s VAL 46 Ca -0.07 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 2edy s VAL 46 Cb -0.19 -4.70 0.03 0.00 0.00 0.00 0.00 36.38 31.52 2edy s VAL 46 CO -0.06 -1.43 0.85 -0.69 0.00 0.00 0.00 175.10 173.77 2edy s VAL 47 N 3.19 4.56 -0.07 2.92 1.01 -1.00 -0.90 120.40 130.11 2edy s VAL 47 Ca 0.25 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2edy s VAL 47 Cb -0.12 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2edy s VAL 47 CO 0.01 -0.80 -0.12 0.72 0.00 0.00 0.00 175.10 174.90 2edy s PHE 48 N 3.51 2.78 -0.20 5.22 -0.71 0.11 -1.18 117.98 127.51 2edy s PHE 48 Ca 0.32 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 55.82 2edy s PHE 48 Cb -0.11 -1.69 0.05 0.00 -1.21 0.00 0.00 43.02 40.05 2edy s PHE 48 CO 0.24 0.13 0.53 0.50 -1.34 0.00 0.00 175.22 175.28 2edy s ARG 49 N -0.51 0.62 -0.31 1.99 3.52 -0.08 -1.55 118.95 122.62 2edy s ARG 49 Ca 0.07 0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 2edy s ARG 49 Cb -0.12 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.55 2edy s ARG 49 CO 0.02 -0.08 1.41 0.34 -0.81 0.00 0.00 175.30 176.17 2edy s ASP 50 N 0.38 6.51 0.03 -2.12 2.15 -1.26 0.15 116.67 122.52 2edy s ASP 50 Ca -0.01 1.20 0.02 0.00 0.43 0.00 0.00 52.55 54.19 2edy s ASP 50 Cb -0.04 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 2edy s ASP 50 CO -0.01 -1.22 1.06 2.30 -0.17 0.00 0.00 175.17 177.13 2edy n ILE 51 N 6.50 1.85 0.71 4.11 -5.35 -1.21 0.08 119.36 126.05 2edy n ILE 51 Ca 0.16 0.53 0.11 0.00 -0.27 0.00 0.00 62.75 63.27 2edy n ILE 51 Cb 0.47 -1.53 -0.05 0.00 -1.74 0.00 0.00 39.64 36.79 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 -1.57 0.68 -4.50 7.28 3.02 -1.26 -4.97 115.26 113.93 2edy n ASN 52 Ca -0.00 -0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.72 2edy n ASN 52 Cb 0.02 1.03 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 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 -3.52 3.50 -0.12 6.41 0.01 0.11 -5.05 113.70 115.04 2edy s SER 53 Ca 0.04 -1.60 0.15 0.00 1.31 0.00 0.00 55.95 55.85 2edy s SER 53 Cb 0.15 0.35 0.50 0.00 0.21 0.00 0.00 66.02 67.23 2edy s SER 53 CO 0.84 -0.81 1.41 0.00 0.41 0.00 0.00 173.24 175.09 2edy n GLN 54 N -1.06 3.08 -3.08 12.44 10.64 -1.26 -4.66 117.38 133.48 2edy n GLN 54 Ca -0.12 -2.63 -0.44 0.00 -1.83 0.00 0.00 57.00 51.99 2edy n GLN 54 Cb 0.66 -1.70 -0.05 0.00 -0.86 0.00 0.00 30.24 28.29 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2edy s GLN 55 N -2.21 3.14 0.09 2.61 2.00 -1.26 -5.04 119.66 118.99 2edy s GLN 55 Ca 0.38 -0.86 -0.13 0.00 -2.00 0.00 0.00 55.36 52.75 2edy s GLN 55 Cb 0.28 -4.13 -0.06 0.00 0.80 0.00 0.00 33.01 29.90 2edy s GLN 55 CO 0.12 -1.35 0.46 -2.00 -0.50 0.00 0.00 175.29 172.03 2edy s GLU 56 N 2.93 3.88 0.21 1.67 2.12 -1.26 -4.00 118.70 124.25 2edy s GLU 56 Ca 0.17 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.71 2edy s GLU 56 Cb -0.19 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2edy s GLU 56 CO 0.12 0.55 0.45 -0.51 -0.54 0.00 0.00 175.26 175.34 2edy s LEU 57 N -1.78 0.38 0.28 2.70 1.43 -0.60 -5.02 118.68 116.07 2edy s LEU 57 Ca 0.33 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 2edy s LEU 57 Cb -0.15 1.78 0.03 0.00 0.03 0.00 0.00 46.19 47.88 2edy s LEU 57 CO 0.18 -1.06 0.77 0.00 0.23 0.00 0.00 176.35 176.47 2edy s GLN 58 N -3.96 1.77 0.26 1.70 -2.07 -1.26 0.08 119.66 116.17 2edy s GLN 58 Ca 0.16 -1.01 -0.05 0.00 -1.82 0.00 0.00 55.36 52.64 2edy s GLN 58 Cb 0.00 0.58 -0.02 0.00 -1.09 0.00 0.00 33.01 32.48 2edy s GLN 58 CO 0.03 -0.81 0.34 -0.80 -1.32 0.00 0.00 175.29 172.73 2edy s ASN 59 N -2.95 0.31 -0.02 12.60 0.02 -0.08 -4.92 114.94 119.89 2edy s ASN 59 Ca 0.12 -1.26 0.02 0.00 -1.02 0.00 0.00 52.86 50.72 2edy s ASN 59 Cb -0.05 0.53 0.01 0.00 0.02 0.00 0.00 41.25 41.75 2edy s ASN 59 CO 0.07 -1.06 -0.07 -0.63 0.02 0.00 0.00 177.10 175.43 2edy s ILE 60 N -3.83 0.60 -0.20 0.60 1.01 -1.26 -0.93 121.20 117.18 2edy s ILE 60 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 2edy s ILE 60 Cb 0.02 -0.56 0.09 0.00 0.01 0.00 0.00 42.46 42.02 2edy s ILE 60 CO 0.14 0.20 0.44 0.28 0.00 0.00 0.00 174.94 176.00 2edy s THR 61 N 0.32 -0.59 -0.27 2.92 -1.32 -1.14 -5.00 115.64 110.55 2edy s THR 61 Ca -0.04 0.15 0.14 0.00 -1.21 0.00 0.00 61.69 60.73 2edy s THR 61 Cb -0.09 -0.69 0.14 0.00 -1.51 0.00 0.00 72.50 70.36 2edy s THR 61 CO 0.00 0.06 1.40 0.35 -2.21 0.00 0.00 174.62 174.22 2edy n THR 62 N 5.25 1.05 -3.15 5.08 -2.24 -1.26 -3.45 114.28 115.55 2edy n THR 62 Ca -0.11 0.69 -0.24 0.00 -2.27 0.00 0.00 64.05 62.12 2edy n THR 62 Cb 0.50 -1.69 -0.00 0.00 -2.10 0.00 0.00 70.33 67.04 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 -3.60 6.17 -0.04 3.42 1.01 -1.26 -4.78 116.67 117.60 2edy s ASP 63 Ca -0.02 0.49 0.02 0.00 0.71 0.00 0.00 52.55 53.76 2edy s ASP 63 Cb 0.04 -1.95 0.13 0.00 1.01 0.00 0.00 42.92 42.16 2edy s ASP 63 CO 0.13 -0.45 0.73 0.35 0.21 0.00 0.00 175.17 176.14 2edy n THR 64 N -1.94 0.43 -4.03 -1.27 -2.24 -1.26 -4.74 114.28 99.23 2edy n THR 64 Ca -0.02 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 2edy n THR 64 Cb 0.56 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.32 0.62 0.26 -0.78 1.04 -1.26 -1.75 118.95 115.75 2edy s ARG 65 Ca 0.09 -1.08 -0.20 0.00 -1.04 0.00 0.00 55.73 53.50 2edy s ARG 65 Cb 0.07 0.22 0.02 0.00 -2.04 0.00 0.00 34.95 33.22 2edy s ARG 65 CO 0.03 -0.13 0.67 0.12 -0.04 0.00 0.00 175.30 175.95 2edy s PHE 66 N -3.55 -0.18 -0.22 5.89 5.36 -1.24 -4.88 117.98 119.17 2edy s PHE 66 Ca 0.03 -0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 55.73 2edy s PHE 66 Cb 0.05 0.63 0.08 0.00 -0.34 0.00 0.00 43.02 43.44 2edy s PHE 66 CO -0.09 -1.15 0.14 0.99 -1.46 0.00 0.00 175.22 173.65 2edy s THR 67 N -3.90 -0.15 1.30 0.12 2.01 -1.26 0.11 115.64 113.86 2edy s THR 67 Ca 0.11 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 2edy s THR 67 Cb -0.05 -0.73 0.33 0.00 0.01 0.00 0.00 72.50 72.06 2edy s THR 67 CO 0.04 -0.40 0.98 -0.76 -0.69 0.00 0.00 174.62 173.79 2edy s LEU 68 N 2.18 -0.17 0.23 4.42 2.01 0.43 -4.75 118.68 123.03 2edy s LEU 68 Ca 0.05 1.16 -0.22 0.00 0.01 0.00 0.00 54.13 55.14 2edy s LEU 68 Cb -0.16 -2.82 0.04 0.00 0.01 0.00 0.00 46.19 43.26 2edy s LEU 68 CO -0.19 -4.80 0.69 0.42 1.01 0.00 0.00 176.35 173.49 2edy s THR 69 N -2.38 0.00 -1.21 5.49 -4.23 -1.26 -2.36 115.64 109.69 2edy s THR 69 Ca 0.69 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 2edy s THR 69 Cb -0.19 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.03 2edy s THR 69 CO 0.61 0.00 1.06 0.61 -0.54 0.00 0.00 174.62 176.36 2edy n GLY 70 N -0.43 -0.39 3.76 3.99 0.00 -1.22 -4.92 105.19 105.99 2edy n GLY 70 Ca -0.09 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.62 3.43 0.01 0.99 1.43 0.51 -5.05 118.68 113.37 2edy s LEU 71 Ca 0.51 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2edy s LEU 71 Cb -0.22 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 2edy s LEU 71 CO 0.65 -0.23 0.44 -0.75 0.23 0.00 0.00 176.35 176.69 2edy s LYS 72 N -3.86 3.97 0.37 1.70 2.20 -1.26 -4.27 119.74 118.59 2edy s LYS 72 Ca 0.37 0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 56.18 2edy s LYS 72 Cb -0.05 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2edy s LYS 72 CO 0.24 0.68 1.20 -1.25 -0.36 0.00 0.00 175.35 175.86 2edy s PRO 73 N -1.09 4.18 -1.24 4.03 0.04 -0.79 -3.46 135.00 136.66 2edy s PRO 73 Ca 0.25 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 2edy s PRO 73 Cb -0.17 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.55 2edy s PRO 73 CO 0.14 -0.25 1.06 -3.47 0.04 0.00 0.00 177.00 174.53 2edy n ASP 74 N 0.36 -4.29 -3.79 6.66 2.03 -1.08 -4.87 116.55 111.56 2edy n ASP 74 Ca 0.03 -0.56 -0.14 0.00 0.52 0.00 0.00 54.79 54.64 2edy n ASP 74 Cb 0.45 -4.92 -0.15 0.00 -0.72 0.00 0.00 41.12 35.78 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 -3.33 -0.04 0.21 5.18 2.01 -1.23 -4.96 115.64 113.49 2edy s THR 75 Ca 0.30 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2edy s THR 75 Cb -0.13 -0.10 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 2edy s THR 75 CO 0.70 0.07 1.34 -0.89 -0.69 0.00 0.00 174.62 175.15 2edy s THR 76 N 0.84 3.08 -0.22 -0.82 2.01 -1.26 -2.49 115.64 116.78 2edy s THR 76 Ca -0.07 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 2edy s THR 76 Cb -0.10 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.90 2edy s THR 76 CO -0.03 0.14 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.71 2edy s TYR 77 N 0.09 1.87 -0.67 4.92 2.02 -1.00 -3.30 117.35 121.27 2edy s TYR 77 Ca 0.57 -1.43 -0.26 0.00 -0.37 0.00 0.00 57.07 55.58 2edy s TYR 77 Cb -0.38 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2edy s TYR 77 CO 0.39 -0.72 2.05 0.34 -1.57 0.00 0.00 175.55 176.05 2edy s ASP 78 N 1.57 4.92 -0.12 2.29 -1.08 0.40 -1.84 116.67 122.82 2edy s ASP 78 Ca -0.03 0.22 -0.02 0.00 -0.52 0.00 0.00 52.55 52.20 2edy s ASP 78 Cb -0.18 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2edy s ASP 78 CO -0.07 -2.72 -0.03 -0.63 0.52 0.00 0.00 175.17 172.23 2edy s ILE 79 N 10.55 3.98 0.19 4.11 1.01 -1.26 -0.90 121.20 138.89 2edy s ILE 79 Ca 0.77 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2edy s ILE 79 Cb -0.12 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2edy s ILE 79 CO 0.15 0.54 0.13 2.29 0.00 0.00 0.00 174.94 178.06 2edy n LYS 80 N 2.89 0.39 -3.78 2.79 2.85 -0.33 -1.46 118.16 121.51 2edy n LYS 80 Ca -0.18 -1.84 -0.10 0.00 -1.05 0.00 0.00 58.31 55.15 2edy n LYS 80 Cb 0.53 1.34 -0.05 0.00 -0.65 0.00 0.00 35.03 36.20 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 -2.62 0.05 -0.18 0.58 0.11 -1.26 -2.38 120.40 114.70 2edy s VAL 81 Ca 0.18 -0.91 -0.25 0.00 -2.93 0.00 0.00 61.98 58.08 2edy s VAL 81 Cb 0.01 -1.57 0.06 0.00 -1.53 0.00 0.00 36.38 33.35 2edy s VAL 81 CO 0.13 -0.21 0.64 0.00 -3.33 0.00 0.00 175.10 172.34 2edy s ARG 82 N -3.89 0.85 0.17 1.54 1.70 -1.16 0.24 118.95 118.40 2edy s ARG 82 Ca 0.10 0.66 -0.16 0.00 -0.47 0.00 0.00 55.73 55.86 2edy s ARG 82 Cb 0.01 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2edy s ARG 82 CO -0.04 -0.17 0.60 0.00 -1.08 0.00 0.00 175.30 174.62 2edy s ALA 83 N -0.20 3.52 0.05 7.88 0.00 -1.26 -2.04 121.76 129.72 2edy s ALA 83 Ca -0.04 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 51.97 2edy s ALA 83 Cb -0.03 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2edy s ALA 83 CO 0.04 0.41 -0.24 -1.58 0.00 0.00 0.00 175.76 174.39 2edy s TRP 84 N -1.49 2.39 0.20 0.00 0.52 -0.44 -3.59 118.94 116.53 2edy s TRP 84 Ca 0.40 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 56.24 2edy s TRP 84 Cb -0.15 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.72 2edy s TRP 84 CO 0.20 0.19 -0.17 0.95 0.02 0.00 0.00 176.95 178.13 2edy s THR 85 N -0.87 1.93 0.61 2.01 -4.23 -0.02 -1.62 115.64 113.44 2edy s THR 85 Ca 0.13 -2.12 0.27 0.00 -1.18 0.00 0.00 61.69 58.79 2edy s THR 85 Cb -0.10 -2.01 0.38 0.00 1.34 0.00 0.00 72.50 72.11 2edy s THR 85 CO 0.03 -0.43 1.52 0.28 -0.54 0.00 0.00 174.62 175.48 2edy h SER 86 N 2.81 0.00 0.06 3.99 0.02 -1.94 -0.68 113.55 117.81 2edy h SER 86 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2edy h SER 86 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2edy h SER 86 CO 0.57 0.00 -0.03 0.11 -1.14 0.00 0.00 176.83 176.34 2edy h LYS 87 N 0.00 -0.07 0.00 3.45 1.79 -1.89 -3.51 116.57 116.34 2edy h LYS 87 Ca 0.38 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2edy h LYS 87 Cb 2.26 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.93 2edy h LYS 87 CO -0.00 -0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.73 2edy n GLY 88 N 1.58 2.20 3.63 3.86 0.00 -0.26 -4.89 105.19 111.30 2edy n GLY 88 Ca -0.01 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2edy n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edy s SER 89 N 2.00 3.96 0.00 1.61 1.04 -1.26 -0.84 113.70 120.21 2edy s SER 89 Ca 0.00 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2edy s SER 89 Cb 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2edy s SER 89 CO 0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2edy n GLY 90 N -0.99 5.29 3.62 7.32 0.00 -1.24 -3.61 105.19 115.59 2edy n GLY 90 Ca -0.04 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 3.55 -0.61 -0.17 1.61 0.04 -1.25 -4.96 135.00 133.21 2edy s PRO 91 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2edy s PRO 91 Cb 0.00 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.90 2edy s PRO 91 CO 0.00 -3.35 -0.16 -0.51 0.04 0.00 0.00 177.00 173.02 2edy s LEU 92 N -6.76 2.37 0.77 -3.56 1.43 -1.26 -4.55 118.68 107.11 2edy s LEU 92 Ca 0.69 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 2edy s LEU 92 Cb -0.13 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2edy s LEU 92 CO 0.57 0.04 0.77 -1.54 0.23 0.00 0.00 176.35 176.42 2edy n SER 93 N 4.37 -0.39 -4.64 2.29 3.41 0.14 -4.87 113.62 113.92 2edy n SER 93 Ca -0.20 0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 2edy n SER 93 Cb 0.51 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.11 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 -3.31 3.91 0.56 4.33 0.04 -1.26 -4.38 135.00 134.89 2edy s PRO 94 Ca 0.68 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 2edy s PRO 94 Cb -0.32 -4.00 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 2edy s PRO 94 CO 0.56 -1.16 0.60 -1.13 0.04 0.00 0.00 177.00 175.91 2edy n SER 95 N 8.03 -0.73 -0.05 6.66 3.41 -1.26 -4.85 113.62 124.83 2edy n SER 95 Ca 0.18 0.76 -0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2edy n SER 95 Cb 0.45 -1.20 -0.13 0.00 -0.26 0.00 0.00 64.21 63.06 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 -1.64 0.61 -3.36 -1.33 -5.35 -0.54 -4.91 119.36 102.85 2edy n ILE 96 Ca 0.12 -0.56 -0.18 0.00 -0.27 0.00 0.00 62.75 61.86 2edy n ILE 96 Cb 0.47 -0.26 0.08 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.38 -6.42 -1.98 6.28 6.02 -1.20 -4.90 117.38 112.79 2edy n GLN 97 Ca -0.16 0.75 -0.43 0.00 -0.01 0.00 0.00 57.00 57.15 2edy n GLN 97 Cb 0.77 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.50 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 -3.83 6.36 -0.36 1.08 0.15 -0.77 -4.00 113.70 112.34 2edy s SER 98 Ca 0.22 1.93 -0.23 0.00 0.70 0.00 0.00 55.95 58.56 2edy s SER 98 Cb -0.10 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2edy s SER 98 CO 0.65 -1.23 0.77 -0.60 1.20 0.00 0.00 173.24 174.04 2edy s ARG 99 N 4.67 3.76 0.61 5.44 3.52 -1.26 -2.38 118.95 133.32 2edy s ARG 99 Ca 0.77 0.31 -0.18 0.00 -0.13 0.00 0.00 55.73 56.51 2edy s ARG 99 Cb -0.30 -3.80 -0.12 0.00 -1.56 0.00 0.00 34.95 29.17 2edy s ARG 99 CO 0.31 -0.83 0.03 0.25 -0.81 0.00 0.00 175.30 174.25 2edy n THR 100 N 5.76 0.74 -1.95 4.11 -2.24 -1.04 -4.76 114.28 114.90 2edy n THR 100 Ca 0.03 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.92 2edy n THR 100 Cb 0.48 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.63 4.22 -0.59 -0.78 0.00 -1.25 -2.65 119.30 116.62 2edy s MET 101 Ca 0.59 2.40 -0.27 0.00 0.00 0.00 0.00 55.69 58.41 2edy s MET 101 Cb -0.42 -3.02 -0.02 0.00 0.00 0.00 0.00 34.83 31.37 2edy s MET 101 CO 0.65 -0.38 1.85 -1.25 0.00 0.00 0.00 175.02 175.88 2edy s PRO 102 N -1.82 2.69 0.00 3.16 0.04 -1.26 -3.54 135.00 134.27 2edy s PRO 102 Ca 0.52 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2edy s PRO 102 Cb -0.43 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2edy s PRO 102 CO 0.57 -2.65 0.23 1.55 0.04 0.00 0.00 177.00 176.74