#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy s SER 2 N 0.00 -0.06 -1.46 1.61 1.04 -1.26 -4.90 113.70 108.68 2edy s SER 2 Ca 0.00 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 2edy s SER 2 Cb 0.00 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.47 2edy s SER 2 CO 0.00 -0.52 1.02 -0.24 0.98 0.00 0.00 173.24 174.48 2edy n SER 3 N 0.89 -4.85 0.00 7.02 2.88 -1.26 -4.86 113.62 113.44 2edy n SER 3 Ca -0.20 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 2edy n SER 3 Cb 0.58 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 2edy n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edy n GLY 4 N -1.76 -1.89 0.26 0.46 0.00 -1.26 -4.93 105.19 96.08 2edy n GLY 4 Ca -0.01 0.89 0.04 0.00 0.00 0.00 0.00 46.02 46.94 2edy n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2edy h SER 5 N 0.00 0.07 -5.04 1.61 4.64 -1.89 -3.45 113.55 109.48 2edy h SER 5 Ca 0.00 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2edy h SER 5 Cb 0.00 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2edy h SER 5 CO 0.00 0.01 0.21 -0.44 -0.87 0.00 0.00 176.83 175.74 2edy s SER 6 N -5.28 -0.03 0.00 4.97 0.01 -1.26 -5.05 113.70 107.06 2edy s SER 6 Ca -0.13 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2edy s SER 6 Cb 0.20 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2edy s SER 6 CO 0.75 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 173.48 2edy n GLY 7 N -0.50 -1.92 3.69 3.44 0.00 -1.25 -1.47 105.19 107.17 2edy n GLY 7 Ca -0.06 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.74 0.59 0.00 1.61 0.04 -1.25 -4.88 135.00 129.37 2edy s PRO 8 Ca 0.00 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2edy s PRO 8 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2edy s PRO 8 CO 0.00 -2.64 0.00 0.43 0.04 0.00 0.00 177.00 174.83 2edy n SER 9 N -4.12 0.80 -4.54 6.66 7.64 -1.26 -4.17 113.62 114.64 2edy n SER 9 Ca 0.06 -0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.29 2edy n SER 9 Cb 0.57 0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 64.51 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2edy s GLY 10 N -1.01 1.72 0.20 0.23 0.00 -1.26 -4.74 107.32 102.47 2edy s GLY 10 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.54 2edy s GLY 10 CO 0.00 -1.19 0.16 -0.11 0.00 0.00 0.00 173.10 171.96 2edy s PHE 11 N -1.12 3.12 1.10 1.90 -0.71 -1.26 -4.75 117.98 116.26 2edy s PHE 11 Ca 0.19 -0.06 -0.16 0.00 -1.04 0.00 0.00 56.93 55.86 2edy s PHE 11 Cb -0.11 -1.46 0.24 0.00 -1.21 0.00 0.00 43.02 40.48 2edy s PHE 11 CO 0.11 0.52 1.10 -1.25 -1.34 0.00 0.00 175.22 174.36 2edy s PRO 12 N -3.41 -0.42 0.33 1.99 0.04 -1.26 -4.66 135.00 127.60 2edy s PRO 12 Ca 0.32 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.62 2edy s PRO 12 Cb -0.09 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 2edy s PRO 12 CO 0.24 -3.24 0.12 1.04 0.04 0.00 0.00 177.00 175.20 2edy n GLN 13 N -4.48 0.63 -2.17 4.56 1.13 -1.15 -4.83 117.38 111.07 2edy n GLN 13 Ca 0.09 -2.78 -0.19 0.00 -1.94 0.00 0.00 57.00 52.18 2edy n GLN 13 Cb 0.58 1.55 -0.03 0.00 0.11 0.00 0.00 30.24 32.46 2edy n GLN 13 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2edy n ASN 14 N -1.64 -5.39 -4.64 1.08 5.03 -1.26 -0.11 115.26 108.33 2edy n ASN 14 Ca -0.04 0.09 -0.43 0.00 0.87 0.00 0.00 54.58 55.07 2edy n ASN 14 Cb 0.49 -4.47 -0.02 0.00 -1.02 0.00 0.00 39.78 34.76 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 -5.14 3.96 0.00 3.41 2.96 -1.26 -3.77 118.68 118.83 2edy s LEU 15 Ca 0.00 1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 55.10 2edy s LEU 15 Cb 0.00 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.22 2edy s LEU 15 CO 0.00 -1.02 0.88 0.00 -1.32 0.00 0.00 176.35 174.89 2edy n HIS 16 N 7.46 -0.94 -4.29 5.38 1.44 -1.20 -4.94 115.22 118.14 2edy n HIS 16 Ca 0.15 -0.88 -0.35 0.00 -2.01 0.00 0.00 57.72 54.63 2edy n HIS 16 Cb 0.46 0.42 -0.10 0.00 0.12 0.00 0.00 29.99 30.89 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 -2.13 4.36 -1.29 0.61 0.11 -1.26 -0.30 120.40 120.49 2edy s VAL 17 Ca 0.20 -0.21 0.19 0.00 -2.93 0.00 0.00 61.98 59.23 2edy s VAL 17 Cb -0.02 -2.88 -0.12 0.00 -1.53 0.00 0.00 36.38 31.83 2edy s VAL 17 CO 0.03 0.55 0.89 1.07 -3.33 0.00 0.00 175.10 174.31 2edy n THR 18 N 2.71 0.00 -2.65 5.04 5.66 -1.26 -4.82 114.28 118.95 2edy n THR 18 Ca -0.18 -0.15 -0.03 0.00 -3.05 0.00 0.00 64.05 60.64 2edy n THR 18 Cb 0.53 1.10 0.04 0.00 -1.55 0.00 0.00 70.33 70.45 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 1.40 -1.93 3.65 1.09 0.00 -1.26 -5.06 105.19 103.09 2edy n GLY 19 Ca 0.06 1.41 -0.29 0.00 0.00 0.00 0.00 46.02 47.20 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 0.87 1.28 0.08 0.99 2.34 -1.26 -2.94 118.68 120.04 2edy s LEU 20 Ca 0.23 0.96 -0.07 0.00 0.06 0.00 0.00 54.13 55.31 2edy s LEU 20 Cb 0.16 -2.98 -0.01 0.00 -0.56 0.00 0.00 46.19 42.80 2edy s LEU 20 CO -0.11 -3.47 0.14 -0.89 -1.06 0.00 0.00 176.35 170.95 2edy s THR 21 N -3.01 0.16 0.38 5.48 2.01 0.45 -4.78 115.64 116.32 2edy s THR 21 Ca 0.67 -1.31 0.11 0.00 0.31 0.00 0.00 61.69 61.47 2edy s THR 21 Cb -0.15 -1.35 0.34 0.00 0.01 0.00 0.00 72.50 71.34 2edy s THR 21 CO 0.57 -0.73 1.88 0.71 -0.69 0.00 0.00 174.62 176.36 2edy h THR 22 N 2.89 0.81 0.00 -0.82 1.35 -1.92 -3.22 112.91 112.00 2edy h THR 22 Ca -0.34 -0.21 -0.19 0.00 -0.55 0.00 0.00 66.41 65.12 2edy h THR 22 Cb 1.18 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.73 2edy h THR 22 CO 0.58 0.11 -1.72 -1.54 -0.25 0.00 0.00 175.52 172.70 2edy n SER 23 N -4.54 2.57 -4.95 5.36 3.41 -1.26 -1.94 113.62 112.26 2edy n SER 23 Ca 0.17 -0.02 -0.19 0.00 -0.26 0.00 0.00 58.87 58.57 2edy n SER 23 Cb 0.51 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2edy s THR 24 N -2.25 3.25 -0.17 6.66 -4.23 -1.22 -0.56 115.64 117.13 2edy s THR 24 Ca -0.17 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2edy s THR 24 Cb 0.05 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.85 2edy s THR 24 CO 0.28 -0.06 0.24 -0.89 -0.54 0.00 0.00 174.62 173.64 2edy s THR 25 N -2.33 -0.36 0.77 3.99 2.01 -1.10 0.17 115.64 118.78 2edy s THR 25 Ca 0.49 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 2edy s THR 25 Cb -0.08 -0.56 0.05 0.00 0.01 0.00 0.00 72.50 71.93 2edy s THR 25 CO 0.30 -0.05 1.09 -1.61 -0.69 0.00 0.00 174.62 173.67 2edy s GLU 26 N 2.37 2.34 0.12 4.92 2.02 -1.15 0.74 118.70 130.05 2edy s GLU 26 Ca 0.05 0.68 -0.07 0.00 0.02 0.00 0.00 54.97 55.65 2edy s GLU 26 Cb -0.14 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 2edy s GLU 26 CO -0.10 -1.45 0.19 -0.51 0.02 0.00 0.00 175.26 173.40 2edy s LEU 27 N -5.69 1.39 -0.30 1.80 1.43 0.17 -4.14 118.68 113.35 2edy s LEU 27 Ca 0.60 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2edy s LEU 27 Cb -0.14 0.91 0.19 0.00 0.03 0.00 0.00 46.19 47.18 2edy s LEU 27 CO 0.54 -0.78 0.80 0.00 0.23 0.00 0.00 176.35 177.15 2edy s ALA 28 N -3.93 -2.93 0.44 4.21 0.00 0.58 -3.66 121.76 116.47 2edy s ALA 28 Ca 0.13 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.60 2edy s ALA 28 Cb 0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 2edy s ALA 28 CO -0.05 -1.60 0.09 1.67 0.00 0.00 0.00 175.76 175.87 2edy s TRP 29 N 2.90 1.82 0.31 0.00 -2.14 -0.36 -3.20 118.94 118.26 2edy s TRP 29 Ca 0.13 -1.18 0.11 0.00 2.66 0.00 0.00 56.10 57.82 2edy s TRP 29 Cb -0.10 -1.31 -0.06 0.00 -3.10 0.00 0.00 33.47 28.90 2edy s TRP 29 CO -0.19 -0.13 -0.15 -0.51 -2.66 0.00 0.00 176.95 173.31 2edy s ASP 30 N -3.69 3.64 0.83 -2.66 1.11 0.84 -4.68 116.67 112.06 2edy s ASP 30 Ca 0.18 -1.11 -0.11 0.00 0.18 0.00 0.00 52.55 51.69 2edy s ASP 30 Cb 0.02 -0.32 0.09 0.00 1.07 0.00 0.00 42.92 43.78 2edy s ASP 30 CO 0.11 -0.08 1.09 -2.16 1.18 0.00 0.00 175.17 175.31 2edy s PRO 31 N -3.56 1.80 0.44 8.23 0.04 -1.26 -2.93 135.00 137.75 2edy s PRO 31 Ca 0.31 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 2edy s PRO 31 Cb -0.01 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 2edy s PRO 31 CO 0.16 -1.92 1.18 -1.25 0.04 0.00 0.00 177.00 175.21 2edy s PRO 32 N -4.92 3.87 0.24 0.56 0.04 -1.26 -4.34 135.00 129.20 2edy s PRO 32 Ca 0.62 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 2edy s PRO 32 Cb -0.17 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 31.72 2edy s PRO 32 CO 0.56 -0.47 1.63 1.33 0.04 0.00 0.00 177.00 180.09 2edy n VAL 33 N -0.26 0.53 0.27 -0.36 0.24 -1.26 -4.75 118.33 112.74 2edy n VAL 33 Ca 0.06 -0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 2edy n VAL 33 Cb 0.47 -1.89 0.64 0.00 -1.47 0.00 0.00 33.84 31.59 2edy n VAL 33 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2edy h LEU 34 N 5.61 0.00 -0.21 1.34 -0.00 -1.93 0.14 115.31 120.27 2edy h LEU 34 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.40 2edy h LEU 34 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 2edy h LEU 34 CO 0.86 0.00 0.03 0.00 -0.00 0.00 0.00 178.44 179.33 2edy h ALA 35 N 1.27 0.27 0.11 0.17 0.00 -2.03 -3.28 119.26 115.78 2edy h ALA 35 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 2edy h ALA 35 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2edy h ALA 35 CO 0.00 -0.05 -1.72 0.93 0.00 0.00 0.00 179.25 178.41 2edy h GLU 36 N 0.13 0.23 -4.46 0.00 4.39 -1.40 -3.46 114.58 110.02 2edy h GLU 36 Ca 0.06 -0.40 -0.56 0.00 0.34 0.00 0.00 59.36 58.81 2edy h GLU 36 Cb 0.33 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2edy h GLU 36 CO 0.00 1.07 1.06 0.54 -1.16 0.00 0.00 179.01 180.52 2edy n ARG 37 N -3.41 0.00 -0.63 2.33 1.74 -0.36 -4.62 116.66 111.72 2edy n ARG 37 Ca -0.22 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.75 2edy n ARG 37 Cb 1.05 -1.14 0.11 0.00 -1.02 0.00 0.00 32.46 31.46 2edy n ARG 37 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2edy n ASN 38 N 6.06 3.41 0.00 0.55 3.02 -1.26 -4.92 115.26 122.12 2edy n ASN 38 Ca 0.43 -2.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 2edy n ASN 38 Cb -0.02 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2edy n GLY 39 N -0.29 -0.32 3.34 7.41 0.00 -1.26 -4.94 105.19 109.13 2edy n GLY 39 Ca 0.30 0.00 -0.17 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 0.00 1.42 0.03 1.61 0.52 -1.26 -5.15 118.95 116.12 2edy s ARG 40 Ca 0.00 -1.76 0.05 0.00 -0.52 0.00 0.00 55.73 53.51 2edy s ARG 40 Cb 0.00 -0.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.98 2edy s ARG 40 CO 0.00 -0.22 -0.11 0.42 0.02 0.00 0.00 175.30 175.41 2edy s ILE 41 N -3.59 3.29 0.00 1.52 -1.09 -1.26 -4.31 121.20 115.76 2edy s ILE 41 Ca 0.34 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2edy s ILE 41 Cb 0.07 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2edy s ILE 41 CO 0.12 0.33 0.00 2.30 -1.23 0.00 0.00 174.94 176.46 2edy n ILE 42 N 1.42 0.00 -3.78 2.92 -5.35 -0.61 -4.97 119.36 109.00 2edy n ILE 42 Ca -0.15 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.30 2edy n ILE 42 Cb 0.52 -0.63 -0.00 0.00 -1.74 0.00 0.00 39.64 37.79 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 -3.43 -0.09 0.13 7.28 0.15 -1.25 -4.76 113.70 111.73 2edy s SER 43 Ca 0.00 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.27 2edy s SER 43 Cb 0.00 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2edy s SER 43 CO 0.00 -0.80 -0.12 -0.31 1.20 0.00 0.00 173.24 173.21 2edy s TYR 44 N -2.75 1.30 -0.22 3.44 1.51 -1.10 -0.80 117.35 118.73 2edy s TYR 44 Ca 0.16 -0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2edy s TYR 44 Cb -0.01 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.20 2edy s TYR 44 CO 0.02 0.11 -0.12 0.99 -1.11 0.00 0.00 175.55 175.44 2edy s THR 45 N -2.69 2.55 -0.59 -0.71 2.01 -0.71 -2.90 115.64 112.60 2edy s THR 45 Ca 0.12 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 2edy s THR 45 Cb -0.01 -2.22 0.11 0.00 0.01 0.00 0.00 72.50 70.39 2edy s THR 45 CO 0.02 0.34 0.66 -0.69 -0.69 0.00 0.00 174.62 174.26 2edy s VAL 46 N 1.31 4.92 -0.44 3.82 1.01 -0.25 -2.59 120.40 128.18 2edy s VAL 46 Ca 0.02 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 60.65 2edy s VAL 46 Cb -0.15 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.79 2edy s VAL 46 CO -0.08 -1.07 0.66 -0.69 0.00 0.00 0.00 175.10 173.92 2edy s VAL 47 N 2.40 4.81 -0.12 2.92 1.01 -1.06 -1.00 120.40 129.36 2edy s VAL 47 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2edy s VAL 47 Cb -0.25 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 2edy s VAL 47 CO 0.05 -0.62 -0.16 0.72 0.00 0.00 0.00 175.10 175.09 2edy s PHE 48 N 2.87 2.75 -0.11 5.22 -0.71 0.22 -1.17 117.98 127.05 2edy s PHE 48 Ca 0.23 -0.75 -0.10 0.00 -1.04 0.00 0.00 56.93 55.28 2edy s PHE 48 Cb -0.14 -1.81 0.03 0.00 -1.21 0.00 0.00 43.02 39.89 2edy s PHE 48 CO 0.19 -0.26 0.29 0.50 -1.34 0.00 0.00 175.22 174.60 2edy s ARG 49 N 0.35 0.33 -0.32 1.99 3.52 -0.12 -2.13 118.95 122.58 2edy s ARG 49 Ca -0.13 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2edy s ARG 49 Cb -0.16 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2edy s ARG 49 CO 0.07 -0.04 1.38 0.34 -0.81 0.00 0.00 175.30 176.24 2edy s ASP 50 N 0.16 6.53 0.51 -2.12 2.15 -1.25 0.11 116.67 122.77 2edy s ASP 50 Ca -0.00 1.18 0.34 0.00 0.43 0.00 0.00 52.55 54.49 2edy s ASP 50 Cb -0.02 -2.54 1.84 0.00 -0.30 0.00 0.00 42.92 41.90 2edy s ASP 50 CO 0.00 -1.20 2.04 0.16 -0.17 0.00 0.00 175.17 176.00 2edy h ILE 51 N 6.12 0.00 -0.01 4.11 3.07 -1.92 0.29 117.51 129.17 2edy h ILE 51 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2edy h ILE 51 Cb 1.11 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 2edy h ILE 51 CO 1.04 0.00 -0.22 0.59 -1.05 0.00 0.00 178.15 178.52 2edy n ASN 52 N -2.70 1.66 -3.69 2.16 3.02 -1.26 -4.95 115.26 109.51 2edy n ASN 52 Ca -0.02 -1.34 -0.21 0.00 -0.03 0.00 0.00 54.58 52.98 2edy n ASN 52 Cb 0.06 0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.31 1.94 -0.33 6.41 0.01 0.10 -5.06 113.70 114.47 2edy s SER 53 Ca 0.27 -1.70 0.07 0.00 1.31 0.00 0.00 55.95 55.90 2edy s SER 53 Cb 0.19 0.53 0.49 0.00 0.21 0.00 0.00 66.02 67.44 2edy s SER 53 CO 0.46 -1.00 1.47 1.67 0.41 0.00 0.00 173.24 176.25 2edy n GLN 54 N -0.70 2.23 -3.35 12.44 7.27 -1.26 -4.62 117.38 129.40 2edy n GLN 54 Ca 0.02 -3.39 -0.45 0.00 0.07 0.00 0.00 57.00 53.26 2edy n GLN 54 Cb 0.64 -1.95 -0.06 0.00 2.41 0.00 0.00 30.24 31.28 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2edy s GLN 55 N -3.38 2.91 0.04 3.69 2.00 -1.26 -5.06 119.66 118.60 2edy s GLN 55 Ca 0.48 -1.70 -0.18 0.00 -2.00 0.00 0.00 55.36 51.95 2edy s GLN 55 Cb 0.42 -4.24 -0.06 0.00 0.80 0.00 0.00 33.01 29.93 2edy s GLN 55 CO 0.00 -1.30 0.52 -2.00 -0.50 0.00 0.00 175.29 172.01 2edy s GLU 56 N 1.57 4.12 -0.04 1.67 2.12 -1.26 -3.80 118.70 123.08 2edy s GLU 56 Ca 0.03 0.63 -0.23 0.00 0.36 0.00 0.00 54.97 55.76 2edy s GLU 56 Cb -0.29 -3.24 0.05 0.00 0.26 0.00 0.00 34.13 30.90 2edy s GLU 56 CO 0.03 0.63 0.50 -0.51 -0.54 0.00 0.00 175.26 175.37 2edy s LEU 57 N -0.99 0.06 0.25 2.70 1.43 -0.90 -5.02 118.68 116.19 2edy s LEU 57 Ca 0.27 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2edy s LEU 57 Cb -0.18 1.93 -0.03 0.00 0.03 0.00 0.00 46.19 47.93 2edy s LEU 57 CO 0.17 -0.52 0.22 -1.10 0.23 0.00 0.00 176.35 175.35 2edy s GLN 58 N -1.20 1.42 0.22 1.70 1.11 -1.26 0.72 119.66 122.38 2edy s GLN 58 Ca -0.12 -1.70 -0.10 0.00 0.01 0.00 0.00 55.36 53.45 2edy s GLN 58 Cb -0.03 0.31 -0.01 0.00 -1.01 0.00 0.00 33.01 32.28 2edy s GLN 58 CO 0.07 -0.51 0.38 -0.80 0.01 0.00 0.00 175.29 174.44 2edy s ASN 59 N -3.21 -0.03 -0.02 5.90 0.02 -0.17 -4.94 114.94 112.49 2edy s ASN 59 Ca 0.37 -1.00 0.02 0.00 -1.02 0.00 0.00 52.86 51.24 2edy s ASN 59 Cb 0.05 0.52 0.01 0.00 0.02 0.00 0.00 41.25 41.84 2edy s ASN 59 CO 0.16 -1.04 -0.07 -0.63 0.02 0.00 0.00 177.10 175.55 2edy s ILE 60 N -4.03 0.59 -0.12 0.60 1.01 -1.26 -1.09 121.20 116.90 2edy s ILE 60 Ca 0.24 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 2edy s ILE 60 Cb 0.01 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 41.98 2edy s ILE 60 CO 0.08 0.20 0.40 0.28 0.00 0.00 0.00 174.94 175.89 2edy s THR 61 N 0.26 0.01 -0.70 2.92 -1.32 -1.14 -5.02 115.64 110.65 2edy s THR 61 Ca -0.03 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.38 2edy s THR 61 Cb -0.08 -0.59 0.14 0.00 -1.51 0.00 0.00 72.50 70.46 2edy s THR 61 CO 0.00 -0.05 0.81 0.35 -2.21 0.00 0.00 174.62 173.52 2edy n THR 62 N 2.48 0.68 -4.36 5.08 -2.24 -1.26 -2.72 114.28 111.94 2edy n THR 62 Ca -0.15 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 2edy n THR 62 Cb 0.57 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.02 2.51 -0.02 3.42 1.11 -1.26 -4.96 116.67 117.49 2edy s ASP 63 Ca 0.10 -1.07 0.01 0.00 0.18 0.00 0.00 52.55 51.77 2edy s ASP 63 Cb 0.08 -0.12 0.08 0.00 1.07 0.00 0.00 42.92 44.02 2edy s ASP 63 CO 0.03 -0.24 0.65 0.35 1.18 0.00 0.00 175.17 177.14 2edy n THR 64 N -0.41 0.24 -3.93 -1.27 -2.24 -1.26 -4.73 114.28 100.68 2edy n THR 64 Ca -0.07 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2edy n THR 64 Cb 0.61 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.23 0.92 -0.05 -0.78 1.04 -1.26 -1.23 118.95 116.37 2edy s ARG 65 Ca 0.05 -1.08 -0.30 0.00 -1.04 0.00 0.00 55.73 53.37 2edy s ARG 65 Cb 0.04 0.33 0.09 0.00 -2.04 0.00 0.00 34.95 33.37 2edy s ARG 65 CO 0.02 -0.30 0.77 0.12 -0.04 0.00 0.00 175.30 175.86 2edy s PHE 66 N -3.91 -0.54 -0.25 5.89 5.36 -1.24 -4.92 117.98 118.37 2edy s PHE 66 Ca 0.10 0.82 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 2edy s PHE 66 Cb 0.05 0.45 0.06 0.00 -0.34 0.00 0.00 43.02 43.24 2edy s PHE 66 CO -0.07 -0.57 -0.06 0.99 -1.46 0.00 0.00 175.22 174.06 2edy s THR 67 N -1.68 1.68 1.29 0.12 2.01 -1.26 0.45 115.64 118.24 2edy s THR 67 Ca -0.06 -1.36 -0.19 0.00 0.31 0.00 0.00 61.69 60.40 2edy s THR 67 Cb -0.00 -1.93 0.32 0.00 0.01 0.00 0.00 72.50 70.90 2edy s THR 67 CO 0.03 -0.12 1.00 -0.76 -0.69 0.00 0.00 174.62 174.08 2edy s LEU 68 N 1.32 -0.09 0.33 4.42 2.01 0.23 -4.78 118.68 122.12 2edy s LEU 68 Ca -0.06 1.00 -0.18 0.00 0.01 0.00 0.00 54.13 54.90 2edy s LEU 68 Cb -0.19 -2.66 0.04 0.00 0.01 0.00 0.00 46.19 43.39 2edy s LEU 68 CO -0.06 -4.69 0.76 0.42 1.01 0.00 0.00 176.35 173.78 2edy s THR 69 N -2.51 0.00 -1.49 5.49 -4.23 -1.26 -2.71 115.64 108.93 2edy s THR 69 Ca 0.69 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 2edy s THR 69 Cb -0.16 -2.45 0.07 0.00 1.34 0.00 0.00 72.50 71.30 2edy s THR 69 CO 0.59 0.00 0.97 0.61 -0.54 0.00 0.00 174.62 176.25 2edy n GLY 70 N -0.50 -0.48 3.77 3.99 0.00 -1.24 -4.90 105.19 105.84 2edy n GLY 70 Ca -0.06 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -7.22 3.50 -0.03 0.99 1.43 0.27 -5.06 118.68 112.57 2edy s LEU 71 Ca 0.58 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 2edy s LEU 71 Cb -0.29 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 2edy s LEU 71 CO 0.82 -0.16 0.36 -0.75 0.23 0.00 0.00 176.35 176.85 2edy s LYS 72 N -3.84 3.86 0.36 1.70 2.20 -1.26 -4.31 119.74 118.45 2edy s LYS 72 Ca 0.35 0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 56.01 2edy s LYS 72 Cb -0.06 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 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 -0.97 4.21 -1.15 4.03 0.04 -0.82 -3.53 135.00 136.81 2edy s PRO 73 Ca 0.22 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2edy s PRO 73 Cb -0.16 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2edy s PRO 73 CO 0.11 -0.22 0.97 -3.47 0.04 0.00 0.00 177.00 174.44 2edy n ASP 74 N 0.43 -3.35 -3.72 6.66 2.03 -1.17 -4.85 116.55 112.58 2edy n ASP 74 Ca 0.02 -0.54 -0.13 0.00 0.52 0.00 0.00 54.79 54.66 2edy n ASP 74 Cb 0.45 -4.71 -0.14 0.00 -0.72 0.00 0.00 41.12 36.00 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 -3.32 -0.10 0.21 5.18 2.01 -1.23 -4.97 115.64 113.43 2edy s THR 75 Ca 0.18 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 2edy s THR 75 Cb -0.08 -0.33 -0.10 0.00 0.01 0.00 0.00 72.50 72.01 2edy s THR 75 CO 0.67 0.08 1.45 -0.89 -0.69 0.00 0.00 174.62 175.23 2edy s THR 76 N 1.42 2.78 -0.25 -0.82 2.01 -1.26 -2.58 115.64 116.94 2edy s THR 76 Ca -0.07 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2edy s THR 76 Cb -0.11 -3.40 0.07 0.00 0.01 0.00 0.00 72.50 69.07 2edy s THR 76 CO -0.07 0.08 0.00 -0.31 -0.69 0.00 0.00 174.62 173.63 2edy s TYR 77 N 0.35 2.12 -0.59 4.92 2.02 -1.17 -3.37 117.35 121.63 2edy s TYR 77 Ca 0.62 -1.68 -0.26 0.00 -0.37 0.00 0.00 57.07 55.37 2edy s TYR 77 Cb -0.41 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 2edy s TYR 77 CO 0.39 -0.78 2.17 0.34 -1.57 0.00 0.00 175.55 176.11 2edy s ASP 78 N 1.48 4.74 -0.12 2.29 -1.08 0.31 -1.97 116.67 122.32 2edy s ASP 78 Ca -0.01 0.59 -0.02 0.00 -0.52 0.00 0.00 52.55 52.59 2edy s ASP 78 Cb -0.18 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2edy s ASP 78 CO -0.10 -2.78 -0.04 -0.63 0.52 0.00 0.00 175.17 172.14 2edy s ILE 79 N 11.15 3.90 0.18 4.11 1.01 -1.26 -0.94 121.20 139.34 2edy s ILE 79 Ca 0.84 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.14 2edy s ILE 79 Cb -0.14 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2edy s ILE 79 CO 0.20 0.54 0.12 2.29 0.00 0.00 0.00 174.94 178.10 2edy n LYS 80 N 2.93 0.38 -3.75 2.79 2.85 -0.32 -1.49 118.16 121.55 2edy n LYS 80 Ca -0.18 -1.69 -0.10 0.00 -1.05 0.00 0.00 58.31 55.29 2edy n LYS 80 Cb 0.53 1.23 -0.05 0.00 -0.65 0.00 0.00 35.03 36.09 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 -2.56 0.07 -0.23 0.58 0.11 -1.26 -2.55 120.40 114.56 2edy s VAL 81 Ca 0.17 -0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 58.20 2edy s VAL 81 Cb 0.01 -1.43 0.07 0.00 -1.53 0.00 0.00 36.38 33.50 2edy s VAL 81 CO 0.12 -0.30 0.59 0.00 -3.33 0.00 0.00 175.10 172.18 2edy s ARG 82 N -3.86 0.63 0.20 1.54 1.70 -1.07 0.43 118.95 118.51 2edy s ARG 82 Ca 0.08 0.97 -0.28 0.00 -0.47 0.00 0.00 55.73 56.02 2edy s ARG 82 Cb 0.02 0.18 -0.08 0.00 -0.57 0.00 0.00 34.95 34.49 2edy s ARG 82 CO -0.07 -0.13 0.87 0.00 -1.08 0.00 0.00 175.30 174.90 2edy s ALA 83 N 1.06 3.38 0.02 7.88 0.00 -1.26 -1.73 121.76 131.10 2edy s ALA 83 Ca -0.06 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.47 2edy s ALA 83 Cb -0.05 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2edy s ALA 83 CO -0.10 0.22 -0.16 -1.58 0.00 0.00 0.00 175.76 174.14 2edy s TRP 84 N -1.05 2.63 0.25 0.00 0.52 0.02 -3.65 118.94 117.66 2edy s TRP 84 Ca 0.39 -0.21 0.11 0.00 0.02 0.00 0.00 56.10 56.41 2edy s TRP 84 Cb -0.25 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2edy s TRP 84 CO 0.29 0.25 -0.16 0.95 0.02 0.00 0.00 176.95 178.30 2edy s THR 85 N -0.90 2.69 0.59 2.01 -4.23 0.81 -1.58 115.64 115.03 2edy s THR 85 Ca 0.14 -2.19 0.33 0.00 -1.18 0.00 0.00 61.69 58.80 2edy s THR 85 Cb -0.11 -2.39 0.48 0.00 1.34 0.00 0.00 72.50 71.83 2edy s THR 85 CO 0.05 -0.32 1.55 0.28 -0.54 0.00 0.00 174.62 175.64 2edy h SER 86 N 2.44 0.00 0.07 3.99 0.02 -1.94 -0.52 113.55 117.61 2edy h SER 86 Ca -0.43 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2edy h SER 86 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 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 -0.09 0.00 3.45 1.79 -1.94 -3.51 116.57 116.27 2edy h LYS 87 Ca 0.53 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2edy h LYS 87 Cb 2.62 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 33.29 2edy h LYS 87 CO -0.01 -0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 2edy n GLY 88 N 1.54 2.66 3.80 3.86 0.00 -0.20 -4.59 105.19 112.25 2edy n GLY 88 Ca -0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 4.55 0.00 1.61 0.15 -1.15 -0.13 113.70 120.73 2edy s SER 89 Ca 0.00 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.55 2edy s SER 89 Cb 0.00 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2edy s SER 89 CO 0.00 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2edy n GLY 90 N -1.40 5.46 3.53 9.45 0.00 -1.24 -3.88 105.19 117.11 2edy n GLY 90 Ca -0.02 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2edy n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edy n PRO 91 N 0.00 -3.18 -3.99 1.61 -0.04 -1.26 -4.99 135.00 123.14 2edy n PRO 91 Ca 0.00 -1.76 -0.30 0.00 -0.04 0.00 0.00 63.50 61.40 2edy n PRO 91 Cb 0.00 -1.65 -0.16 0.00 -0.04 0.00 0.00 33.50 31.64 2edy n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2edy s LEU 92 N 0.00 1.84 0.77 1.53 1.43 -1.26 -4.57 118.68 118.42 2edy s LEU 92 Ca 0.72 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 2edy s LEU 92 Cb -0.07 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 2edy s LEU 92 CO 0.55 -0.10 0.40 -1.54 0.23 0.00 0.00 176.35 175.89 2edy n SER 93 N 4.76 -1.77 -4.64 2.29 3.41 0.17 -4.85 113.62 113.00 2edy n SER 93 Ca -0.16 0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2edy n SER 93 Cb 0.49 -1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 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 -2.81 3.92 0.65 4.33 0.04 -1.26 -4.36 135.00 135.51 2edy s PRO 94 Ca 0.62 1.77 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 2edy s PRO 94 Cb -0.32 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.15 2edy s PRO 94 CO 0.62 -1.14 0.41 -1.13 0.04 0.00 0.00 177.00 175.81 2edy n SER 95 N 7.97 -1.54 -0.04 6.66 3.41 -1.26 -4.86 113.62 123.95 2edy n SER 95 Ca 0.18 0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 59.43 2edy n SER 95 Cb 0.45 -1.15 -0.11 0.00 -0.26 0.00 0.00 64.21 63.14 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 -2.01 0.49 -3.14 -1.33 -5.35 -0.56 -4.91 119.36 102.55 2edy n ILE 96 Ca 0.10 -0.45 -0.14 0.00 -0.27 0.00 0.00 62.75 61.99 2edy n ILE 96 Cb 0.49 -0.27 0.07 0.00 -1.74 0.00 0.00 39.64 38.19 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 -2.26 -4.29 -2.26 6.28 6.02 -1.23 -4.91 117.38 114.73 2edy n GLN 97 Ca -0.13 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 57.18 2edy n GLN 97 Cb 0.68 -5.32 -0.03 0.00 1.02 0.00 0.00 30.24 26.59 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 -3.86 6.02 -0.37 1.08 0.15 -0.83 -4.26 113.70 111.63 2edy s SER 98 Ca 0.14 0.61 -0.29 0.00 0.70 0.00 0.00 55.95 57.12 2edy s SER 98 Cb -0.02 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2edy s SER 98 CO 0.63 -1.73 1.18 -0.60 1.20 0.00 0.00 173.24 173.92 2edy s ARG 99 N 5.60 3.88 0.82 5.44 3.52 -1.26 -3.04 118.95 133.90 2edy s ARG 99 Ca 0.62 0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 57.00 2edy s ARG 99 Cb -0.14 -3.85 -0.12 0.00 -1.56 0.00 0.00 34.95 29.28 2edy s ARG 99 CO 0.28 -1.17 -0.34 0.25 -0.81 0.00 0.00 175.30 173.51 2edy n THR 100 N 6.37 0.22 -2.12 4.11 -2.24 -1.06 -4.77 114.28 114.78 2edy n THR 100 Ca 0.13 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2edy n THR 100 Cb 0.48 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.97 4.36 -0.60 -0.78 0.00 -1.22 -3.06 119.30 116.03 2edy s MET 101 Ca 0.49 2.20 -0.27 0.00 0.00 0.00 0.00 55.69 58.12 2edy s MET 101 Cb -0.29 -3.09 -0.02 0.00 0.00 0.00 0.00 34.83 31.43 2edy s MET 101 CO 0.74 -0.20 1.85 -1.25 0.00 0.00 0.00 175.02 176.16 2edy s PRO 102 N -1.53 2.66 0.00 3.16 0.04 -1.26 -3.41 135.00 134.66 2edy s PRO 102 Ca 0.50 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2edy s PRO 102 Cb -0.39 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.77 2edy s PRO 102 CO 0.51 -2.69 0.22 1.55 0.04 0.00 0.00 177.00 176.63