#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 6.35 -0.83 1.61 0.01 -1.26 -4.99 113.70 114.60 2edy s SER 2 Ca 0.00 -0.32 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 2edy s SER 2 Cb 0.00 -2.42 0.08 0.00 0.21 0.00 0.00 66.02 63.88 2edy s SER 2 CO 0.00 -1.16 1.18 -0.55 0.41 0.00 0.00 173.24 173.11 2edy s SER 3 N 2.71 6.37 0.57 2.44 0.15 -1.26 -4.85 113.70 119.83 2edy s SER 3 Ca 0.30 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2edy s SER 3 Cb -0.13 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2edy s SER 3 CO 0.20 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 173.83 2edy n GLY 4 N 5.74 -4.23 2.90 9.45 0.00 -1.26 -4.91 105.19 112.89 2edy n GLY 4 Ca 0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2edy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edy s SER 5 N -4.82 4.35 0.24 1.61 0.01 -1.26 -5.10 113.70 108.74 2edy s SER 5 Ca 0.00 -1.80 -0.13 0.00 1.31 0.00 0.00 55.95 55.33 2edy s SER 5 Cb 0.00 -1.28 -0.00 0.00 0.21 0.00 0.00 66.02 64.95 2edy s SER 5 CO 0.00 -0.37 0.47 -0.44 0.41 0.00 0.00 173.24 173.31 2edy s SER 6 N 1.24 -0.09 0.00 2.44 0.01 -1.26 -5.16 113.70 110.88 2edy s SER 6 Ca 0.08 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2edy s SER 6 Cb -0.18 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2edy s SER 6 CO -0.14 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.00 2edy n GLY 7 N -0.37 2.20 3.77 3.44 0.00 -1.26 -4.30 105.19 108.67 2edy n GLY 7 Ca -0.02 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.90 2.56 -0.34 1.61 0.04 -1.25 -4.86 135.00 130.86 2edy s PRO 8 Ca 0.00 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2edy s PRO 8 Cb 0.00 -1.93 0.46 0.00 0.04 0.00 0.00 34.50 33.07 2edy s PRO 8 CO 0.00 -1.42 1.35 -1.13 0.04 0.00 0.00 177.00 175.84 2edy n SER 9 N -2.89 4.71 -3.80 6.66 3.41 -1.26 -3.91 113.62 116.54 2edy n SER 9 Ca 0.10 -3.78 -0.09 0.00 -0.26 0.00 0.00 58.87 54.84 2edy n SER 9 Cb 0.52 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2edy n SER 9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edy s GLY 10 N -3.17 -0.04 0.19 5.00 0.00 -1.26 -4.94 107.32 103.10 2edy s GLY 10 Ca 0.51 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.01 2edy s GLY 10 CO 0.02 -0.22 -0.17 -0.11 0.00 0.00 0.00 173.10 172.62 2edy s PHE 11 N -3.90 1.79 1.03 1.90 -0.71 -1.26 -4.36 117.98 112.46 2edy s PHE 11 Ca 0.11 -0.51 -0.13 0.00 -1.04 0.00 0.00 56.93 55.37 2edy s PHE 11 Cb -0.03 -0.86 0.20 0.00 -1.21 0.00 0.00 43.02 41.13 2edy s PHE 11 CO 0.02 0.36 1.09 -1.25 -1.34 0.00 0.00 175.22 174.10 2edy s PRO 12 N -3.18 0.17 0.40 1.99 0.04 -1.26 -4.61 135.00 128.55 2edy s PRO 12 Ca 0.19 0.43 0.01 0.00 0.04 0.00 0.00 61.00 61.67 2edy s PRO 12 Cb -0.04 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 2edy s PRO 12 CO 0.07 -2.89 0.03 1.04 0.04 0.00 0.00 177.00 175.30 2edy n GLN 13 N -4.27 0.89 -2.83 4.56 1.13 -0.86 -4.78 117.38 111.23 2edy n GLN 13 Ca 0.06 -2.99 -0.20 0.00 -1.94 0.00 0.00 57.00 51.93 2edy n GLN 13 Cb 0.58 1.02 0.01 0.00 0.11 0.00 0.00 30.24 31.95 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 -1.35 -4.91 -4.59 1.08 5.03 -1.26 -0.16 115.26 109.10 2edy n ASN 14 Ca -0.14 -0.13 -0.42 0.00 0.87 0.00 0.00 54.58 54.76 2edy n ASN 14 Cb 0.52 -4.06 -0.02 0.00 -1.02 0.00 0.00 39.78 35.20 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 -6.23 3.50 0.00 3.41 2.96 -1.26 -3.84 118.68 117.22 2edy s LEU 15 Ca 0.19 0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 2edy s LEU 15 Cb -0.09 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.34 2edy s LEU 15 CO 0.23 -1.52 0.62 0.00 -1.32 0.00 0.00 176.35 174.36 2edy n HIS 16 N 8.92 -1.64 -4.28 5.38 1.44 -1.20 -4.92 115.22 118.92 2edy n HIS 16 Ca 0.13 -1.14 -0.35 0.00 -2.01 0.00 0.00 57.72 54.35 2edy n HIS 16 Cb 0.49 0.57 -0.09 0.00 0.12 0.00 0.00 29.99 31.07 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 -2.31 4.48 -0.66 0.61 0.11 -1.26 -0.35 120.40 121.01 2edy s VAL 17 Ca 0.13 -0.18 0.22 0.00 -2.93 0.00 0.00 61.98 59.22 2edy s VAL 17 Cb -0.03 -2.91 -0.22 0.00 -1.53 0.00 0.00 36.38 31.69 2edy s VAL 17 CO 0.07 0.59 0.85 1.07 -3.33 0.00 0.00 175.10 174.34 2edy n THR 18 N 2.31 0.04 -2.66 5.04 5.66 -1.26 -4.82 114.28 118.59 2edy n THR 18 Ca -0.19 -0.18 -0.03 0.00 -3.05 0.00 0.00 64.05 60.60 2edy n THR 18 Cb 0.54 0.53 0.04 0.00 -1.55 0.00 0.00 70.33 69.88 2edy n THR 18 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2edy s GLY 19 N -3.54 -1.99 1.14 1.09 0.00 -1.26 -5.06 107.32 97.70 2edy s GLY 19 Ca 0.03 0.69 -0.15 0.00 0.00 0.00 0.00 44.72 45.29 2edy s GLY 19 CO 0.86 4.38 1.06 0.48 0.00 0.00 0.00 173.10 179.87 2edy s LEU 20 N 0.99 0.83 0.06 0.66 2.34 -1.26 -3.07 118.68 119.23 2edy s LEU 20 Ca 0.23 1.08 -0.08 0.00 0.06 0.00 0.00 54.13 55.42 2edy s LEU 20 Cb 0.14 -2.99 -0.00 0.00 -0.56 0.00 0.00 46.19 42.78 2edy s LEU 20 CO -0.11 -3.92 0.17 -0.89 -1.06 0.00 0.00 176.35 170.53 2edy s THR 21 N -2.77 0.13 0.24 5.48 2.01 0.50 -4.76 115.64 116.46 2edy s THR 21 Ca 0.68 -1.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2edy s THR 21 Cb -0.18 -1.09 0.27 0.00 0.01 0.00 0.00 72.50 71.52 2edy s THR 21 CO 0.59 -0.59 1.63 0.71 -0.69 0.00 0.00 174.62 176.27 2edy h THR 22 N 3.23 0.34 0.00 -0.82 1.35 -1.92 -3.18 112.91 111.92 2edy h THR 22 Ca -0.33 -0.03 -0.35 0.00 -0.55 0.00 0.00 66.41 65.15 2edy h THR 22 Cb 1.19 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 2edy h THR 22 CO 0.52 0.02 -2.28 -1.20 -0.25 0.00 0.00 175.52 172.33 2edy n SER 23 N -5.36 2.09 -4.98 5.36 7.64 -1.26 -2.25 113.62 114.87 2edy n SER 23 Ca 0.13 0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.81 2edy n SER 23 Cb 0.45 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.44 3.98 -0.17 0.44 -4.23 -1.20 -0.55 115.64 111.47 2edy s THR 24 Ca -0.31 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.32 2edy s THR 24 Cb 0.09 -3.40 0.08 0.00 1.34 0.00 0.00 72.50 70.61 2edy s THR 24 CO 0.48 -0.20 0.23 -0.89 -0.54 0.00 0.00 174.62 173.70 2edy s THR 25 N -2.31 -0.35 0.84 3.99 2.01 -0.92 0.19 115.64 119.09 2edy s THR 25 Ca 0.47 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.41 2edy s THR 25 Cb -0.10 -0.57 0.09 0.00 0.01 0.00 0.00 72.50 71.94 2edy s THR 25 CO 0.33 -0.07 1.10 -1.61 -0.69 0.00 0.00 174.62 173.68 2edy s GLU 26 N 2.35 1.73 0.08 4.92 2.02 -1.17 0.11 118.70 128.74 2edy s GLU 26 Ca 0.05 0.72 -0.09 0.00 0.02 0.00 0.00 54.97 55.67 2edy s GLU 26 Cb -0.14 -1.87 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 2edy s GLU 26 CO -0.10 -1.88 0.19 -0.51 0.02 0.00 0.00 175.26 172.98 2edy s LEU 27 N -5.97 1.40 -0.30 1.80 1.43 0.47 -4.21 118.68 113.31 2edy s LEU 27 Ca 0.62 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2edy s LEU 27 Cb -0.16 1.03 0.19 0.00 0.03 0.00 0.00 46.19 47.28 2edy s LEU 27 CO 0.55 -0.69 0.79 0.00 0.23 0.00 0.00 176.35 177.23 2edy s ALA 28 N -3.56 -2.93 0.41 4.21 0.00 0.53 -3.40 121.76 117.02 2edy s ALA 28 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2edy s ALA 28 Cb 0.03 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 2edy s ALA 28 CO -0.09 -1.66 0.05 1.67 0.00 0.00 0.00 175.76 175.72 2edy s TRP 29 N 2.89 2.05 0.20 0.00 -2.14 -0.90 -3.23 118.94 117.82 2edy s TRP 29 Ca 0.14 -0.95 0.11 0.00 2.66 0.00 0.00 56.10 58.06 2edy s TRP 29 Cb -0.10 -1.47 -0.04 0.00 -3.10 0.00 0.00 33.47 28.76 2edy s TRP 29 CO -0.21 0.12 -0.19 0.16 -2.66 0.00 0.00 176.95 174.17 2edy s ASP 30 N -3.66 3.72 0.73 -2.66 -4.77 0.78 -4.70 116.67 106.10 2edy s ASP 30 Ca 0.26 -0.80 -0.12 0.00 -3.30 0.00 0.00 52.55 48.59 2edy s ASP 30 Cb 0.06 -0.41 0.03 0.00 -1.09 0.00 0.00 42.92 41.51 2edy s ASP 30 CO 0.13 0.10 1.10 -2.16 0.70 0.00 0.00 175.17 175.04 2edy s PRO 31 N -2.86 2.48 0.24 2.11 0.04 -1.26 -2.03 135.00 133.73 2edy s PRO 31 Ca 0.23 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 2edy s PRO 31 Cb -0.08 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2edy s PRO 31 CO 0.12 -1.48 1.27 -1.25 0.04 0.00 0.00 177.00 175.71 2edy s PRO 32 N -4.57 4.42 0.24 0.56 0.04 -1.26 -4.45 135.00 129.98 2edy s PRO 32 Ca 0.64 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 2edy s PRO 32 Cb -0.18 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.04 2edy s PRO 32 CO 0.50 -0.16 1.04 1.33 0.04 0.00 0.00 177.00 179.75 2edy n VAL 33 N 1.95 1.58 -0.35 -0.36 0.24 -1.26 -4.51 118.33 115.62 2edy n VAL 33 Ca 0.03 -0.39 0.36 0.00 -2.04 0.00 0.00 64.34 62.30 2edy n VAL 33 Cb 0.43 -0.88 0.61 0.00 -1.47 0.00 0.00 33.84 32.53 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 2.45 0.00 0.61 1.34 -0.00 -1.92 0.12 115.31 117.92 2edy h LEU 34 Ca -0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.45 2edy h LEU 34 Cb 1.35 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.01 2edy h LEU 34 CO 0.64 0.00 -0.29 0.00 -0.00 0.00 0.00 178.44 178.79 2edy h ALA 35 N 0.83 -0.91 -1.09 0.17 0.00 -1.99 -3.38 119.26 112.89 2edy h ALA 35 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2edy h ALA 35 Cb 2.99 0.32 0.00 0.00 0.00 0.00 0.00 17.79 21.10 2edy h ALA 35 CO -0.01 -0.85 0.00 0.39 0.00 0.00 0.00 179.25 178.79 2edy n GLU 36 N -4.97 0.00 -1.23 0.00 4.71 0.40 -4.52 120.64 115.03 2edy n GLU 36 Ca -0.10 0.42 -0.42 0.00 -0.01 0.00 0.00 57.16 57.05 2edy n GLU 36 Cb 0.32 -1.32 -0.12 0.00 -1.01 0.00 0.00 31.44 29.31 2edy n GLU 36 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 2edy n ARG 37 N -1.62 0.00 0.31 3.49 1.85 -1.05 -4.70 116.66 114.94 2edy n ARG 37 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 2edy n ARG 37 Cb 0.00 -1.31 1.04 0.00 -1.05 0.00 0.00 32.46 31.15 2edy n ARG 37 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2edy h ASN 38 N 9.52 0.00 0.00 2.89 2.35 -1.86 -3.45 115.58 125.04 2edy h ASN 38 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2edy h ASN 38 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2edy h ASN 38 CO 1.12 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.51 2edy n GLY 39 N -1.20 4.64 3.91 2.83 0.00 -1.26 -5.12 105.19 108.99 2edy n GLY 39 Ca -0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 4.76 2.92 0.02 1.61 0.52 -1.26 -5.06 118.95 122.47 2edy s ARG 40 Ca 0.00 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 2edy s ARG 40 Cb 0.00 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2edy s ARG 40 CO 0.00 0.13 -0.07 0.42 0.02 0.00 0.00 175.30 175.80 2edy s ILE 41 N -2.23 3.60 -0.01 1.52 -1.09 -1.26 -4.38 121.20 117.35 2edy s ILE 41 Ca 0.41 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 2edy s ILE 41 Cb -0.07 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.21 2edy s ILE 41 CO 0.28 0.34 -0.00 2.30 -1.23 0.00 0.00 174.94 176.63 2edy n ILE 42 N 1.38 0.06 -3.82 2.92 -5.35 -0.51 -5.00 119.36 109.05 2edy n ILE 42 Ca -0.15 -0.03 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 2edy n ILE 42 Cb 0.52 -0.78 0.01 0.00 -1.74 0.00 0.00 39.64 37.65 2edy n ILE 42 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2edy s SER 43 N -3.55 -0.07 0.07 7.28 0.01 -1.25 -4.74 113.70 111.45 2edy s SER 43 Ca -0.01 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2edy s SER 43 Cb 0.00 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2edy s SER 43 CO 0.03 -1.01 -0.07 -0.31 0.41 0.00 0.00 173.24 172.29 2edy s TYR 44 N -2.63 0.76 -0.25 2.43 1.51 -1.22 -0.62 117.35 117.32 2edy s TYR 44 Ca 0.17 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.51 2edy s TYR 44 Cb -0.02 -0.45 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2edy s TYR 44 CO 0.05 -0.12 -0.03 0.99 -1.11 0.00 0.00 175.55 175.32 2edy s THR 45 N -2.41 3.15 -0.55 -0.71 2.01 -0.82 -3.05 115.64 113.26 2edy s THR 45 Ca -0.00 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 2edy s THR 45 Cb -0.03 -2.58 0.06 0.00 0.01 0.00 0.00 72.50 69.97 2edy s THR 45 CO -0.02 0.21 0.76 -0.69 -0.69 0.00 0.00 174.62 174.19 2edy s VAL 46 N 1.38 4.68 -0.37 3.82 1.01 -0.10 -2.97 120.40 127.84 2edy s VAL 46 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2edy s VAL 46 Cb -0.16 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.77 2edy s VAL 46 CO -0.03 -1.03 0.38 -0.69 0.00 0.00 0.00 175.10 173.73 2edy s VAL 47 N 3.14 5.14 -0.06 2.92 1.01 -0.94 -0.28 120.40 131.33 2edy s VAL 47 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2edy s VAL 47 Cb -0.18 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2edy s VAL 47 CO 0.12 -0.22 -0.24 0.72 0.00 0.00 0.00 175.10 175.48 2edy s PHE 48 N 2.04 2.46 -0.17 5.22 -0.71 0.33 -0.18 117.98 126.96 2edy s PHE 48 Ca 0.11 -0.70 -0.13 0.00 -1.04 0.00 0.00 56.93 55.17 2edy s PHE 48 Cb -0.17 -1.61 0.05 0.00 -1.21 0.00 0.00 43.02 40.09 2edy s PHE 48 CO 0.12 -0.20 0.45 0.50 -1.34 0.00 0.00 175.22 174.74 2edy s ARG 49 N -0.17 0.48 -0.25 1.99 3.52 0.06 -1.60 118.95 122.97 2edy s ARG 49 Ca -0.03 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.00 2edy s ARG 49 Cb -0.14 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 2edy s ARG 49 CO 0.04 -0.10 1.57 0.34 -0.81 0.00 0.00 175.30 176.33 2edy s ASP 50 N 0.76 6.38 0.00 -2.12 2.15 -1.22 0.86 116.67 123.49 2edy s ASP 50 Ca -0.04 1.48 0.01 0.00 0.43 0.00 0.00 52.55 54.43 2edy s ASP 50 Cb -0.05 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 2edy s ASP 50 CO -0.06 -1.28 0.99 2.30 -0.17 0.00 0.00 175.17 176.95 2edy n ILE 51 N 6.51 1.70 0.86 4.11 -5.35 -1.19 -0.02 119.36 125.98 2edy n ILE 51 Ca 0.18 0.42 0.09 0.00 -0.27 0.00 0.00 62.75 63.18 2edy n ILE 51 Cb 0.46 -1.40 -0.01 0.00 -1.74 0.00 0.00 39.64 36.94 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 -1.44 1.76 -4.23 7.28 3.02 -1.26 -4.99 115.26 115.40 2edy n ASN 52 Ca 0.00 -1.38 -0.13 0.00 -0.03 0.00 0.00 54.58 53.04 2edy n ASN 52 Cb 0.01 0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 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 -2.24 0.76 -0.13 6.41 0.01 0.98 -5.04 113.70 114.45 2edy s SER 53 Ca 0.15 -1.28 0.13 0.00 1.31 0.00 0.00 55.95 56.26 2edy s SER 53 Cb 0.15 0.23 0.61 0.00 0.21 0.00 0.00 66.02 67.23 2edy s SER 53 CO 0.51 -0.71 1.48 0.00 0.41 0.00 0.00 173.24 174.93 2edy n GLN 54 N -0.27 3.55 -2.82 12.44 3.00 -1.26 -4.49 117.38 127.53 2edy n GLN 54 Ca -0.03 -2.39 -0.43 0.00 -0.01 0.00 0.00 57.00 54.14 2edy n GLN 54 Cb 0.65 -1.90 -0.04 0.00 0.00 0.00 0.00 30.24 28.94 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 -2.02 3.62 -0.09 -1.09 -0.44 -1.26 -5.03 119.66 113.34 2edy s GLN 55 Ca 0.42 0.26 -0.00 0.00 -2.50 0.00 0.00 55.36 53.54 2edy s GLN 55 Cb 0.29 -3.89 -0.03 0.00 -1.64 0.00 0.00 33.01 27.74 2edy s GLN 55 CO 0.17 -1.14 -0.06 -2.00 0.50 0.00 0.00 175.29 172.76 2edy s GLU 56 N 3.65 3.02 0.05 1.67 2.12 -1.26 -3.43 118.70 124.52 2edy s GLU 56 Ca 0.37 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.07 2edy s GLU 56 Cb -0.11 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.60 2edy s GLU 56 CO 0.24 0.54 0.17 -0.51 -0.54 0.00 0.00 175.26 175.16 2edy s LEU 57 N -0.46 1.49 0.08 2.70 1.43 -0.63 -5.03 118.68 118.26 2edy s LEU 57 Ca 0.07 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2edy s LEU 57 Cb -0.12 0.88 -0.04 0.00 0.03 0.00 0.00 46.19 46.95 2edy s LEU 57 CO 0.02 -0.59 0.02 -1.10 0.23 0.00 0.00 176.35 174.94 2edy s GLN 58 N -2.89 0.73 0.22 1.70 -0.21 -1.26 -0.51 119.66 117.44 2edy s GLN 58 Ca -0.03 -1.25 -0.02 0.00 0.02 0.00 0.00 55.36 54.09 2edy s GLN 58 Cb 0.00 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.22 2edy s GLN 58 CO -0.06 -0.17 0.21 -0.80 -2.12 0.00 0.00 175.29 172.35 2edy s ASN 59 N -2.95 0.30 -0.00 5.90 0.02 0.61 -4.95 114.94 113.87 2edy s ASN 59 Ca 0.11 -1.37 0.00 0.00 -1.02 0.00 0.00 52.86 50.59 2edy s ASN 59 Cb 0.07 0.44 0.00 0.00 0.02 0.00 0.00 41.25 41.78 2edy s ASN 59 CO -0.07 -0.92 -0.00 -0.63 0.02 0.00 0.00 177.10 175.50 2edy s ILE 60 N -4.03 0.03 -0.24 0.60 1.01 -1.26 -0.93 121.20 116.38 2edy s ILE 60 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 2edy s ILE 60 Cb 0.05 -0.04 0.09 0.00 0.01 0.00 0.00 42.46 42.56 2edy s ILE 60 CO 0.13 0.02 0.55 0.28 0.00 0.00 0.00 174.94 175.93 2edy s THR 61 N 0.09 -0.33 -0.33 2.92 -1.32 -1.17 -5.01 115.64 110.49 2edy s THR 61 Ca -0.01 0.06 0.18 0.00 -1.21 0.00 0.00 61.69 60.71 2edy s THR 61 Cb -0.01 -0.83 0.18 0.00 -1.51 0.00 0.00 72.50 70.32 2edy s THR 61 CO -0.00 0.02 1.54 0.35 -2.21 0.00 0.00 174.62 174.32 2edy n THR 62 N 4.74 1.20 -3.16 5.08 -2.24 -1.26 -3.42 114.28 115.22 2edy n THR 62 Ca -0.17 0.70 -0.24 0.00 -2.27 0.00 0.00 64.05 62.07 2edy n THR 62 Cb 0.54 -1.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.07 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 -3.85 6.16 -0.03 3.42 1.01 -1.26 -4.77 116.67 117.36 2edy s ASP 63 Ca -0.02 0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.75 2edy s ASP 63 Cb 0.05 -1.93 0.14 0.00 1.01 0.00 0.00 42.92 42.19 2edy s ASP 63 CO 0.16 -0.45 0.85 0.35 0.21 0.00 0.00 175.17 176.30 2edy n THR 64 N -1.94 0.39 -4.10 -1.27 -2.24 -1.26 -4.71 114.28 99.15 2edy n THR 64 Ca -0.02 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 2edy n THR 64 Cb 0.56 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.49 0.65 0.26 -0.78 1.04 -1.26 -2.12 118.95 115.24 2edy s ARG 65 Ca 0.10 -1.14 -0.19 0.00 -1.04 0.00 0.00 55.73 53.46 2edy s ARG 65 Cb 0.07 -0.01 0.02 0.00 -2.04 0.00 0.00 34.95 32.98 2edy s ARG 65 CO 0.04 -0.05 0.64 0.12 -0.04 0.00 0.00 175.30 176.01 2edy s PHE 66 N -3.22 -0.06 -0.19 5.89 5.36 -1.22 -4.89 117.98 119.64 2edy s PHE 66 Ca 0.04 -0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 2edy s PHE 66 Cb 0.03 0.55 0.08 0.00 -0.34 0.00 0.00 43.02 43.33 2edy s PHE 66 CO -0.06 -1.14 0.16 0.99 -1.46 0.00 0.00 175.22 173.72 2edy s THR 67 N -3.93 -0.21 1.20 0.12 2.01 -1.26 0.18 115.64 113.74 2edy s THR 67 Ca 0.13 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 2edy s THR 67 Cb -0.04 -0.64 0.29 0.00 0.01 0.00 0.00 72.50 72.12 2edy s THR 67 CO 0.06 -0.26 1.03 -0.76 -0.69 0.00 0.00 174.62 174.00 2edy s LEU 68 N 2.24 0.51 0.24 4.42 2.01 0.30 -4.76 118.68 123.63 2edy s LEU 68 Ca 0.05 1.20 -0.22 0.00 0.01 0.00 0.00 54.13 55.17 2edy s LEU 68 Cb -0.16 -3.03 0.04 0.00 0.01 0.00 0.00 46.19 43.05 2edy s LEU 68 CO -0.12 -4.26 0.70 0.42 1.01 0.00 0.00 176.35 174.11 2edy s THR 69 N -2.58 0.00 -1.43 5.49 -4.23 -1.26 -2.16 115.64 109.46 2edy s THR 69 Ca 0.68 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2edy s THR 69 Cb -0.20 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 71.93 2edy s THR 69 CO 0.61 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 2edy n GLY 70 N -0.44 -0.32 3.97 3.99 0.00 -1.23 -4.92 105.19 106.24 2edy n GLY 70 Ca -0.08 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.83 4.30 0.06 0.99 1.43 0.29 -5.05 118.68 115.86 2edy s LEU 71 Ca 0.00 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.97 2edy s LEU 71 Cb -0.00 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 2edy s LEU 71 CO 0.00 -0.08 0.55 -0.75 0.23 0.00 0.00 176.35 176.30 2edy s LYS 72 N -3.98 4.17 0.37 1.70 2.20 -1.26 -4.20 119.74 118.73 2edy s LYS 72 Ca 0.34 0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 56.37 2edy s LYS 72 Cb -0.09 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 2edy s LYS 72 CO 0.29 0.63 1.20 -1.25 -0.36 0.00 0.00 175.35 175.86 2edy s PRO 73 N -1.03 4.20 -1.17 4.03 0.04 -0.95 -3.57 135.00 136.55 2edy s PRO 73 Ca 0.28 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2edy s PRO 73 Cb -0.19 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2edy s PRO 73 CO 0.18 -0.23 0.98 -3.47 0.04 0.00 0.00 177.00 174.50 2edy n ASP 74 N 0.41 -2.77 -3.74 6.66 2.03 -1.15 -4.86 116.55 113.14 2edy n ASP 74 Ca 0.02 -0.58 -0.13 0.00 0.52 0.00 0.00 54.79 54.63 2edy n ASP 74 Cb 0.45 -4.89 -0.13 0.00 -0.72 0.00 0.00 41.12 35.83 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 -3.34 -0.04 0.17 5.18 2.01 -1.23 -4.97 115.64 113.43 2edy s THR 75 Ca 0.10 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 2edy s THR 75 Cb -0.04 -0.33 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 2edy s THR 75 CO 0.69 0.05 1.43 -0.89 -0.69 0.00 0.00 174.62 175.22 2edy s THR 76 N 1.05 2.96 -0.24 -0.82 2.01 -1.26 -2.70 115.64 116.64 2edy s THR 76 Ca -0.08 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2edy s THR 76 Cb -0.09 -3.47 0.07 0.00 0.01 0.00 0.00 72.50 69.02 2edy s THR 76 CO -0.06 0.08 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.62 2edy s TYR 77 N 0.68 2.20 -0.65 4.92 2.02 -1.16 -3.16 117.35 122.21 2edy s TYR 77 Ca 0.63 -1.70 -0.26 0.00 -0.37 0.00 0.00 57.07 55.37 2edy s TYR 77 Cb -0.40 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 2edy s TYR 77 CO 0.35 -0.77 2.03 0.34 -1.57 0.00 0.00 175.55 175.93 2edy s ASP 78 N 1.46 4.97 -0.14 2.29 -1.08 0.25 -1.81 116.67 122.60 2edy s ASP 78 Ca -0.02 0.29 -0.03 0.00 -0.52 0.00 0.00 52.55 52.27 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 -0.09 -2.66 -0.04 -0.63 0.52 0.00 0.00 175.17 172.27 2edy s ILE 79 N 10.35 3.88 0.25 4.11 1.01 -1.26 -0.76 121.20 138.77 2edy s ILE 79 Ca 0.76 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2edy s ILE 79 Cb -0.12 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2edy s ILE 79 CO 0.17 0.51 0.11 2.29 0.00 0.00 0.00 174.94 178.03 2edy n LYS 80 N 3.30 0.60 -3.96 2.79 2.85 0.74 -1.61 118.16 122.87 2edy n LYS 80 Ca -0.18 -2.16 -0.09 0.00 -1.05 0.00 0.00 58.31 54.83 2edy n LYS 80 Cb 0.53 1.31 -0.05 0.00 -0.65 0.00 0.00 35.03 36.17 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 -2.60 0.01 -0.28 0.58 0.11 -1.26 -2.22 120.40 114.74 2edy s VAL 81 Ca 0.16 -1.34 -0.17 0.00 -2.93 0.00 0.00 61.98 57.70 2edy s VAL 81 Cb 0.01 -2.07 0.10 0.00 -1.53 0.00 0.00 36.38 32.89 2edy s VAL 81 CO 0.11 -0.06 0.80 0.00 -3.33 0.00 0.00 175.10 172.62 2edy s ARG 82 N -3.99 0.60 0.38 1.54 1.70 -1.16 0.55 118.95 118.57 2edy s ARG 82 Ca 0.20 0.99 -0.24 0.00 -0.47 0.00 0.00 55.73 56.21 2edy s ARG 82 Cb 0.00 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 34.43 2edy s ARG 82 CO 0.06 -0.12 1.00 0.00 -1.08 0.00 0.00 175.30 175.16 2edy s ALA 83 N 1.36 3.12 0.02 7.88 0.00 -1.26 -1.95 121.76 130.93 2edy s ALA 83 Ca -0.08 0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.57 2edy s ALA 83 Cb -0.05 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2edy s ALA 83 CO -0.16 -0.03 -0.26 -1.58 0.00 0.00 0.00 175.76 173.73 2edy s TRP 84 N -1.71 2.26 0.24 0.00 0.52 0.21 -3.43 118.94 117.03 2edy s TRP 84 Ca 0.56 -0.42 0.11 0.00 0.02 0.00 0.00 56.10 56.38 2edy s TRP 84 Cb -0.19 -1.39 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2edy s TRP 84 CO 0.24 0.07 -0.19 0.95 0.02 0.00 0.00 176.95 178.04 2edy s THR 85 N -0.73 2.56 0.61 2.01 -4.23 -0.14 -1.42 115.64 114.30 2edy s THR 85 Ca 0.11 -2.19 0.25 0.00 -1.18 0.00 0.00 61.69 58.67 2edy s THR 85 Cb -0.10 -2.30 0.36 0.00 1.34 0.00 0.00 72.50 71.80 2edy s THR 85 CO 0.01 -0.28 1.35 -1.28 -0.54 0.00 0.00 174.62 173.88 2edy h SER 86 N 2.60 0.00 0.04 3.99 0.87 -1.95 0.68 113.55 119.78 2edy h SER 86 Ca -0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2edy h SER 86 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2edy h SER 86 CO 0.56 0.00 -0.02 0.11 -0.53 0.00 0.00 176.83 176.94 2edy h LYS 87 N 0.00 -0.06 0.00 2.24 1.79 -1.94 -3.51 116.57 115.09 2edy h LYS 87 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2edy h LYS 87 Cb 2.64 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 33.30 2edy h LYS 87 CO -0.00 -0.04 0.00 0.41 -1.08 0.00 0.00 179.45 178.74 2edy n GLY 88 N 1.65 1.51 3.39 3.86 0.00 0.23 -4.89 105.19 110.94 2edy n GLY 88 Ca -0.01 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 1.89 0.00 1.61 1.04 -1.26 -0.97 113.70 118.01 2edy s SER 89 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2edy s SER 89 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2edy s SER 89 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2edy n GLY 90 N -0.57 5.28 3.46 7.32 0.00 -1.22 -3.87 105.19 115.58 2edy n GLY 90 Ca -0.02 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.14 -4.07 1.61 -0.04 -1.25 -4.98 135.00 123.13 2edy n PRO 91 Ca 0.00 -1.73 -0.32 0.00 -0.04 0.00 0.00 63.50 61.41 2edy n PRO 91 Cb 0.00 -1.62 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.78 0.75 1.53 1.43 -1.26 -4.60 118.68 119.31 2edy s LEU 92 Ca 0.70 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 2edy s LEU 92 Cb -0.07 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 2edy s LEU 92 CO 0.54 -0.12 0.18 -1.54 0.23 0.00 0.00 176.35 175.64 2edy n SER 93 N 4.55 -2.52 -4.65 2.29 3.41 0.19 -4.83 113.62 112.06 2edy n SER 93 Ca -0.16 0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 2edy n SER 93 Cb 0.45 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.30 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 -2.41 4.01 0.59 4.33 0.04 -1.26 -4.33 135.00 135.97 2edy s PRO 94 Ca 0.59 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 63.30 2edy s PRO 94 Cb -0.33 -3.97 -0.08 0.00 0.04 0.00 0.00 34.50 30.16 2edy s PRO 94 CO 0.64 -1.03 0.56 -1.13 0.04 0.00 0.00 177.00 176.08 2edy n SER 95 N 7.65 -0.92 -0.04 6.66 3.41 -1.26 -4.85 113.62 124.26 2edy n SER 95 Ca 0.17 0.73 -0.01 0.00 -0.26 0.00 0.00 58.87 59.50 2edy n SER 95 Cb 0.44 -1.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 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 -1.77 0.57 -3.22 -1.33 -5.35 -0.63 -4.91 119.36 102.71 2edy n ILE 96 Ca 0.12 -0.51 -0.15 0.00 -0.27 0.00 0.00 62.75 61.94 2edy n ILE 96 Cb 0.48 -0.28 0.07 0.00 -1.74 0.00 0.00 39.64 38.17 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 -2.33 -5.66 -1.93 6.28 6.02 -1.21 -4.89 117.38 113.65 2edy n GLN 97 Ca -0.15 0.71 -0.43 0.00 -0.01 0.00 0.00 57.00 57.12 2edy n GLN 97 Cb 0.73 -5.32 -0.03 0.00 1.02 0.00 0.00 30.24 26.64 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 -4.05 5.82 -0.41 1.08 0.15 -0.75 -4.11 113.70 111.42 2edy s SER 98 Ca 0.05 1.40 -0.28 0.00 0.70 0.00 0.00 55.95 57.82 2edy s SER 98 Cb -0.02 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2edy s SER 98 CO 0.61 -1.75 1.08 -0.60 1.20 0.00 0.00 173.24 173.78 2edy s ARG 99 N 5.78 3.84 0.72 5.44 3.52 -1.26 -2.97 118.95 134.02 2edy s ARG 99 Ca 0.83 0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 56.98 2edy s ARG 99 Cb -0.24 -3.84 -0.09 0.00 -1.56 0.00 0.00 34.95 29.22 2edy s ARG 99 CO 0.34 -1.16 0.03 0.25 -0.81 0.00 0.00 175.30 173.95 2edy n THR 100 N 6.38 0.78 -2.09 4.11 -2.24 -1.10 -4.80 114.28 115.33 2edy n THR 100 Ca 0.11 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2edy n THR 100 Cb 0.48 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.08 4.33 -0.66 -0.78 0.00 -1.24 -2.91 119.30 115.97 2edy s MET 101 Ca 0.57 2.24 -0.26 0.00 0.00 0.00 0.00 55.69 58.24 2edy s MET 101 Cb -0.35 -3.06 -0.03 0.00 0.00 0.00 0.00 34.83 31.39 2edy s MET 101 CO 0.66 -0.22 1.88 -1.25 0.00 0.00 0.00 175.02 176.09 2edy s PRO 102 N -1.82 2.61 0.00 3.16 0.04 -1.26 -3.44 135.00 134.29 2edy s PRO 102 Ca 0.49 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2edy s PRO 102 Cb -0.40 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2edy s PRO 102 CO 0.54 -2.85 0.17 1.55 0.04 0.00 0.00 177.00 176.45