#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy h SER 2 N 0.00 -1.59 -1.99 1.61 0.87 -2.08 -3.42 113.55 106.95 2edy h SER 2 Ca 0.00 0.29 -0.60 0.00 -1.23 0.00 0.00 61.79 60.25 2edy h SER 2 Cb 0.00 0.77 -0.13 0.00 -0.44 0.00 0.00 62.40 62.59 2edy h SER 2 CO 0.00 -0.29 -0.64 -0.44 -0.53 0.00 0.00 176.83 174.93 2edy s SER 3 N -5.31 3.62 0.00 6.23 0.01 -1.26 -5.11 113.70 111.87 2edy s SER 3 Ca -0.14 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2edy s SER 3 Cb 0.16 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2edy s SER 3 CO 0.68 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2edy n GLY 4 N -0.85 3.99 3.51 3.44 0.00 -1.26 -5.00 105.19 109.02 2edy n GLY 4 Ca -0.05 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 6.56 0.36 1.61 0.15 -1.26 -4.93 113.70 116.19 2edy s SER 5 Ca 0.00 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 54.91 2edy s SER 5 Cb 0.00 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2edy s SER 5 CO 0.00 -1.32 0.52 -0.94 1.20 0.00 0.00 173.24 172.70 2edy s SER 6 N 4.40 0.89 0.50 5.45 1.04 -1.26 -5.14 113.70 119.58 2edy s SER 6 Ca 0.40 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2edy s SER 6 Cb -0.02 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2edy s SER 6 CO -0.10 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.37 2edy n GLY 7 N -0.58 -3.65 3.77 7.32 0.00 -1.26 -4.89 105.19 105.90 2edy n GLY 7 Ca -0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.80 3.20 -0.56 1.61 0.04 -1.25 -4.85 135.00 128.38 2edy s PRO 8 Ca 0.00 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2edy s PRO 8 Cb 0.00 -1.99 0.41 0.00 0.04 0.00 0.00 34.50 32.96 2edy s PRO 8 CO 0.00 -0.96 1.53 0.43 0.04 0.00 0.00 177.00 178.04 2edy n SER 9 N -1.61 6.01 -3.57 6.66 7.64 -1.26 -3.73 113.62 123.75 2edy n SER 9 Ca 0.11 -3.77 -0.07 0.00 1.01 0.00 0.00 58.87 56.15 2edy n SER 9 Cb 0.51 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.59 -0.29 0.21 0.23 0.00 -1.26 -4.82 107.32 98.80 2edy s GLY 10 Ca 0.52 1.74 0.08 0.00 0.00 0.00 0.00 44.72 47.06 2edy s GLY 10 CO -0.19 0.73 0.02 -0.11 0.00 0.00 0.00 173.10 173.54 2edy s PHE 11 N -1.97 2.82 1.05 1.90 -0.71 -1.26 -4.57 117.98 115.25 2edy s PHE 11 Ca 0.04 -0.16 -0.14 0.00 -1.04 0.00 0.00 56.93 55.63 2edy s PHE 11 Cb -0.01 -1.33 0.22 0.00 -1.21 0.00 0.00 43.02 40.69 2edy s PHE 11 CO -0.04 0.55 1.10 -1.25 -1.34 0.00 0.00 175.22 174.24 2edy s PRO 12 N -3.24 -0.01 0.45 1.99 0.04 -1.26 -4.69 135.00 128.27 2edy s PRO 12 Ca 0.29 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2edy s PRO 12 Cb -0.08 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.76 2edy s PRO 12 CO 0.20 -3.00 0.03 1.04 0.04 0.00 0.00 177.00 175.31 2edy n GLN 13 N -4.34 0.80 -2.20 4.56 1.13 -1.15 -4.76 117.38 111.42 2edy n GLN 13 Ca 0.07 -3.37 -0.21 0.00 -1.94 0.00 0.00 57.00 51.55 2edy n GLN 13 Cb 0.58 1.12 -0.03 0.00 0.11 0.00 0.00 30.24 32.02 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 -5.81 -4.58 1.08 5.03 -1.26 -0.40 115.26 107.97 2edy n ASN 14 Ca -0.16 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 54.99 2edy n ASN 14 Cb 0.59 -4.90 -0.03 0.00 -1.02 0.00 0.00 39.78 34.42 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 -5.68 3.43 0.00 3.41 2.96 -1.26 -3.74 118.68 117.79 2edy s LEU 15 Ca 0.00 0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 2edy s LEU 15 Cb 0.00 -3.11 0.05 0.00 0.50 0.00 0.00 46.19 43.63 2edy s LEU 15 CO 0.00 -1.64 0.69 0.00 -1.32 0.00 0.00 176.35 174.08 2edy n HIS 16 N 9.25 -2.16 -3.92 5.38 1.44 -1.12 -4.94 115.22 119.16 2edy n HIS 16 Ca 0.12 -1.70 -0.36 0.00 -2.01 0.00 0.00 57.72 53.77 2edy n HIS 16 Cb 0.49 0.80 -0.08 0.00 0.12 0.00 0.00 29.99 31.33 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 -2.24 5.18 -1.73 0.61 0.11 -1.26 -0.81 120.40 120.26 2edy s VAL 17 Ca 0.15 0.10 0.22 0.00 -2.93 0.00 0.00 61.98 59.51 2edy s VAL 17 Cb -0.04 -3.30 -0.07 0.00 -1.53 0.00 0.00 36.38 31.44 2edy s VAL 17 CO 0.11 0.53 1.02 1.07 -3.33 0.00 0.00 175.10 174.50 2edy n THR 18 N 2.82 0.00 0.00 5.04 5.66 -1.26 -4.85 114.28 121.69 2edy n THR 18 Ca -0.18 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2edy n THR 18 Cb 0.53 1.19 0.00 0.00 -1.55 0.00 0.00 70.33 70.50 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 1.42 -1.79 3.55 1.09 0.00 -1.26 -5.05 105.19 103.15 2edy n GLY 19 Ca 0.08 0.91 -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 0.66 0.03 0.99 0.05 -1.26 -3.00 118.68 116.15 2edy s LEU 20 Ca 0.00 0.96 -0.05 0.00 0.05 0.00 0.00 54.13 55.09 2edy s LEU 20 Cb 0.00 -2.79 -0.01 0.00 -2.05 0.00 0.00 46.19 41.33 2edy s LEU 20 CO 0.00 -4.07 0.07 -0.89 -0.55 0.00 0.00 176.35 170.92 2edy s THR 21 N -2.79 0.13 0.30 5.48 2.01 0.32 -4.76 115.64 116.32 2edy s THR 21 Ca 0.69 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.70 2edy s THR 21 Cb -0.15 -0.75 0.29 0.00 0.01 0.00 0.00 72.50 71.90 2edy s THR 21 CO 0.58 -0.57 1.72 0.71 -0.69 0.00 0.00 174.62 176.37 2edy h THR 22 N 3.90 0.56 0.00 -0.82 1.35 -1.91 -3.15 112.91 112.84 2edy h THR 22 Ca -0.32 -0.18 -0.27 0.00 -0.55 0.00 0.00 66.41 65.09 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 0.48 0.10 -1.99 -1.54 -0.25 0.00 0.00 175.52 172.32 2edy n SER 23 N -4.94 2.43 -4.97 5.36 3.41 -1.26 -1.11 113.62 112.54 2edy n SER 23 Ca 0.23 -0.04 -0.22 0.00 -0.26 0.00 0.00 58.87 58.59 2edy n SER 23 Cb 0.65 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.34 2.15 -0.17 6.66 -4.23 -1.19 -0.41 115.64 116.10 2edy s THR 24 Ca -0.24 -1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 2edy s THR 24 Cb 0.07 -2.35 0.07 0.00 1.34 0.00 0.00 72.50 71.63 2edy s THR 24 CO 0.39 0.00 0.41 -0.89 -0.54 0.00 0.00 174.62 173.98 2edy s THR 25 N -2.64 -0.17 0.50 3.99 2.01 -1.12 0.12 115.64 118.33 2edy s THR 25 Ca 0.51 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.57 2edy s THR 25 Cb -0.05 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2edy s THR 25 CO 0.31 0.05 0.81 -1.61 -0.69 0.00 0.00 174.62 173.49 2edy s GLU 26 N 1.69 3.42 0.06 4.92 2.02 -1.16 0.16 118.70 129.82 2edy s GLU 26 Ca -0.08 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.03 2edy s GLU 26 Cb -0.09 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 2edy s GLU 26 CO -0.13 -0.31 0.07 -0.51 0.02 0.00 0.00 175.26 174.41 2edy s LEU 27 N -4.79 1.98 -0.30 1.80 1.43 0.28 -4.08 118.68 115.00 2edy s LEU 27 Ca 0.49 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2edy s LEU 27 Cb -0.10 0.58 0.18 0.00 0.03 0.00 0.00 46.19 46.87 2edy s LEU 27 CO 0.45 -0.64 0.72 0.00 0.23 0.00 0.00 176.35 177.11 2edy s ALA 28 N -3.73 -2.49 0.41 4.21 0.00 0.01 -3.40 121.76 116.78 2edy s ALA 28 Ca 0.05 1.85 0.05 0.00 0.00 0.00 0.00 51.96 53.90 2edy s ALA 28 Cb 0.06 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2edy s ALA 28 CO -0.10 -1.28 0.17 -2.67 0.00 0.00 0.00 175.76 171.88 2edy n TRP 29 N 5.41 0.04 -4.41 0.00 2.14 -0.44 -2.77 117.44 117.41 2edy n TRP 29 Ca -0.04 -2.73 -0.21 0.00 2.07 0.00 0.00 57.50 56.59 2edy n TRP 29 Cb 0.51 0.03 -0.10 0.00 -0.81 0.00 0.00 31.31 30.94 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 -3.57 2.89 0.62 -0.67 1.01 0.47 -4.67 116.67 112.73 2edy s ASP 30 Ca 0.23 -1.11 -0.17 0.00 0.71 0.00 0.00 52.55 52.22 2edy s ASP 30 Cb 0.01 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 2edy s ASP 30 CO 0.17 -0.22 1.12 -2.16 0.21 0.00 0.00 175.17 174.29 2edy s PRO 31 N -3.66 3.00 -0.11 8.23 0.04 -1.26 -2.95 135.00 138.28 2edy s PRO 31 Ca 0.27 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 2edy s PRO 31 Cb 0.01 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2edy s PRO 31 CO 0.11 -1.11 1.54 -1.25 0.04 0.00 0.00 177.00 176.33 2edy s PRO 32 N -3.81 4.13 0.08 0.56 0.04 -1.26 -4.47 135.00 130.26 2edy s PRO 32 Ca 0.69 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 63.41 2edy s PRO 32 Cb -0.22 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 30.24 2edy s PRO 32 CO 0.36 -0.88 0.65 1.33 0.04 0.00 0.00 177.00 178.51 2edy n VAL 33 N 5.60 0.76 0.11 -0.36 0.24 -1.26 -4.27 118.33 119.15 2edy n VAL 33 Ca 0.17 -0.19 0.15 0.00 -2.04 0.00 0.00 64.34 62.43 2edy n VAL 33 Cb 0.44 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 33.20 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 1.66 0.00 0.15 1.34 8.10 -1.91 -0.76 115.31 123.88 2edy h LEU 34 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.66 2edy h LEU 34 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2edy h LEU 34 CO 0.49 0.00 -0.07 0.00 -4.11 0.00 0.00 178.44 174.75 2edy h ALA 35 N 0.61 -0.51 0.30 0.17 0.00 -2.02 -3.38 119.26 114.42 2edy h ALA 35 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2edy h ALA 35 Cb 1.98 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2edy h ALA 35 CO -0.00 -0.50 -0.32 0.93 0.00 0.00 0.00 179.25 179.36 2edy h GLU 36 N -0.37 -0.60 -6.11 0.00 4.39 -1.46 -3.43 114.58 107.00 2edy h GLU 36 Ca -0.02 0.04 -0.66 0.00 0.34 0.00 0.00 59.36 59.06 2edy h GLU 36 Cb 0.15 0.14 0.11 0.00 -0.10 0.00 0.00 28.75 29.05 2edy h GLU 36 CO 0.03 -0.40 -0.36 2.89 -1.16 0.00 0.00 179.01 180.01 2edy n ARG 37 N -4.32 0.32 -0.58 2.33 -4.01 -0.85 -4.54 116.66 105.01 2edy n ARG 37 Ca -0.07 0.11 0.08 0.00 -1.04 0.00 0.00 57.85 56.93 2edy n ARG 37 Cb 0.29 -1.21 0.30 0.00 -3.04 0.00 0.00 32.46 28.80 2edy n ARG 37 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2edy n ASN 38 N 1.81 4.45 0.00 2.89 3.02 -1.26 -4.87 115.26 121.30 2edy n ASN 38 Ca 0.16 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 2edy n ASN 38 Cb 0.26 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.13 0.10 3.75 7.41 0.00 -1.26 -4.91 105.19 110.15 2edy n GLY 39 Ca 0.23 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 2.65 -0.15 1.61 1.81 -1.26 -5.02 118.95 116.59 2edy s ARG 40 Ca 0.00 1.73 -0.05 0.00 -1.72 0.00 0.00 55.73 55.69 2edy s ARG 40 Cb 0.00 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 2edy s ARG 40 CO 0.00 -1.44 0.02 0.42 -0.68 0.00 0.00 175.30 173.63 2edy s ILE 41 N -1.86 4.44 -0.19 1.52 -1.09 -1.26 -4.42 121.20 118.34 2edy s ILE 41 Ca 0.75 -0.17 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 2edy s ILE 41 Cb -0.28 -2.95 -0.17 0.00 -1.58 0.00 0.00 42.46 37.48 2edy s ILE 41 CO 0.39 0.51 -0.08 2.30 -1.23 0.00 0.00 174.94 176.83 2edy n ILE 42 N 3.12 1.20 -3.86 2.92 -5.35 -0.53 -5.02 119.36 111.84 2edy n ILE 42 Ca -0.17 -0.58 -0.03 0.00 -0.27 0.00 0.00 62.75 61.69 2edy n ILE 42 Cb 0.53 -0.95 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 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 -5.64 -0.02 0.20 7.28 0.01 -1.25 -4.78 113.70 109.50 2edy s SER 43 Ca -0.20 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2edy s SER 43 Cb 0.06 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.75 2edy s SER 43 CO 0.58 -1.00 0.01 -0.31 0.41 0.00 0.00 173.24 172.93 2edy s TYR 44 N -2.32 1.34 -0.21 2.43 1.51 -1.16 -0.44 117.35 118.50 2edy s TYR 44 Ca 0.20 -1.00 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 2edy s TYR 44 Cb -0.02 -0.77 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 2edy s TYR 44 CO 0.05 -0.17 -0.09 0.99 -1.11 0.00 0.00 175.55 175.22 2edy s THR 45 N -3.60 1.63 -0.56 -0.71 2.01 -0.62 -3.23 115.64 110.58 2edy s THR 45 Ca 0.26 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 2edy s THR 45 Cb 0.06 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.86 2edy s THR 45 CO 0.06 0.08 0.81 -0.69 -0.69 0.00 0.00 174.62 174.20 2edy s VAL 46 N 1.38 4.58 -0.38 3.82 1.01 -0.42 -2.74 120.40 127.66 2edy s VAL 46 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2edy s VAL 46 Cb -0.17 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2edy s VAL 46 CO -0.07 -1.07 0.44 -0.69 0.00 0.00 0.00 175.10 173.70 2edy s VAL 47 N 3.40 5.09 -0.08 2.92 1.01 -0.90 -0.28 120.40 131.56 2edy s VAL 47 Ca 0.22 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.22 2edy s VAL 47 Cb -0.17 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2edy s VAL 47 CO 0.14 -0.27 -0.24 0.72 0.00 0.00 0.00 175.10 175.45 2edy s PHE 48 N 2.19 2.46 -0.14 5.22 -0.71 0.45 -0.07 117.98 127.38 2edy s PHE 48 Ca 0.14 -0.86 -0.15 0.00 -1.04 0.00 0.00 56.93 55.02 2edy s PHE 48 Cb -0.16 -1.63 0.04 0.00 -1.21 0.00 0.00 43.02 40.06 2edy s PHE 48 CO 0.13 -0.31 0.41 0.50 -1.34 0.00 0.00 175.22 174.61 2edy s ARG 49 N 0.09 0.51 -0.39 1.99 3.52 -0.01 -1.94 118.95 122.73 2edy s ARG 49 Ca -0.11 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 2edy s ARG 49 Cb -0.16 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 2edy s ARG 49 CO 0.06 -0.08 1.40 0.34 -0.81 0.00 0.00 175.30 176.22 2edy s ASP 50 N 0.04 6.38 0.14 -2.12 2.15 -1.25 0.16 116.67 122.17 2edy s ASP 50 Ca -0.02 0.91 0.08 0.00 0.43 0.00 0.00 52.55 53.96 2edy s ASP 50 Cb -0.03 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.50 2edy s ASP 50 CO 0.01 -1.38 1.19 2.30 -0.17 0.00 0.00 175.17 177.13 2edy n ILE 51 N 6.93 1.34 0.25 4.11 -5.35 -1.20 0.41 119.36 125.85 2edy n ILE 51 Ca 0.16 0.61 0.11 0.00 -0.27 0.00 0.00 62.75 63.36 2edy n ILE 51 Cb 0.48 -1.61 -0.05 0.00 -1.74 0.00 0.00 39.64 36.72 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 -1.76 0.49 -4.72 7.28 3.02 -1.26 -4.97 115.26 113.34 2edy n ASN 52 Ca -0.01 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2edy n ASN 52 Cb 0.10 1.10 -0.08 0.00 -0.61 0.00 0.00 39.78 40.30 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 -4.52 4.06 -0.11 6.41 0.01 0.16 -5.05 113.70 114.66 2edy s SER 53 Ca -0.01 -1.67 0.14 0.00 1.31 0.00 0.00 55.95 55.72 2edy s SER 53 Cb 0.13 0.56 0.46 0.00 0.21 0.00 0.00 66.02 67.38 2edy s SER 53 CO 0.84 -0.88 1.37 0.00 0.41 0.00 0.00 173.24 174.98 2edy n GLN 54 N -1.25 2.97 -2.95 12.44 0.00 -1.26 -4.64 117.38 122.68 2edy n GLN 54 Ca -0.19 -2.55 -0.43 0.00 0.00 0.00 0.00 57.00 53.83 2edy n GLN 54 Cb 0.67 -1.64 -0.05 0.00 0.00 0.00 0.00 30.24 29.22 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 -2.11 3.28 -0.00 2.61 2.00 -1.26 -5.04 119.66 119.14 2edy s GLN 55 Ca 0.35 -0.41 -0.11 0.00 -2.00 0.00 0.00 55.36 53.19 2edy s GLN 55 Cb 0.26 -4.04 -0.05 0.00 0.80 0.00 0.00 33.01 29.97 2edy s GLN 55 CO 0.12 -1.34 0.33 -2.00 -0.50 0.00 0.00 175.29 171.90 2edy s GLU 56 N 3.45 3.74 0.02 1.67 2.12 -1.26 -3.90 118.70 124.53 2edy s GLU 56 Ca 0.26 0.18 -0.10 0.00 0.36 0.00 0.00 54.97 55.67 2edy s GLU 56 Cb -0.14 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2edy s GLU 56 CO 0.18 0.67 0.19 -0.51 -0.54 0.00 0.00 175.26 175.25 2edy s LEU 57 N -1.35 1.35 0.08 2.70 1.43 -0.82 -5.03 118.68 117.04 2edy s LEU 57 Ca 0.25 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2edy s LEU 57 Cb -0.15 0.91 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 2edy s LEU 57 CO 0.13 -0.47 0.06 -1.10 0.23 0.00 0.00 176.35 175.19 2edy s GLN 58 N -1.95 0.76 0.23 1.70 -0.21 -1.26 -0.41 119.66 118.52 2edy s GLN 58 Ca -0.10 -1.20 -0.00 0.00 0.02 0.00 0.00 55.36 54.08 2edy s GLN 58 Cb -0.04 0.26 -0.04 0.00 1.00 0.00 0.00 33.01 34.19 2edy s GLN 58 CO -0.01 -0.19 0.18 -0.80 -2.12 0.00 0.00 175.29 172.35 2edy s ASN 59 N -2.93 0.41 -0.00 5.90 0.02 0.62 -4.96 114.94 114.00 2edy s ASN 59 Ca 0.10 -1.43 -0.01 0.00 -1.02 0.00 0.00 52.86 50.50 2edy s ASN 59 Cb 0.07 0.42 -0.00 0.00 0.02 0.00 0.00 41.25 41.76 2edy s ASN 59 CO -0.07 -0.90 0.02 -0.63 0.02 0.00 0.00 177.10 175.54 2edy s ILE 60 N -4.01 0.01 -0.23 0.60 1.01 -1.26 -1.31 121.20 116.01 2edy s ILE 60 Ca 0.38 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 2edy s ILE 60 Cb 0.06 -0.07 0.07 0.00 0.01 0.00 0.00 42.46 42.52 2edy s ILE 60 CO 0.15 -0.06 0.67 0.28 0.00 0.00 0.00 174.94 175.98 2edy s THR 61 N -0.18 0.00 -2.00 2.92 -1.32 -1.20 -5.02 115.64 108.85 2edy s THR 61 Ca -0.02 -0.01 0.19 0.00 -1.21 0.00 0.00 61.69 60.64 2edy s THR 61 Cb -0.01 -0.95 0.53 0.00 -1.51 0.00 0.00 72.50 70.56 2edy s THR 61 CO -0.00 -0.00 1.64 0.35 -2.21 0.00 0.00 174.62 174.40 2edy n THR 62 N 2.49 0.00 -4.10 5.08 -2.24 -1.26 -2.98 114.28 111.27 2edy n THR 62 Ca -0.15 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.41 2edy n THR 62 Cb 0.55 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.69 5.21 -0.02 3.42 1.01 -1.26 -4.89 116.67 118.45 2edy s ASP 63 Ca 0.28 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 53.14 2edy s ASP 63 Cb 0.13 -1.16 0.07 0.00 1.01 0.00 0.00 42.92 42.96 2edy s ASP 63 CO 0.22 -0.10 0.69 0.35 0.21 0.00 0.00 175.17 176.53 2edy n THR 64 N -1.15 0.20 -4.08 -1.27 -2.24 -1.26 -4.74 114.28 99.74 2edy n THR 64 Ca -0.06 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2edy n THR 64 Cb 0.59 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.29 1.15 0.17 -0.78 1.70 -1.26 -1.32 118.95 117.31 2edy s ARG 65 Ca 0.04 -1.38 -0.24 0.00 -0.47 0.00 0.00 55.73 53.68 2edy s ARG 65 Cb 0.03 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.79 2edy s ARG 65 CO 0.02 -0.39 0.86 0.12 -1.08 0.00 0.00 175.30 174.82 2edy s PHE 66 N -4.05 -0.21 -0.19 5.89 5.36 -1.22 -4.89 117.98 118.67 2edy s PHE 66 Ca 0.26 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.07 2edy s PHE 66 Cb 0.05 0.64 0.06 0.00 -0.34 0.00 0.00 43.02 43.43 2edy s PHE 66 CO 0.05 -0.91 0.07 0.99 -1.46 0.00 0.00 175.22 173.97 2edy s THR 67 N -3.47 0.17 1.23 0.12 2.01 -1.26 1.00 115.64 115.44 2edy s THR 67 Ca 0.10 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 2edy s THR 67 Cb -0.03 -0.81 0.31 0.00 0.01 0.00 0.00 72.50 71.98 2edy s THR 67 CO 0.01 -0.30 1.00 -0.76 -0.69 0.00 0.00 174.62 173.88 2edy s LEU 68 N 2.02 0.36 0.16 4.42 2.01 0.43 -4.79 118.68 123.28 2edy s LEU 68 Ca 0.02 1.35 -0.23 0.00 0.01 0.00 0.00 54.13 55.28 2edy s LEU 68 Cb -0.16 -3.14 0.07 0.00 0.01 0.00 0.00 46.19 42.96 2edy s LEU 68 CO -0.11 -4.49 0.61 0.42 1.01 0.00 0.00 176.35 173.78 2edy s THR 69 N -2.42 0.00 -0.76 5.49 -4.23 -1.26 -2.81 115.64 109.65 2edy s THR 69 Ca 0.69 -0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 2edy s THR 69 Cb -0.23 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2edy s THR 69 CO 0.64 0.00 0.54 0.61 -0.54 0.00 0.00 174.62 175.87 2edy n GLY 70 N -0.38 0.12 3.74 3.99 0.00 -1.24 -4.96 105.19 106.45 2edy n GLY 70 Ca -0.16 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.20 3.31 -0.07 0.99 1.43 0.45 -5.06 118.68 115.53 2edy s LEU 71 Ca 0.27 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 2edy s LEU 71 Cb -0.12 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2edy s LEU 71 CO 0.33 -0.25 0.21 -0.75 0.23 0.00 0.00 176.35 176.12 2edy s LYS 72 N -3.84 3.54 0.42 1.70 2.20 -1.26 -4.28 119.74 118.22 2edy s LYS 72 Ca 0.37 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.68 2edy s LYS 72 Cb -0.04 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 2edy s LYS 72 CO 0.23 0.74 1.18 -1.25 -0.36 0.00 0.00 175.35 175.89 2edy s PRO 73 N -1.23 3.94 -1.12 4.03 0.04 -0.27 -3.61 135.00 136.77 2edy s PRO 73 Ca 0.19 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2edy s PRO 73 Cb -0.13 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2edy s PRO 73 CO 0.09 -0.42 0.95 -3.47 0.04 0.00 0.00 177.00 174.18 2edy n ASP 74 N -0.12 -3.12 -3.74 6.66 2.03 -1.04 -4.87 116.55 112.35 2edy n ASP 74 Ca 0.05 -0.54 -0.12 0.00 0.52 0.00 0.00 54.79 54.70 2edy n ASP 74 Cb 0.47 -4.66 -0.13 0.00 -0.72 0.00 0.00 41.12 36.08 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 -0.03 0.18 5.18 2.01 -1.24 -4.97 115.64 113.45 2edy s THR 75 Ca 0.15 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 2edy s THR 75 Cb -0.06 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.97 2edy s THR 75 CO 0.66 0.05 1.36 -0.89 -0.69 0.00 0.00 174.62 175.11 2edy s THR 76 N 1.03 3.15 -0.24 -0.82 2.01 -1.26 -2.57 115.64 116.94 2edy s THR 76 Ca -0.07 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 62.83 2edy s THR 76 Cb -0.08 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.91 2edy s THR 76 CO -0.07 0.11 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.65 2edy s TYR 77 N 0.45 2.09 -0.62 4.92 2.02 -1.15 -3.23 117.35 121.83 2edy s TYR 77 Ca 0.60 -1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 55.43 2edy s TYR 77 Cb -0.37 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2edy s TYR 77 CO 0.36 -0.76 2.08 0.34 -1.57 0.00 0.00 175.55 176.00 2edy s ASP 78 N 1.50 4.90 -0.11 2.29 -1.08 0.43 -1.83 116.67 122.76 2edy s ASP 78 Ca -0.03 0.42 -0.01 0.00 -0.52 0.00 0.00 52.55 52.41 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 -0.08 -2.69 -0.06 -0.63 0.52 0.00 0.00 175.17 172.23 2edy s ILE 79 N 10.58 3.72 0.19 4.11 1.01 -1.26 -0.83 121.20 138.72 2edy s ILE 79 Ca 0.79 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2edy s ILE 79 Cb -0.13 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 2edy s ILE 79 CO 0.19 0.54 0.12 2.29 0.00 0.00 0.00 174.94 178.08 2edy n LYS 80 N 2.95 0.43 -3.65 2.79 2.85 0.90 -1.37 118.16 123.05 2edy n LYS 80 Ca -0.18 -1.76 -0.11 0.00 -1.05 0.00 0.00 58.31 55.22 2edy n LYS 80 Cb 0.53 1.24 -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 -2.55 0.07 -0.19 0.58 0.11 -1.26 -2.11 120.40 115.05 2edy s VAL 81 Ca 0.17 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 2edy s VAL 81 Cb 0.01 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.76 2edy s VAL 81 CO 0.12 -0.34 0.49 0.00 -3.33 0.00 0.00 175.10 172.04 2edy s ARG 82 N -3.64 0.55 0.23 1.54 1.70 -1.11 0.29 118.95 118.51 2edy s ARG 82 Ca 0.02 0.73 -0.24 0.00 -0.47 0.00 0.00 55.73 55.78 2edy s ARG 82 Cb 0.02 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 2edy s ARG 82 CO -0.11 -0.09 0.81 0.00 -1.08 0.00 0.00 175.30 174.83 2edy s ALA 83 N 0.56 3.37 0.11 7.88 0.00 -1.26 -1.58 121.76 130.84 2edy s ALA 83 Ca -0.02 0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.38 2edy s ALA 83 Cb -0.04 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2edy s ALA 83 CO -0.03 0.27 -0.24 -1.58 0.00 0.00 0.00 175.76 174.18 2edy s TRP 84 N -1.41 2.39 0.35 0.00 0.52 0.42 -3.06 118.94 118.16 2edy s TRP 84 Ca 0.42 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 56.29 2edy s TRP 84 Cb -0.20 -1.30 -0.07 0.00 -1.15 0.00 0.00 33.47 30.75 2edy s TRP 84 CO 0.24 0.33 -0.07 0.95 0.02 0.00 0.00 176.95 178.42 2edy s THR 85 N -1.06 2.15 0.66 2.01 -4.23 0.58 -1.46 115.64 114.29 2edy s THR 85 Ca 0.15 -2.16 0.28 0.00 -1.18 0.00 0.00 61.69 58.78 2edy s THR 85 Cb -0.10 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.32 2edy s THR 85 CO 0.07 -0.17 1.86 0.77 -0.54 0.00 0.00 174.62 176.61 2edy h SER 86 N 1.99 0.00 0.00 3.99 4.64 -1.96 -2.30 113.55 119.91 2edy h SER 86 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2edy h SER 86 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2edy h SER 86 CO 0.72 0.00 -0.30 0.11 -0.87 0.00 0.00 176.83 176.49 2edy h LYS 87 N 0.00 0.00 0.00 4.77 6.56 -1.94 -3.51 116.57 122.44 2edy h LYS 87 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2edy h LYS 87 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 2edy h LYS 87 CO -0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2edy n GLY 88 N 1.69 2.78 3.55 3.86 0.00 -0.87 -4.90 105.19 111.30 2edy n GLY 88 Ca -0.04 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 3.07 0.00 1.61 1.04 -1.26 -0.31 113.70 119.85 2edy s SER 89 Ca 0.00 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2edy s SER 89 Cb 0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.17 2edy s SER 89 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2edy n GLY 90 N -0.88 5.22 1.43 7.32 0.00 -1.17 -3.90 105.19 113.20 2edy n GLY 90 Ca -0.06 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.90 -4.01 1.61 -0.04 -1.24 -4.97 135.00 124.44 2edy n PRO 91 Ca 0.00 -0.71 -0.29 0.00 -0.04 0.00 0.00 63.50 62.46 2edy n PRO 91 Cb 0.00 -0.67 -0.17 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.54 0.78 1.53 1.43 -1.26 -4.56 118.68 118.13 2edy s LEU 92 Ca 0.29 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 2edy s LEU 92 Cb -0.03 -1.08 0.02 0.00 0.03 0.00 0.00 46.19 45.13 2edy s LEU 92 CO 0.22 -0.07 0.83 -1.54 0.23 0.00 0.00 176.35 176.03 2edy n SER 93 N 4.79 -0.18 -4.64 2.29 3.41 0.14 -4.88 113.62 114.55 2edy n SER 93 Ca -0.16 0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 58.60 2edy n SER 93 Cb 0.50 -1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 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 -3.43 3.92 0.48 4.33 0.04 -1.26 -4.36 135.00 134.72 2edy s PRO 94 Ca 0.69 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 63.29 2edy s PRO 94 Cb -0.31 -4.00 -0.10 0.00 0.04 0.00 0.00 34.50 30.13 2edy s PRO 94 CO 0.55 -1.14 0.70 -1.13 0.04 0.00 0.00 177.00 176.02 2edy n SER 95 N 7.97 -0.21 -0.05 6.66 3.41 -1.26 -4.85 113.62 125.29 2edy n SER 95 Ca 0.18 0.88 0.01 0.00 -0.26 0.00 0.00 58.87 59.69 2edy n SER 95 Cb 0.45 -1.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.03 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 -1.08 0.57 -3.22 -1.33 -5.35 -0.47 -4.90 119.36 103.57 2edy n ILE 96 Ca 0.11 -0.59 -0.15 0.00 -0.27 0.00 0.00 62.75 61.85 2edy n ILE 96 Cb 0.42 -0.21 0.08 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 -2.40 -5.67 -1.95 6.28 6.02 -1.22 -4.89 117.38 113.55 2edy n GLN 97 Ca -0.15 0.73 -0.43 0.00 -0.01 0.00 0.00 57.00 57.13 2edy n GLN 97 Cb 0.77 -5.38 -0.03 0.00 1.02 0.00 0.00 30.24 26.62 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 -4.16 5.88 -0.40 1.08 0.15 -0.76 -4.14 113.70 111.35 2edy s SER 98 Ca 0.00 1.42 -0.28 0.00 0.70 0.00 0.00 55.95 57.80 2edy s SER 98 Cb -0.00 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2edy s SER 98 CO 0.62 -1.70 1.05 -0.60 1.20 0.00 0.00 173.24 173.81 2edy s ARG 99 N 5.66 3.86 0.43 5.44 3.52 -1.26 -2.92 118.95 133.67 2edy s ARG 99 Ca 0.82 0.71 -0.22 0.00 -0.13 0.00 0.00 55.73 56.91 2edy s ARG 99 Cb -0.24 -3.82 -0.13 0.00 -1.56 0.00 0.00 34.95 29.19 2edy s ARG 99 CO 0.34 -1.10 0.48 0.25 -0.81 0.00 0.00 175.30 174.46 2edy n THR 100 N 6.26 1.63 -1.76 4.11 -2.24 -1.06 -4.80 114.28 116.42 2edy n THR 100 Ca 0.10 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.97 2edy n THR 100 Cb 0.48 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 2edy n THR 100 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2edy n MET 101 N 0.66 2.65 -2.03 -0.78 -0.00 -1.24 -2.49 117.12 113.89 2edy n MET 101 Ca 0.11 0.93 -0.38 0.00 -0.00 0.00 0.00 57.70 58.37 2edy n MET 101 Cb 0.40 -2.67 -0.03 0.00 -0.00 0.00 0.00 33.22 30.92 2edy n MET 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2edy s PRO 102 N -1.61 2.62 0.00 3.17 0.04 -1.26 -3.59 135.00 134.37 2edy s PRO 102 Ca 0.57 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2edy s PRO 102 Cb -0.49 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2edy s PRO 102 CO 0.59 -2.75 0.12 1.55 0.04 0.00 0.00 177.00 176.55