#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 4.30 0.27 1.61 0.01 -1.26 -5.06 113.70 113.57 2edy s SER 2 Ca 0.00 -3.36 -0.21 0.00 1.31 0.00 0.00 55.95 53.69 2edy s SER 2 Cb 0.00 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.77 2edy s SER 2 CO 0.00 -0.16 0.79 -0.44 0.41 0.00 0.00 173.24 173.83 2edy s SER 3 N -0.74 -0.19 -0.34 2.44 0.01 -1.26 -5.09 113.70 108.53 2edy s SER 3 Ca 0.22 -0.66 0.15 0.00 1.31 0.00 0.00 55.95 56.97 2edy s SER 3 Cb -0.14 0.70 0.44 0.00 0.21 0.00 0.00 66.02 67.22 2edy s SER 3 CO -0.09 -1.31 1.15 0.61 0.41 0.00 0.00 173.24 174.02 2edy n GLY 4 N -0.48 1.54 3.79 3.44 0.00 -1.26 -4.98 105.19 107.23 2edy n GLY 4 Ca -0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2edy n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edy n SER 5 N -0.43 -0.61 -4.66 1.61 2.88 -1.26 -4.69 113.62 106.46 2edy n SER 5 Ca 0.03 -0.93 -0.53 0.00 -1.33 0.00 0.00 58.87 56.11 2edy n SER 5 Cb 0.83 -1.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.05 2edy n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2edy n SER 6 N -1.78 2.39 0.00 -3.46 7.64 -1.26 -4.80 113.62 112.35 2edy n SER 6 Ca -0.03 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2edy n SER 6 Cb 0.40 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 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 3.52 -1.01 3.77 0.23 0.00 -1.26 -3.75 105.19 106.70 2edy n GLY 7 Ca 0.22 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.84 3.72 0.00 1.61 0.04 -1.26 -4.90 135.00 132.37 2edy s PRO 8 Ca 0.00 1.76 0.19 0.00 0.04 0.00 0.00 61.00 62.98 2edy s PRO 8 Cb 0.00 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.19 2edy s PRO 8 CO 0.00 -0.58 0.97 0.45 0.04 0.00 0.00 177.00 177.88 2edy n SER 9 N -0.56 1.91 -4.33 6.66 2.88 -1.26 -3.77 113.62 115.14 2edy n SER 9 Ca 0.08 -1.45 -0.24 0.00 -1.33 0.00 0.00 58.87 55.92 2edy n SER 9 Cb 0.48 0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.05 1.40 0.22 0.46 0.00 -1.26 -4.86 107.32 101.23 2edy s GLY 10 Ca 0.16 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 43.53 2edy s GLY 10 CO 0.44 -1.45 0.10 -0.11 0.00 0.00 0.00 173.10 172.07 2edy s PHE 11 N -1.61 2.97 0.96 1.90 -0.71 -1.26 -4.75 117.98 115.48 2edy s PHE 11 Ca 0.13 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.78 2edy s PHE 11 Cb -0.08 -1.37 0.17 0.00 -1.21 0.00 0.00 43.02 40.53 2edy s PHE 11 CO 0.06 0.54 1.09 -1.25 -1.34 0.00 0.00 175.22 174.33 2edy s PRO 12 N -3.46 0.73 0.35 1.99 0.04 -1.26 -4.64 135.00 128.75 2edy s PRO 12 Ca 0.31 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.00 2edy s PRO 12 Cb -0.08 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2edy s PRO 12 CO 0.22 -2.56 0.06 1.04 0.04 0.00 0.00 177.00 175.81 2edy n GLN 13 N -4.07 0.83 -2.10 4.56 1.13 -1.12 -4.80 117.38 111.81 2edy n GLN 13 Ca 0.06 -2.79 -0.17 0.00 -1.94 0.00 0.00 57.00 52.16 2edy n GLN 13 Cb 0.56 1.16 -0.03 0.00 0.11 0.00 0.00 30.24 32.05 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 -1.46 -5.06 -4.62 1.08 5.03 -1.26 -0.19 115.26 108.78 2edy n ASN 14 Ca -0.10 0.11 -0.43 0.00 0.87 0.00 0.00 54.58 55.03 2edy n ASN 14 Cb 0.49 -4.13 -0.02 0.00 -1.02 0.00 0.00 39.78 35.09 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 -4.67 3.79 0.00 3.41 2.96 -1.26 -3.69 118.68 119.22 2edy s LEU 15 Ca 0.00 1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 54.87 2edy s LEU 15 Cb 0.00 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.20 2edy s LEU 15 CO 0.00 -1.19 0.63 0.00 -1.32 0.00 0.00 176.35 174.47 2edy n HIS 16 N 8.01 -1.19 -4.34 5.38 1.44 -1.19 -4.92 115.22 118.40 2edy n HIS 16 Ca 0.15 -0.86 -0.34 0.00 -2.01 0.00 0.00 57.72 54.66 2edy n HIS 16 Cb 0.47 0.42 -0.11 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 -2.27 4.08 -0.60 0.61 0.11 -1.26 -0.66 120.40 120.41 2edy s VAL 17 Ca 0.14 -0.30 0.23 0.00 -2.93 0.00 0.00 61.98 59.12 2edy s VAL 17 Cb -0.02 -2.79 -0.08 0.00 -1.53 0.00 0.00 36.38 31.97 2edy s VAL 17 CO 0.04 0.50 1.08 1.07 -3.33 0.00 0.00 175.10 174.47 2edy n THR 18 N 3.36 0.22 -2.66 5.04 5.66 -1.26 -4.77 114.28 119.87 2edy n THR 18 Ca -0.17 -0.26 -0.04 0.00 -3.05 0.00 0.00 64.05 60.53 2edy n THR 18 Cb 0.53 0.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.47 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 1.35 -1.81 3.42 1.09 0.00 -1.26 -5.07 105.19 102.91 2edy n GLY 19 Ca 0.02 1.26 -0.29 0.00 0.00 0.00 0.00 46.02 47.00 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 0.62 -0.06 0.00 0.99 2.34 -1.26 -3.45 118.68 117.87 2edy s LEU 20 Ca 0.24 1.12 -0.11 0.00 0.06 0.00 0.00 54.13 55.44 2edy s LEU 20 Cb 0.16 -2.80 0.01 0.00 -0.56 0.00 0.00 46.19 43.00 2edy s LEU 20 CO -0.10 -4.70 0.22 -0.89 -1.06 0.00 0.00 176.35 169.82 2edy s THR 21 N -2.44 0.08 0.41 5.48 2.01 0.65 -4.77 115.64 117.04 2edy s THR 21 Ca 0.69 -0.63 0.23 0.00 0.31 0.00 0.00 61.69 62.29 2edy s THR 21 Cb -0.18 -0.57 0.42 0.00 0.01 0.00 0.00 72.50 72.18 2edy s THR 21 CO 0.61 -0.34 1.69 0.71 -0.69 0.00 0.00 174.62 176.59 2edy h THR 22 N 3.99 0.31 0.00 -0.82 1.35 -1.92 -2.99 112.91 112.83 2edy h THR 22 Ca -0.30 -0.08 -0.22 0.00 -0.55 0.00 0.00 66.41 65.25 2edy h THR 22 Cb 1.19 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 2edy h THR 22 CO 0.41 0.04 -1.77 -1.20 -0.25 0.00 0.00 175.52 172.75 2edy n SER 23 N -4.73 1.87 -4.99 5.36 7.64 -1.26 -1.76 113.62 115.75 2edy n SER 23 Ca 0.32 0.07 -0.19 0.00 1.01 0.00 0.00 58.87 60.07 2edy n SER 23 Cb 1.13 -0.32 -0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -2.26 3.88 -0.17 0.44 -4.23 -1.13 -0.87 115.64 111.30 2edy s THR 24 Ca -0.19 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 2edy s THR 24 Cb 0.06 -3.34 0.07 0.00 1.34 0.00 0.00 72.50 70.63 2edy s THR 24 CO 0.27 -0.14 0.17 -0.89 -0.54 0.00 0.00 174.62 173.49 2edy s THR 25 N -2.24 -0.24 0.78 3.99 2.01 -1.10 0.24 115.64 119.07 2edy s THR 25 Ca 0.47 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.34 2edy s THR 25 Cb -0.10 -0.56 0.06 0.00 0.01 0.00 0.00 72.50 71.92 2edy s THR 25 CO 0.32 -0.15 1.08 -1.61 -0.69 0.00 0.00 174.62 173.58 2edy s GLU 26 N 2.26 2.23 0.12 4.92 2.02 -1.22 0.54 118.70 129.56 2edy s GLU 26 Ca 0.05 0.82 -0.06 0.00 0.02 0.00 0.00 54.97 55.79 2edy s GLU 26 Cb -0.15 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 2edy s GLU 26 CO -0.10 -1.56 0.16 -0.51 0.02 0.00 0.00 175.26 173.27 2edy s LEU 27 N -5.79 1.50 -0.30 1.80 1.43 0.27 -4.13 118.68 113.46 2edy s LEU 27 Ca 0.60 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2edy s LEU 27 Cb -0.15 0.82 0.19 0.00 0.03 0.00 0.00 46.19 47.07 2edy s LEU 27 CO 0.55 -0.76 0.83 0.00 0.23 0.00 0.00 176.35 177.20 2edy s ALA 28 N -3.94 -2.96 0.29 4.21 0.00 0.17 -3.66 121.76 115.87 2edy s ALA 28 Ca 0.13 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.63 2edy s ALA 28 Cb 0.05 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2edy s ALA 28 CO -0.05 -1.54 0.07 -2.67 0.00 0.00 0.00 175.76 171.57 2edy n TRP 29 N 5.41 0.28 -4.33 0.00 2.14 -0.69 -3.20 117.44 117.04 2edy n TRP 29 Ca -0.01 -1.74 -0.18 0.00 2.07 0.00 0.00 57.50 57.65 2edy n TRP 29 Cb 0.53 -0.06 -0.10 0.00 -0.81 0.00 0.00 31.31 30.87 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 -2.73 2.25 0.84 -0.67 1.11 0.74 -4.72 116.67 113.49 2edy s ASP 30 Ca 0.10 -1.09 -0.11 0.00 0.18 0.00 0.00 52.55 51.63 2edy s ASP 30 Cb 0.00 -0.08 0.10 0.00 1.07 0.00 0.00 42.92 44.01 2edy s ASP 30 CO 0.07 -0.31 1.09 -2.16 1.18 0.00 0.00 175.17 175.04 2edy s PRO 31 N -3.73 1.67 0.23 8.23 0.04 -1.26 -2.78 135.00 137.40 2edy s PRO 31 Ca 0.23 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2edy s PRO 31 Cb 0.02 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2edy s PRO 31 CO 0.06 -1.99 1.28 -1.25 0.04 0.00 0.00 177.00 175.14 2edy s PRO 32 N -4.92 4.42 0.21 0.56 0.04 -1.26 -4.39 135.00 129.65 2edy s PRO 32 Ca 0.62 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 2edy s PRO 32 Cb -0.18 -3.17 -0.16 0.00 0.04 0.00 0.00 34.50 31.03 2edy s PRO 32 CO 0.57 -0.18 0.79 1.33 0.04 0.00 0.00 177.00 179.55 2edy n VAL 33 N 2.11 1.71 0.25 -0.36 0.24 -1.26 -4.75 118.33 116.28 2edy n VAL 33 Ca 0.04 -0.43 0.16 0.00 -2.04 0.00 0.00 64.34 62.07 2edy n VAL 33 Cb 0.43 -0.41 0.74 0.00 -1.47 0.00 0.00 33.84 33.13 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 1.74 0.00 -0.65 1.34 8.10 -1.98 0.41 115.31 124.28 2edy h LEU 34 Ca -0.35 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.49 2edy h LEU 34 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.61 2edy h LEU 34 CO 0.60 0.00 -0.60 0.00 -4.11 0.00 0.00 178.44 174.33 2edy h ALA 35 N 1.29 0.84 -1.58 0.17 0.00 -2.03 -3.27 119.26 114.68 2edy h ALA 35 Ca 0.07 -0.54 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 2edy h ALA 35 Cb 0.91 -0.08 -0.36 0.00 0.00 0.00 0.00 17.79 18.25 2edy h ALA 35 CO -0.00 0.72 0.02 0.39 0.00 0.00 0.00 179.25 180.38 2edy n GLU 36 N -3.88 3.64 -3.48 0.00 4.71 0.15 -4.86 120.64 116.92 2edy n GLU 36 Ca -0.02 -4.44 -0.27 0.00 -0.01 0.00 0.00 57.16 52.42 2edy n GLU 36 Cb 0.61 -2.29 -0.09 0.00 -1.01 0.00 0.00 31.44 28.66 2edy n GLU 36 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2edy n ARG 37 N -0.34 1.77 -0.27 3.49 1.74 -1.21 -4.28 116.66 117.56 2edy n ARG 37 Ca 0.41 -4.19 0.10 0.00 -0.77 0.00 0.00 57.85 53.40 2edy n ARG 37 Cb 0.41 -1.99 0.20 0.00 -1.02 0.00 0.00 32.46 30.06 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 1.41 -0.14 0.00 0.55 5.03 -1.26 -4.67 115.26 116.19 2edy n ASN 38 Ca 0.26 1.31 0.00 0.00 0.87 0.00 0.00 54.58 57.02 2edy n ASN 38 Cb 0.43 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 2edy n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2edy n GLY 39 N -1.41 4.33 3.52 7.41 0.00 -1.26 -5.11 105.19 112.66 2edy n GLY 39 Ca 0.17 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2edy n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2edy s ARG 40 N 3.06 1.76 -0.09 1.61 3.03 -1.26 -5.13 118.95 121.94 2edy s ARG 40 Ca 0.00 -1.92 -0.02 0.00 2.03 0.00 0.00 55.73 55.82 2edy s ARG 40 Cb 0.00 -1.50 -0.03 0.00 -1.03 0.00 0.00 34.95 32.39 2edy s ARG 40 CO 0.00 0.07 0.00 0.42 -1.13 0.00 0.00 175.30 174.66 2edy s ILE 41 N -2.77 4.34 -0.04 4.99 -1.09 -1.26 -4.12 121.20 121.26 2edy s ILE 41 Ca 0.32 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 2edy s ILE 41 Cb 0.04 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 2edy s ILE 41 CO 0.15 0.61 -0.01 2.30 -1.23 0.00 0.00 174.94 176.76 2edy n ILE 42 N 2.15 0.23 -3.94 2.92 -5.35 0.24 -4.95 119.36 110.65 2edy n ILE 42 Ca -0.19 -0.12 -0.00 0.00 -0.27 0.00 0.00 62.75 62.17 2edy n ILE 42 Cb 0.54 -0.81 0.02 0.00 -1.74 0.00 0.00 39.64 37.64 2edy n ILE 42 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2edy n SER 43 N -2.32 -1.43 -4.08 7.28 3.41 -1.24 -4.77 113.62 110.47 2edy n SER 43 Ca -0.06 -1.57 -0.11 0.00 -0.26 0.00 0.00 58.87 56.87 2edy n SER 43 Cb 0.60 2.29 -0.11 0.00 -0.26 0.00 0.00 64.21 66.72 2edy n SER 43 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2edy s TYR 44 N -2.14 0.63 -0.23 7.33 1.51 -1.00 -0.53 117.35 122.93 2edy s TYR 44 Ca 0.26 -0.71 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2edy s TYR 44 Cb -0.02 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.46 2edy s TYR 44 CO 0.02 -0.17 -0.10 0.99 -1.11 0.00 0.00 175.55 175.19 2edy s THR 45 N -2.41 2.66 -0.66 -0.71 2.01 -0.90 -2.67 115.64 112.96 2edy s THR 45 Ca -0.02 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 2edy s THR 45 Cb -0.03 -2.29 0.12 0.00 0.01 0.00 0.00 72.50 70.31 2edy s THR 45 CO -0.03 0.31 0.77 -0.69 -0.69 0.00 0.00 174.62 174.29 2edy s VAL 46 N 1.32 4.87 -0.38 3.82 1.01 -0.41 -2.87 120.40 127.77 2edy s VAL 46 Ca 0.02 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 2edy s VAL 46 Cb -0.16 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2edy s VAL 46 CO -0.07 -1.18 0.69 -0.69 0.00 0.00 0.00 175.10 173.85 2edy s VAL 47 N 2.48 4.82 0.01 2.92 1.01 -1.02 -0.37 120.40 130.25 2edy s VAL 47 Ca 0.15 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.77 2edy s VAL 47 Cb -0.20 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2edy s VAL 47 CO 0.03 -0.42 -0.21 0.72 0.00 0.00 0.00 175.10 175.22 2edy s PHE 48 N 2.88 2.49 -0.09 5.22 -0.71 0.15 -0.56 117.98 127.36 2edy s PHE 48 Ca 0.26 -0.31 -0.26 0.00 -1.04 0.00 0.00 56.93 55.58 2edy s PHE 48 Cb -0.14 -1.49 0.06 0.00 -1.21 0.00 0.00 43.02 40.24 2edy s PHE 48 CO 0.17 0.15 0.61 0.50 -1.34 0.00 0.00 175.22 175.30 2edy s ARG 49 N -1.05 0.92 -0.51 1.99 3.52 -0.15 -1.39 118.95 122.28 2edy s ARG 49 Ca 0.12 0.34 -0.29 0.00 -0.13 0.00 0.00 55.73 55.78 2edy s ARG 49 Cb -0.10 0.43 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2edy s ARG 49 CO 0.02 -0.25 1.14 -0.51 -0.81 0.00 0.00 175.30 174.89 2edy s ASP 50 N -0.83 6.57 0.24 -2.12 1.11 -1.25 0.15 116.67 120.53 2edy s ASP 50 Ca -0.09 0.33 0.12 0.00 0.18 0.00 0.00 52.55 53.09 2edy s ASP 50 Cb -0.02 -2.54 0.64 0.00 1.07 0.00 0.00 42.92 42.07 2edy s ASP 50 CO 0.07 -1.31 1.28 2.30 1.18 0.00 0.00 175.17 178.69 2edy n ILE 51 N 6.77 0.95 0.02 0.77 -5.35 -1.22 0.50 119.36 121.81 2edy n ILE 51 Ca 0.11 0.68 0.01 0.00 -0.27 0.00 0.00 62.75 63.27 2edy n ILE 51 Cb 0.49 -1.68 -0.09 0.00 -1.74 0.00 0.00 39.64 36.62 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 -1.92 0.75 -4.81 7.28 3.02 -1.26 -4.96 115.26 113.35 2edy n ASN 52 Ca -0.01 0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 54.55 2edy n ASN 52 Cb 0.19 0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 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 -5.65 4.28 -0.25 6.41 0.01 0.18 -5.05 113.70 113.63 2edy s SER 53 Ca -0.04 -1.58 0.13 0.00 1.31 0.00 0.00 55.95 55.78 2edy s SER 53 Cb 0.09 0.58 0.56 0.00 0.21 0.00 0.00 66.02 67.46 2edy s SER 53 CO 0.82 -0.96 1.51 1.67 0.41 0.00 0.00 173.24 176.69 2edy n GLN 54 N -1.43 2.69 -2.98 12.44 -0.06 -1.26 -4.59 117.38 122.19 2edy n GLN 54 Ca -0.16 -3.00 -0.44 0.00 -2.00 0.00 0.00 57.00 51.41 2edy n GLN 54 Cb 0.66 -1.91 -0.04 0.00 -4.06 0.00 0.00 30.24 24.90 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2edy s GLN 55 N -3.00 3.16 0.13 3.69 2.00 -1.26 -5.03 119.66 119.34 2edy s GLN 55 Ca 0.45 -1.19 -0.21 0.00 -2.00 0.00 0.00 55.36 52.41 2edy s GLN 55 Cb 0.38 -4.34 -0.07 0.00 0.80 0.00 0.00 33.01 29.78 2edy s GLN 55 CO 0.07 -1.69 0.66 -2.00 -0.50 0.00 0.00 175.29 171.83 2edy s GLU 56 N 3.25 4.34 0.19 1.67 2.12 -1.26 -3.89 118.70 125.12 2edy s GLU 56 Ca 0.19 0.90 -0.15 0.00 0.36 0.00 0.00 54.97 56.28 2edy s GLU 56 Cb -0.18 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.03 2edy s GLU 56 CO 0.06 0.58 0.45 -0.51 -0.54 0.00 0.00 175.26 175.30 2edy s LEU 57 N -1.27 0.35 0.21 2.70 1.43 -0.48 -5.02 118.68 116.60 2edy s LEU 57 Ca 0.34 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 2edy s LEU 57 Cb -0.20 1.85 0.04 0.00 0.03 0.00 0.00 46.19 47.91 2edy s LEU 57 CO 0.22 -1.02 0.81 0.00 0.23 0.00 0.00 176.35 176.59 2edy s GLN 58 N -3.92 1.49 0.25 1.70 -2.07 -1.26 0.30 119.66 116.16 2edy s GLN 58 Ca 0.13 -0.81 0.02 0.00 -1.82 0.00 0.00 55.36 52.88 2edy s GLN 58 Cb 0.00 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 2edy s GLN 58 CO -0.01 -0.68 0.19 -0.80 -1.32 0.00 0.00 175.29 172.67 2edy s ASN 59 N -2.91 0.68 -0.02 12.60 0.02 0.51 -4.93 114.94 120.90 2edy s ASN 59 Ca 0.11 -1.51 0.02 0.00 -1.02 0.00 0.00 52.86 50.45 2edy s ASN 59 Cb -0.04 0.45 0.01 0.00 0.02 0.00 0.00 41.25 41.68 2edy s ASN 59 CO 0.04 -0.92 -0.06 -0.63 0.02 0.00 0.00 177.10 175.55 2edy s ILE 60 N -3.90 0.51 -0.17 0.60 1.01 -1.26 -1.28 121.20 116.70 2edy s ILE 60 Ca 0.39 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2edy s ILE 60 Cb 0.05 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 42.10 2edy s ILE 60 CO 0.17 0.17 0.51 0.28 0.00 0.00 0.00 174.94 176.08 2edy s THR 61 N 0.26 0.00 -0.94 2.92 -1.32 -1.09 -5.02 115.64 110.45 2edy s THR 61 Ca -0.03 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 2edy s THR 61 Cb -0.07 -0.73 0.12 0.00 -1.51 0.00 0.00 72.50 70.31 2edy s THR 61 CO -0.00 -0.02 0.70 0.35 -2.21 0.00 0.00 174.62 173.44 2edy n THR 62 N 2.53 0.39 -4.44 5.08 -2.24 -1.26 -2.38 114.28 111.97 2edy n THR 62 Ca -0.15 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 2edy n THR 62 Cb 0.56 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.15 3.25 -0.02 3.42 1.01 -1.26 -4.90 116.67 118.01 2edy s ASP 63 Ca 0.08 -1.07 0.02 0.00 0.71 0.00 0.00 52.55 52.29 2edy s ASP 63 Cb 0.06 -0.25 0.08 0.00 1.01 0.00 0.00 42.92 43.82 2edy s ASP 63 CO 0.02 -0.09 0.70 0.35 0.21 0.00 0.00 175.17 176.36 2edy n THR 64 N -0.58 0.24 -4.14 -1.27 -2.24 -1.26 -4.66 114.28 100.37 2edy n THR 64 Ca -0.06 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 2edy n THR 64 Cb 0.61 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.30 1.32 -0.16 -0.78 1.04 -1.26 -1.71 118.95 116.11 2edy s ARG 65 Ca 0.05 -1.53 -0.32 0.00 -1.04 0.00 0.00 55.73 52.89 2edy s ARG 65 Cb 0.04 0.33 0.14 0.00 -2.04 0.00 0.00 34.95 33.42 2edy s ARG 65 CO 0.02 -0.48 1.12 0.12 -0.04 0.00 0.00 175.30 176.05 2edy s PHE 66 N -4.09 -0.21 -0.21 5.89 5.36 -1.24 -4.91 117.98 118.58 2edy s PHE 66 Ca 0.34 0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 56.51 2edy s PHE 66 Cb 0.05 0.50 0.06 0.00 -0.34 0.00 0.00 43.02 43.29 2edy s PHE 66 CO 0.12 -0.28 -0.00 0.99 -1.46 0.00 0.00 175.22 174.59 2edy s THR 67 N -2.13 0.94 1.31 0.12 2.01 -1.26 0.94 115.64 117.56 2edy s THR 67 Ca 0.06 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 61.04 2edy s THR 67 Cb -0.01 -1.35 0.33 0.00 0.01 0.00 0.00 72.50 71.48 2edy s THR 67 CO -0.05 -0.17 0.98 -0.76 -0.69 0.00 0.00 174.62 173.93 2edy s LEU 68 N 1.67 -0.22 0.26 4.42 2.01 0.19 -4.77 118.68 122.23 2edy s LEU 68 Ca -0.03 1.11 -0.22 0.00 0.01 0.00 0.00 54.13 55.00 2edy s LEU 68 Cb -0.18 -2.75 0.03 0.00 0.01 0.00 0.00 46.19 43.30 2edy s LEU 68 CO -0.07 -4.82 0.74 0.42 1.01 0.00 0.00 176.35 173.63 2edy s THR 69 N -2.40 0.00 -1.58 5.49 -4.23 -1.26 -2.73 115.64 108.93 2edy s THR 69 Ca 0.69 -0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 60.26 2edy s THR 69 Cb -0.18 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2edy s THR 69 CO 0.61 0.00 0.45 0.61 -0.54 0.00 0.00 174.62 175.75 2edy n GLY 70 N -0.46 -0.49 3.93 3.99 0.00 -1.25 -4.93 105.19 106.00 2edy n GLY 70 Ca -0.05 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.36 3.81 -0.04 0.99 1.43 -0.05 -5.06 118.68 113.40 2edy s LEU 71 Ca 0.22 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2edy s LEU 71 Cb -0.10 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2edy s LEU 71 CO 0.28 -0.41 0.23 -0.75 0.23 0.00 0.00 176.35 175.92 2edy s LYS 72 N -4.11 3.55 0.51 1.70 2.20 -1.26 -4.35 119.74 117.99 2edy s LYS 72 Ca 0.44 -0.08 -0.21 0.00 -0.36 0.00 0.00 55.97 55.76 2edy s LYS 72 Cb -0.08 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2edy s LYS 72 CO 0.29 0.70 1.14 -1.25 -0.36 0.00 0.00 175.35 175.87 2edy s PRO 73 N -1.48 3.50 -1.28 4.03 0.04 -0.72 -3.71 135.00 135.37 2edy s PRO 73 Ca 0.23 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2edy s PRO 73 Cb -0.13 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2edy s PRO 73 CO 0.12 -0.74 0.68 -3.47 0.04 0.00 0.00 177.00 173.63 2edy n ASP 74 N -1.02 -1.97 -3.71 6.66 2.03 -1.20 -4.90 116.55 112.44 2edy n ASP 74 Ca 0.10 -0.87 -0.12 0.00 0.52 0.00 0.00 54.79 54.42 2edy n ASP 74 Cb 0.50 -3.87 -0.12 0.00 -0.72 0.00 0.00 41.12 36.91 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 -3.67 -0.10 0.18 5.18 2.01 -1.24 -4.97 115.64 113.02 2edy s THR 75 Ca 0.10 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.94 2edy s THR 75 Cb -0.03 -0.46 -0.10 0.00 0.01 0.00 0.00 72.50 71.92 2edy s THR 75 CO 0.83 0.06 1.52 -0.89 -0.69 0.00 0.00 174.62 175.45 2edy s THR 76 N 1.48 2.70 -0.27 -0.82 2.01 -1.26 -2.68 115.64 116.80 2edy s THR 76 Ca -0.08 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2edy s THR 76 Cb -0.10 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.15 2edy s THR 76 CO -0.10 0.05 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.57 2edy s TYR 77 N 0.85 2.47 -0.67 4.92 2.02 -1.20 -3.42 117.35 122.32 2edy s TYR 77 Ca 0.67 -1.95 -0.26 0.00 -0.37 0.00 0.00 57.07 55.16 2edy s TYR 77 Cb -0.43 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.26 2edy s TYR 77 CO 0.34 -0.82 2.04 0.34 -1.57 0.00 0.00 175.55 175.88 2edy s ASP 78 N 1.36 4.95 -0.13 2.29 -1.08 0.40 -1.66 116.67 122.80 2edy s ASP 78 Ca 0.00 0.23 -0.02 0.00 -0.52 0.00 0.00 52.55 52.23 2edy s ASP 78 Cb -0.19 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2edy s ASP 78 CO -0.10 -2.70 -0.05 -0.63 0.52 0.00 0.00 175.17 172.21 2edy s ILE 79 N 10.45 3.81 0.19 4.11 1.01 -1.26 -0.98 121.20 138.54 2edy s ILE 79 Ca 0.76 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2edy s ILE 79 Cb -0.12 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2edy s ILE 79 CO 0.16 0.52 0.08 2.29 0.00 0.00 0.00 174.94 177.99 2edy n LYS 80 N 3.19 0.67 -3.71 2.79 2.85 0.28 -1.13 118.16 123.10 2edy n LYS 80 Ca -0.18 -1.69 -0.10 0.00 -1.05 0.00 0.00 58.31 55.30 2edy n LYS 80 Cb 0.53 0.99 -0.04 0.00 -0.65 0.00 0.00 35.03 35.85 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 -2.35 0.04 -0.26 0.58 0.11 -1.26 -2.43 120.40 114.82 2edy s VAL 81 Ca 0.12 -0.74 -0.18 0.00 -2.93 0.00 0.00 61.98 58.25 2edy s VAL 81 Cb 0.01 -1.45 0.07 0.00 -1.53 0.00 0.00 36.38 33.48 2edy s VAL 81 CO 0.08 -0.20 0.67 0.00 -3.33 0.00 0.00 175.10 172.32 2edy s ARG 82 N -3.86 0.71 0.37 1.54 1.70 -1.14 0.51 118.95 118.79 2edy s ARG 82 Ca 0.08 1.12 -0.25 0.00 -0.47 0.00 0.00 55.73 56.20 2edy s ARG 82 Cb 0.00 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.49 2edy s ARG 82 CO -0.06 -0.13 1.03 0.00 -1.08 0.00 0.00 175.30 175.06 2edy s ALA 83 N 1.25 3.14 -0.04 7.88 0.00 -1.26 -2.12 121.76 130.62 2edy s ALA 83 Ca -0.07 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2edy s ALA 83 Cb -0.05 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2edy s ALA 83 CO -0.13 -0.12 -0.24 -1.58 0.00 0.00 0.00 175.76 173.69 2edy s TRP 84 N -1.62 2.43 0.17 0.00 0.52 0.31 -3.69 118.94 117.06 2edy s TRP 84 Ca 0.55 -0.48 0.09 0.00 0.02 0.00 0.00 56.10 56.29 2edy s TRP 84 Cb -0.22 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 2edy s TRP 84 CO 0.28 -0.06 -0.12 0.95 0.02 0.00 0.00 176.95 178.02 2edy s THR 85 N -0.49 3.09 0.55 2.01 -4.23 -0.75 -0.59 115.64 115.23 2edy s THR 85 Ca 0.06 -1.67 0.34 0.00 -1.18 0.00 0.00 61.69 59.24 2edy s THR 85 Cb -0.11 -2.52 0.49 0.00 1.34 0.00 0.00 72.50 71.71 2edy s THR 85 CO 0.01 -0.09 1.30 -1.54 -0.54 0.00 0.00 174.62 173.76 2edy n SER 86 N 0.14 0.00 0.08 3.99 3.41 -1.26 -0.34 113.62 119.64 2edy n SER 86 Ca -0.11 0.79 -0.04 0.00 -0.26 0.00 0.00 58.87 59.25 2edy n SER 86 Cb 0.55 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2edy n SER 86 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2edy h LYS 87 N 0.00 -0.23 0.00 4.33 6.56 -1.92 -3.51 116.57 121.80 2edy h LYS 87 Ca 0.63 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.23 2edy h LYS 87 Cb 3.06 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 34.77 2edy h LYS 87 CO -0.01 -0.16 0.00 0.41 -2.06 0.00 0.00 179.45 177.64 2edy n GLY 88 N 0.78 1.31 3.39 3.86 0.00 0.54 -4.97 105.19 110.10 2edy n GLY 88 Ca -0.03 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 2.49 0.00 1.61 0.15 -1.25 -1.81 113.70 116.90 2edy s SER 89 Ca 0.00 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2edy s SER 89 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2edy s SER 89 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2edy n GLY 90 N -0.50 5.25 3.10 9.45 0.00 -1.24 -4.27 105.19 116.97 2edy n GLY 90 Ca -0.06 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.90 -4.05 1.61 -0.04 -1.25 -5.00 135.00 123.37 2edy n PRO 91 Ca 0.00 -1.55 -0.31 0.00 -0.04 0.00 0.00 63.50 61.60 2edy n PRO 91 Cb 0.00 -1.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.85 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 1.90 0.78 1.53 1.43 -1.26 -4.63 118.68 118.42 2edy s LEU 92 Ca 0.63 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 2edy s LEU 92 Cb -0.06 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2edy s LEU 92 CO 0.48 -0.05 0.74 -1.54 0.23 0.00 0.00 176.35 176.21 2edy n SER 93 N 4.71 -0.55 -4.64 2.29 3.41 0.18 -4.87 113.62 114.16 2edy n SER 93 Ca -0.18 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 2edy n SER 93 Cb 0.50 -1.31 -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 -3.30 3.88 0.54 4.33 0.04 -1.26 -4.33 135.00 134.90 2edy s PRO 94 Ca 0.67 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 2edy s PRO 94 Cb -0.31 -4.01 -0.11 0.00 0.04 0.00 0.00 34.50 30.11 2edy s PRO 94 CO 0.57 -1.19 0.34 -1.13 0.04 0.00 0.00 177.00 175.62 2edy n SER 95 N 8.12 -1.80 -0.05 6.66 3.41 -1.26 -4.85 113.62 123.84 2edy n SER 95 Ca 0.18 0.72 -0.01 0.00 -0.26 0.00 0.00 58.87 59.50 2edy n SER 95 Cb 0.45 -1.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.19 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 -1.61 0.68 -3.13 -1.33 -5.35 -0.28 -4.91 119.36 103.43 2edy n ILE 96 Ca 0.11 -0.58 -0.14 0.00 -0.27 0.00 0.00 62.75 61.87 2edy n ILE 96 Cb 0.47 -0.30 0.07 0.00 -1.74 0.00 0.00 39.64 38.14 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 -2.41 -5.05 -2.05 6.28 6.02 -1.21 -4.89 117.38 114.06 2edy n GLN 97 Ca -0.17 0.69 -0.40 0.00 -0.01 0.00 0.00 57.00 57.10 2edy n GLN 97 Cb 0.81 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.84 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 -4.03 5.50 -0.36 1.08 0.15 -0.67 -4.23 113.70 111.15 2edy s SER 98 Ca 0.03 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 57.02 2edy s SER 98 Cb -0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2edy s SER 98 CO 0.59 -2.14 1.24 -0.60 1.20 0.00 0.00 173.24 173.53 2edy s ARG 99 N 6.54 3.85 0.82 5.44 3.52 -1.26 -3.21 118.95 134.65 2edy s ARG 99 Ca 0.70 1.02 -0.17 0.00 -0.13 0.00 0.00 55.73 57.16 2edy s ARG 99 Cb -0.15 -3.88 -0.11 0.00 -1.56 0.00 0.00 34.95 29.25 2edy s ARG 99 CO 0.25 -1.20 -0.26 0.25 -0.81 0.00 0.00 175.30 173.53 2edy n THR 100 N 6.41 0.31 -2.15 4.11 -2.24 -1.09 -4.80 114.28 114.82 2edy n THR 100 Ca 0.14 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 2edy n THR 100 Cb 0.47 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.09 4.38 -0.70 -0.78 0.00 -1.25 -3.24 119.30 115.61 2edy s MET 101 Ca 0.51 2.16 -0.26 0.00 0.00 0.00 0.00 55.69 58.10 2edy s MET 101 Cb -0.29 -3.11 -0.03 0.00 0.00 0.00 0.00 34.83 31.40 2edy s MET 101 CO 0.73 -0.20 1.89 -1.25 0.00 0.00 0.00 175.02 176.19 2edy s PRO 102 N -1.25 2.60 0.00 3.16 0.04 -1.26 -3.39 135.00 134.90 2edy s PRO 102 Ca 0.51 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2edy s PRO 102 Cb -0.39 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.55 2edy s PRO 102 CO 0.48 -2.94 0.19 1.55 0.04 0.00 0.00 177.00 176.32