#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edy n SER 2 N 0.00 -2.69 -3.75 1.61 7.64 -1.26 -4.96 113.62 110.21 2edy n SER 2 Ca 0.00 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 58.85 2edy n SER 2 Cb 0.00 -3.42 -0.10 0.00 -1.01 0.00 0.00 64.21 59.68 2edy n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edy s SER 3 N -3.75 -0.31 0.00 6.43 1.04 -1.26 -5.15 113.70 110.70 2edy s SER 3 Ca 0.41 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2edy s SER 3 Cb -0.21 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2edy s SER 3 CO 0.87 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.47 2edy n GLY 4 N 2.35 1.59 3.56 7.32 0.00 -1.26 -5.12 105.19 113.62 2edy n GLY 4 Ca -0.16 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 6.48 -0.06 1.61 0.15 -1.26 -4.86 113.70 115.75 2edy s SER 5 Ca 0.00 0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.62 2edy s SER 5 Cb 0.00 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2edy s SER 5 CO 0.00 -1.04 -0.17 -1.20 1.20 0.00 0.00 173.24 172.03 2edy n SER 6 N 7.11 1.34 -3.38 5.45 7.64 -1.26 -5.06 113.62 125.45 2edy n SER 6 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2edy n SER 6 Cb 0.48 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 2.41 -2.66 3.71 0.23 0.00 -1.23 -4.74 105.19 102.92 2edy n GLY 7 Ca -0.13 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.86 1.18 0.00 1.61 0.04 -1.25 -4.88 135.00 130.84 2edy s PRO 8 Ca 0.00 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2edy s PRO 8 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2edy s PRO 8 CO 0.00 -2.29 0.54 0.45 0.04 0.00 0.00 177.00 175.74 2edy n SER 9 N -3.91 1.08 -4.35 6.66 2.88 -1.26 -4.02 113.62 110.69 2edy n SER 9 Ca 0.07 -1.12 -0.20 0.00 -1.33 0.00 0.00 58.87 56.29 2edy n SER 9 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 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 -0.12 1.46 0.22 0.46 0.00 -1.24 -4.78 107.32 103.32 2edy s GLY 10 Ca 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 44.72 43.18 2edy s GLY 10 CO 0.00 -1.72 -0.07 -0.11 0.00 0.00 0.00 173.10 171.20 2edy s PHE 11 N -2.66 2.63 0.90 1.90 -0.71 -1.26 -4.65 117.98 114.12 2edy s PHE 11 Ca 0.21 -0.23 -0.12 0.00 -1.04 0.00 0.00 56.93 55.76 2edy s PHE 11 Cb -0.03 -1.23 0.13 0.00 -1.21 0.00 0.00 43.02 40.69 2edy s PHE 11 CO 0.08 0.57 1.09 -1.25 -1.34 0.00 0.00 175.22 174.37 2edy s PRO 12 N -3.20 1.19 0.51 1.99 0.04 -1.26 -4.61 135.00 129.65 2edy s PRO 12 Ca 0.28 0.80 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2edy s PRO 12 Cb -0.08 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2edy s PRO 12 CO 0.17 -2.28 0.02 -0.65 0.04 0.00 0.00 177.00 174.30 2edy s GLN 13 N -4.94 2.18 -1.53 4.56 -1.52 -1.15 -4.76 119.66 112.50 2edy s GLN 13 Ca 0.64 -2.40 0.00 0.00 -1.95 0.00 0.00 55.36 51.65 2edy s GLN 13 Cb -0.18 -1.36 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 2edy s GLN 13 CO 0.57 -0.42 0.00 0.09 -0.25 0.00 0.00 175.29 175.28 2edy n ASN 14 N -1.32 -4.99 -4.65 5.90 5.03 -1.26 -0.34 115.26 113.63 2edy n ASN 14 Ca -0.18 0.09 -0.43 0.00 0.87 0.00 0.00 54.58 54.92 2edy n ASN 14 Cb 0.67 -4.06 -0.02 0.00 -1.02 0.00 0.00 39.78 35.34 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 -4.61 4.05 0.00 3.41 2.96 -1.26 -3.83 118.68 119.40 2edy s LEU 15 Ca 0.00 1.41 -0.15 0.00 -0.22 0.00 0.00 54.13 55.17 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 -0.85 0.70 0.00 -1.32 0.00 0.00 176.35 174.88 2edy n HIS 16 N 6.87 -0.81 -4.17 5.38 1.44 -1.22 -4.98 115.22 117.73 2edy n HIS 16 Ca 0.13 -0.68 -0.34 0.00 -2.01 0.00 0.00 57.72 54.82 2edy n HIS 16 Cb 0.46 0.33 -0.11 0.00 0.12 0.00 0.00 29.99 30.78 2edy n HIS 16 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2edy s VAL 17 N -2.19 4.28 -0.49 0.61 1.01 -1.26 -1.01 120.40 121.35 2edy s VAL 17 Ca 0.16 -0.21 0.23 0.00 0.00 0.00 0.00 61.98 62.16 2edy s VAL 17 Cb -0.01 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2edy s VAL 17 CO 0.02 0.46 1.18 0.00 0.00 0.00 0.00 175.10 176.77 2edy h THR 18 N 5.09 0.00 -0.13 3.92 1.03 -1.82 -3.44 112.91 117.56 2edy h THR 18 Ca -0.34 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.39 2edy h THR 18 Cb 1.18 1.18 -0.15 0.00 -1.07 0.00 0.00 68.15 69.30 2edy h THR 18 CO 0.65 0.00 -0.10 0.61 -0.01 0.00 0.00 175.52 176.67 2edy n GLY 19 N 1.28 -1.74 3.50 2.99 0.00 -1.26 -5.06 105.19 104.90 2edy n GLY 19 Ca 0.02 1.26 -0.28 0.00 0.00 0.00 0.00 46.02 47.01 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 0.76 0.66 0.06 0.99 2.34 -1.26 -3.20 118.68 119.02 2edy s LEU 20 Ca 0.24 1.31 -0.05 0.00 0.06 0.00 0.00 54.13 55.70 2edy s LEU 20 Cb 0.15 -3.19 -0.02 0.00 -0.56 0.00 0.00 46.19 42.57 2edy s LEU 20 CO -0.10 -4.19 0.07 -0.89 -1.06 0.00 0.00 176.35 170.17 2edy s THR 21 N -2.55 0.18 0.20 5.48 2.01 0.52 -4.75 115.64 116.71 2edy s THR 21 Ca 0.68 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 2edy s THR 21 Cb -0.22 -1.34 0.16 0.00 0.01 0.00 0.00 72.50 71.12 2edy s THR 21 CO 0.62 -0.80 1.67 0.71 -0.69 0.00 0.00 174.62 176.14 2edy h THR 22 N 3.10 0.55 0.00 -0.82 1.35 -1.92 -3.21 112.91 111.96 2edy h THR 22 Ca -0.34 -0.04 -0.36 0.00 -0.55 0.00 0.00 66.41 65.12 2edy h THR 22 Cb 1.17 0.43 -0.07 0.00 -1.73 0.00 0.00 68.15 67.96 2edy h THR 22 CO 0.60 0.02 -2.37 -1.54 -0.25 0.00 0.00 175.52 171.98 2edy n SER 23 N -5.26 1.97 -4.90 5.36 3.41 -1.26 -2.17 113.62 110.77 2edy n SER 23 Ca 0.07 -0.12 -0.20 0.00 -0.26 0.00 0.00 58.87 58.36 2edy n SER 23 Cb 0.30 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.48 3.26 -0.14 6.66 -4.23 -1.22 -0.73 115.64 116.77 2edy s THR 24 Ca -0.31 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2edy s THR 24 Cb 0.08 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.86 2edy s THR 24 CO 0.58 -0.09 0.22 -0.89 -0.54 0.00 0.00 174.62 173.89 2edy s THR 25 N -2.35 -0.34 0.79 3.99 2.01 -1.05 0.19 115.64 118.89 2edy s THR 25 Ca 0.46 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 2edy s THR 25 Cb -0.06 -0.47 0.07 0.00 0.01 0.00 0.00 72.50 72.05 2edy s THR 25 CO 0.28 0.03 1.10 -1.61 -0.69 0.00 0.00 174.62 173.73 2edy s GLU 26 N 2.35 2.12 0.12 4.92 2.02 -1.19 0.12 118.70 129.15 2edy s GLU 26 Ca 0.04 0.56 -0.09 0.00 0.02 0.00 0.00 54.97 55.49 2edy s GLU 26 Cb -0.13 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 2edy s GLU 26 CO -0.09 -1.58 0.24 -0.51 0.02 0.00 0.00 175.26 173.35 2edy s LEU 27 N -5.73 1.18 -0.30 1.80 1.43 0.32 -4.16 118.68 113.22 2edy s LEU 27 Ca 0.61 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 2edy s LEU 27 Cb -0.14 1.17 0.19 0.00 0.03 0.00 0.00 46.19 47.44 2edy s LEU 27 CO 0.54 -0.79 0.82 0.00 0.23 0.00 0.00 176.35 177.14 2edy s ALA 28 N -3.89 -3.04 0.42 4.21 0.00 -0.18 -3.53 121.76 115.76 2edy s ALA 28 Ca 0.09 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.48 2edy s ALA 28 Cb 0.04 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 2edy s ALA 28 CO -0.08 -1.68 0.05 -2.67 0.00 0.00 0.00 175.76 171.39 2edy n TRP 29 N 5.36 0.69 -4.40 0.00 2.14 -0.11 -3.41 117.44 117.70 2edy n TRP 29 Ca 0.01 -2.30 -0.21 0.00 2.07 0.00 0.00 57.50 57.08 2edy n TRP 29 Cb 0.54 -0.18 -0.10 0.00 -0.81 0.00 0.00 31.31 30.75 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 -3.42 2.84 0.57 -0.67 1.11 0.54 -4.68 116.67 112.96 2edy s ASP 30 Ca 0.07 -1.10 -0.18 0.00 0.18 0.00 0.00 52.55 51.52 2edy s ASP 30 Cb 0.00 -0.18 -0.04 0.00 1.07 0.00 0.00 42.92 43.77 2edy s ASP 30 CO 0.05 -0.22 1.13 -2.16 1.18 0.00 0.00 175.17 175.15 2edy s PRO 31 N -3.66 3.22 0.31 8.23 0.04 -1.26 -2.95 135.00 138.93 2edy s PRO 31 Ca 0.27 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 2edy s PRO 31 Cb 0.01 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2edy s PRO 31 CO 0.10 -0.95 1.23 -1.25 0.04 0.00 0.00 177.00 176.18 2edy s PRO 32 N -3.48 4.46 0.17 0.56 0.04 -1.26 -4.44 135.00 131.06 2edy s PRO 32 Ca 0.71 2.06 -0.33 0.00 0.04 0.00 0.00 61.00 63.48 2edy s PRO 32 Cb -0.23 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 31.03 2edy s PRO 32 CO 0.30 -0.04 1.19 1.33 0.04 0.00 0.00 177.00 179.82 2edy n VAL 33 N 0.99 0.85 0.21 -0.36 0.24 -1.26 -4.61 118.33 114.39 2edy n VAL 33 Ca -0.00 -0.21 0.08 0.00 -2.04 0.00 0.00 64.34 62.17 2edy n VAL 33 Cb 0.43 -0.88 0.45 0.00 -1.47 0.00 0.00 33.84 32.37 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 3.48 0.00 0.20 1.34 8.10 -1.92 0.30 115.31 126.81 2edy h LEU 34 Ca -0.44 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.26 2edy h LEU 34 Cb 1.34 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.59 2edy h LEU 34 CO 0.71 0.00 -1.27 0.00 -4.11 0.00 0.00 178.44 173.77 2edy h ALA 35 N 1.16 -0.12 0.04 0.17 0.00 -2.00 -3.36 119.26 115.16 2edy h ALA 35 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 53.98 2edy h ALA 35 Cb 0.68 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2edy h ALA 35 CO 0.00 0.61 -0.54 1.05 0.00 0.00 0.00 179.25 180.37 2edy h GLU 36 N 0.05 0.30 -6.35 0.00 4.11 -0.79 -3.43 114.58 108.47 2edy h GLU 36 Ca -0.22 -0.37 -0.57 0.00 0.07 0.00 0.00 59.36 58.28 2edy h GLU 36 Cb 1.99 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 2edy h GLU 36 CO 0.24 1.09 1.20 -0.98 0.07 0.00 0.00 179.01 180.63 2edy s ARG 37 N -2.91 3.37 0.20 1.06 1.70 -0.50 -3.73 118.95 118.14 2edy s ARG 37 Ca -0.14 1.16 -0.11 0.00 -0.47 0.00 0.00 55.73 56.17 2edy s ARG 37 Cb 0.02 -4.15 0.22 0.00 -0.57 0.00 0.00 34.95 30.47 2edy s ARG 37 CO 0.80 -1.81 1.78 -0.91 -1.08 0.00 0.00 175.30 174.07 2edy h ASN 38 N 12.16 0.37 -0.56 -2.89 2.35 -1.84 -3.45 115.58 121.72 2edy h ASN 38 Ca -0.31 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2edy h ASN 38 Cb 1.14 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2edy h ASN 38 CO 1.07 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 177.70 2edy n GLY 39 N -1.27 6.67 3.91 2.83 0.00 -1.26 -5.11 105.19 110.96 2edy n GLY 39 Ca 0.07 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 2edy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2edy s ARG 40 N 1.29 3.10 -0.01 1.61 0.52 -1.26 -5.06 118.95 119.13 2edy s ARG 40 Ca 0.00 0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.28 2edy s ARG 40 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 2edy s ARG 40 CO 0.00 -0.57 0.08 0.42 0.02 0.00 0.00 175.30 175.25 2edy s ILE 41 N -2.93 4.75 -0.01 1.52 -1.09 -1.26 -4.38 121.20 117.79 2edy s ILE 41 Ca 0.52 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.56 2edy s ILE 41 Cb -0.10 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.60 2edy s ILE 41 CO 0.45 0.36 -0.00 2.30 -1.23 0.00 0.00 174.94 176.83 2edy n ILE 42 N 1.23 0.07 -3.90 2.92 -5.35 -0.34 -5.00 119.36 108.99 2edy n ILE 42 Ca -0.13 -0.04 -0.02 0.00 -0.27 0.00 0.00 62.75 62.29 2edy n ILE 42 Cb 0.53 -0.79 0.02 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 0.01 0.26 7.28 0.01 -1.25 -4.79 113.70 111.67 2edy s SER 43 Ca -0.01 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.66 2edy s SER 43 Cb 0.00 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2edy s SER 43 CO 0.04 -0.88 0.12 -0.31 0.41 0.00 0.00 173.24 172.61 2edy s TYR 44 N -2.13 1.48 -0.29 2.43 1.51 -1.14 -0.45 117.35 118.76 2edy s TYR 44 Ca 0.23 -1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.02 2edy s TYR 44 Cb -0.02 -0.83 0.09 0.00 -0.11 0.00 0.00 41.96 41.09 2edy s TYR 44 CO 0.04 -0.43 0.09 0.99 -1.11 0.00 0.00 175.55 175.13 2edy s THR 45 N -3.79 0.80 -0.78 -0.71 2.01 -0.97 -3.28 115.64 108.91 2edy s THR 45 Ca 0.38 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 2edy s THR 45 Cb 0.07 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 71.05 2edy s THR 45 CO 0.14 -0.62 1.35 -0.69 -0.69 0.00 0.00 174.62 174.12 2edy s VAL 46 N 1.67 3.72 -0.33 3.82 1.01 0.12 -3.51 120.40 126.90 2edy s VAL 46 Ca 0.08 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 2edy s VAL 46 Cb -0.17 -4.87 -0.01 0.00 0.00 0.00 0.00 36.38 31.33 2edy s VAL 46 CO -0.24 -1.80 0.57 -0.69 0.00 0.00 0.00 175.10 172.94 2edy s VAL 47 N 5.88 4.97 -0.01 2.92 1.01 -0.93 -0.12 120.40 134.12 2edy s VAL 47 Ca 0.39 0.61 0.08 0.00 0.00 0.00 0.00 61.98 63.06 2edy s VAL 47 Cb -0.07 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2edy s VAL 47 CO 0.11 -0.17 -0.24 0.72 0.00 0.00 0.00 175.10 175.52 2edy s PHE 48 N 2.51 2.16 0.01 5.22 -0.71 0.86 -0.17 117.98 127.86 2edy s PHE 48 Ca 0.22 -0.41 -0.21 0.00 -1.04 0.00 0.00 56.93 55.49 2edy s PHE 48 Cb -0.15 -1.38 0.04 0.00 -1.21 0.00 0.00 43.02 40.33 2edy s PHE 48 CO 0.13 -0.02 0.48 0.50 -1.34 0.00 0.00 175.22 174.97 2edy s ARG 49 N -0.65 0.93 -0.46 1.99 3.52 -0.20 -1.51 118.95 122.58 2edy s ARG 49 Ca 0.09 -0.17 -0.25 0.00 -0.13 0.00 0.00 55.73 55.28 2edy s ARG 49 Cb -0.09 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2edy s ARG 49 CO -0.01 -0.31 0.89 0.16 -0.81 0.00 0.00 175.30 175.23 2edy s ASP 50 N -1.69 6.48 0.59 -2.12 1.47 -1.21 0.22 116.67 120.42 2edy s ASP 50 Ca -0.08 0.08 0.30 0.00 1.18 0.00 0.00 52.55 54.03 2edy s ASP 50 Cb -0.02 -2.44 1.76 0.00 -0.34 0.00 0.00 42.92 41.89 2edy s ASP 50 CO 0.02 -1.01 2.18 0.16 0.68 0.00 0.00 175.17 177.19 2edy h ILE 51 N 6.05 0.47 -0.01 2.11 3.07 -1.92 0.33 117.51 127.60 2edy h ILE 51 Ca -0.24 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.17 2edy h ILE 51 Cb 1.08 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 2edy h ILE 51 CO 1.01 0.00 -0.15 0.59 -1.05 0.00 0.00 178.15 178.55 2edy n ASN 52 N -3.78 1.02 -3.61 2.16 3.02 -1.26 -4.92 115.26 107.90 2edy n ASN 52 Ca -0.01 -1.00 -0.21 0.00 -0.03 0.00 0.00 54.58 53.33 2edy n ASN 52 Cb 0.20 0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.34 2.01 -0.34 6.41 0.01 0.12 -5.06 113.70 114.50 2edy s SER 53 Ca 0.30 -1.73 0.07 0.00 1.31 0.00 0.00 55.95 55.89 2edy s SER 53 Cb 0.20 0.55 0.53 0.00 0.21 0.00 0.00 66.02 67.51 2edy s SER 53 CO 0.46 -1.02 1.55 0.00 0.41 0.00 0.00 173.24 174.64 2edy n GLN 54 N -0.71 2.06 -3.17 12.44 10.64 -1.26 -4.57 117.38 132.81 2edy n GLN 54 Ca 0.03 -3.24 -0.45 0.00 -1.83 0.00 0.00 57.00 51.51 2edy n GLN 54 Cb 0.63 -1.93 -0.05 0.00 -0.86 0.00 0.00 30.24 28.03 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2edy s GLN 55 N -3.32 3.03 -0.01 2.61 2.00 -1.26 -5.04 119.66 117.66 2edy s GLN 55 Ca 0.48 -1.41 -0.16 0.00 -2.00 0.00 0.00 55.36 52.28 2edy s GLN 55 Cb 0.43 -4.27 -0.06 0.00 0.80 0.00 0.00 33.01 29.91 2edy s GLN 55 CO 0.01 -1.47 0.44 -2.00 -0.50 0.00 0.00 175.29 171.78 2edy s GLU 56 N 2.38 4.03 0.17 1.67 2.12 -1.26 -3.30 118.70 124.51 2edy s GLU 56 Ca 0.09 0.46 -0.17 0.00 0.36 0.00 0.00 54.97 55.71 2edy s GLU 56 Cb -0.26 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 30.91 2edy s GLU 56 CO 0.06 0.60 0.47 -0.51 -0.54 0.00 0.00 175.26 175.34 2edy s LEU 57 N -0.80 0.18 0.21 2.70 1.43 -0.57 -5.02 118.68 116.81 2edy s LEU 57 Ca 0.25 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 2edy s LEU 57 Cb -0.17 2.03 0.05 0.00 0.03 0.00 0.00 46.19 48.13 2edy s LEU 57 CO 0.14 -0.97 0.65 0.00 0.23 0.00 0.00 176.35 176.40 2edy s GLN 58 N -3.84 1.48 0.23 1.70 -2.07 -1.26 -0.10 119.66 115.79 2edy s GLN 58 Ca 0.07 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 2edy s GLN 58 Cb 0.00 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 2edy s GLN 58 CO -0.07 -0.66 0.14 -0.80 -1.32 0.00 0.00 175.29 172.58 2edy s ASN 59 N -2.82 0.53 -0.01 12.60 0.02 0.83 -4.94 114.94 121.15 2edy s ASN 59 Ca 0.05 -1.43 0.01 0.00 -1.02 0.00 0.00 52.86 50.47 2edy s ASN 59 Cb -0.03 0.36 0.01 0.00 0.02 0.00 0.00 41.25 41.61 2edy s ASN 59 CO -0.05 -0.84 -0.02 -0.63 0.02 0.00 0.00 177.10 175.57 2edy s ILE 60 N -4.00 0.26 -0.09 0.60 1.01 -1.26 -0.71 121.20 117.01 2edy s ILE 60 Ca 0.39 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 2edy s ILE 60 Cb 0.07 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.30 2edy s ILE 60 CO 0.14 0.11 0.41 0.28 0.00 0.00 0.00 174.94 175.88 2edy s THR 61 N 0.35 0.02 -1.14 2.92 -1.32 -1.21 -5.02 115.64 110.24 2edy s THR 61 Ca -0.03 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.28 2edy s THR 61 Cb -0.06 -0.65 0.08 0.00 -1.51 0.00 0.00 72.50 70.36 2edy s THR 61 CO -0.01 -0.10 0.72 0.35 -2.21 0.00 0.00 174.62 173.37 2edy n THR 62 N 2.03 0.25 -4.42 5.08 -2.24 -1.26 -2.89 114.28 110.84 2edy n THR 62 Ca -0.17 -0.14 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 2edy n THR 62 Cb 0.57 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.27 3.06 -0.02 3.42 1.11 -1.26 -4.93 116.67 117.77 2edy s ASP 63 Ca 0.06 -1.07 0.02 0.00 0.18 0.00 0.00 52.55 51.74 2edy s ASP 63 Cb 0.04 -0.22 0.09 0.00 1.07 0.00 0.00 42.92 43.90 2edy s ASP 63 CO 0.02 -0.13 0.67 0.35 1.18 0.00 0.00 175.17 177.26 2edy n THR 64 N -0.53 0.30 -4.15 -1.27 -2.24 -1.26 -4.75 114.28 100.37 2edy n THR 64 Ca -0.06 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2edy n THR 64 Cb 0.61 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.25 1.22 -0.15 -0.78 1.70 -1.26 -0.93 118.95 117.50 2edy s ARG 65 Ca 0.06 -1.53 -0.33 0.00 -0.47 0.00 0.00 55.73 53.46 2edy s ARG 65 Cb 0.05 0.30 0.13 0.00 -0.57 0.00 0.00 34.95 34.86 2edy s ARG 65 CO 0.02 -0.42 1.13 0.12 -1.08 0.00 0.00 175.30 175.08 2edy s PHE 66 N -4.12 -0.18 -0.22 5.89 5.36 -1.23 -4.89 117.98 118.59 2edy s PHE 66 Ca 0.34 0.13 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 2edy s PHE 66 Cb 0.06 0.52 0.06 0.00 -0.34 0.00 0.00 43.02 43.32 2edy s PHE 66 CO 0.10 -0.28 0.02 0.99 -1.46 0.00 0.00 175.22 174.59 2edy s THR 67 N -2.50 0.85 1.28 0.12 2.01 -1.26 0.12 115.64 116.27 2edy s THR 67 Ca 0.08 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 2edy s THR 67 Cb -0.01 -1.33 0.32 0.00 0.01 0.00 0.00 72.50 71.49 2edy s THR 67 CO -0.06 -0.24 0.99 -0.76 -0.69 0.00 0.00 174.62 173.86 2edy s LEU 68 N 1.70 -0.04 0.29 4.42 2.01 0.31 -4.76 118.68 122.61 2edy s LEU 68 Ca -0.01 1.19 -0.20 0.00 0.01 0.00 0.00 54.13 55.12 2edy s LEU 68 Cb -0.18 -2.88 0.04 0.00 0.01 0.00 0.00 46.19 43.18 2edy s LEU 68 CO -0.10 -4.72 0.77 0.42 1.01 0.00 0.00 176.35 173.74 2edy s THR 69 N -2.40 0.00 -1.55 5.49 -4.23 -1.26 -2.54 115.64 109.15 2edy s THR 69 Ca 0.69 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 2edy s THR 69 Cb -0.20 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.39 2edy s THR 69 CO 0.62 0.00 0.58 0.61 -0.54 0.00 0.00 174.62 175.89 2edy n GLY 70 N -0.49 -0.52 3.85 3.99 0.00 -1.23 -4.92 105.19 105.86 2edy n GLY 70 Ca -0.05 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.66 3.62 -0.05 0.99 1.43 0.09 -5.07 118.68 113.03 2edy s LEU 71 Ca 0.30 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2edy s LEU 71 Cb -0.14 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2edy s LEU 71 CO 0.37 -0.31 0.24 -0.75 0.23 0.00 0.00 176.35 176.13 2edy s LYS 72 N -3.97 3.59 0.37 1.70 2.20 -1.26 -4.31 119.74 118.05 2edy s LYS 72 Ca 0.40 -0.00 -0.27 0.00 -0.36 0.00 0.00 55.97 55.74 2edy s LYS 72 Cb -0.06 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.01 2edy s LYS 72 CO 0.26 0.72 1.20 -1.25 -0.36 0.00 0.00 175.35 175.92 2edy s PRO 73 N -1.30 4.20 -1.16 4.03 0.04 -0.92 -3.59 135.00 136.30 2edy s PRO 73 Ca 0.21 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2edy s PRO 73 Cb -0.13 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2edy s PRO 73 CO 0.10 -0.23 0.97 -3.47 0.04 0.00 0.00 177.00 174.41 2edy n ASP 74 N 0.40 -2.39 -3.69 6.66 2.03 -1.14 -4.87 116.55 113.55 2edy n ASP 74 Ca 0.02 -0.59 -0.13 0.00 0.52 0.00 0.00 54.79 54.62 2edy n ASP 74 Cb 0.45 -4.91 -0.13 0.00 -0.72 0.00 0.00 41.12 35.81 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 -0.25 0.22 5.18 2.01 -1.24 -4.97 115.64 113.26 2edy s THR 75 Ca 0.05 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2edy s THR 75 Cb -0.02 -0.42 -0.11 0.00 0.01 0.00 0.00 72.50 71.96 2edy s THR 75 CO 0.70 0.09 1.65 -0.89 -0.69 0.00 0.00 174.62 175.48 2edy s THR 76 N 1.93 2.18 -0.26 -0.82 2.01 -1.26 -2.89 115.64 116.53 2edy s THR 76 Ca -0.03 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2edy s THR 76 Cb -0.11 -3.09 0.07 0.00 0.01 0.00 0.00 72.50 69.38 2edy s THR 76 CO -0.09 0.01 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.54 2edy s TYR 77 N 0.86 2.39 -0.66 4.92 2.02 -1.18 -3.42 117.35 122.27 2edy s TYR 77 Ca 0.71 -1.86 -0.26 0.00 -0.37 0.00 0.00 57.07 55.28 2edy s TYR 77 Cb -0.48 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2edy s TYR 77 CO 0.36 -0.80 2.16 0.34 -1.57 0.00 0.00 175.55 176.03 2edy s ASP 78 N 1.39 4.71 -0.13 2.29 -1.08 0.60 -2.12 116.67 122.34 2edy s ASP 78 Ca -0.01 0.33 -0.03 0.00 -0.52 0.00 0.00 52.55 52.31 2edy s ASP 78 Cb -0.19 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 2edy s ASP 78 CO -0.09 -2.90 -0.00 -0.63 0.52 0.00 0.00 175.17 172.06 2edy s ILE 79 N 11.39 4.25 0.21 4.11 1.01 -1.26 -1.03 121.20 139.88 2edy s ILE 79 Ca 0.82 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2edy s ILE 79 Cb -0.13 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2edy s ILE 79 CO 0.16 0.54 0.15 2.29 0.00 0.00 0.00 174.94 178.08 2edy n LYS 80 N 2.85 0.38 -3.62 2.79 2.85 0.76 -1.54 118.16 122.65 2edy n LYS 80 Ca -0.18 -2.03 -0.11 0.00 -1.05 0.00 0.00 58.31 54.94 2edy n LYS 80 Cb 0.53 1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 36.36 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 -2.72 0.06 -0.22 0.58 0.11 -1.26 -2.19 120.40 114.76 2edy s VAL 81 Ca 0.21 -0.52 -0.13 0.00 -2.93 0.00 0.00 61.98 58.60 2edy s VAL 81 Cb 0.01 -1.14 0.07 0.00 -1.53 0.00 0.00 36.38 33.79 2edy s VAL 81 CO 0.15 -0.29 0.55 0.00 -3.33 0.00 0.00 175.10 172.18 2edy s ARG 82 N -3.68 0.56 0.46 1.54 1.70 -1.23 0.41 118.95 118.71 2edy s ARG 82 Ca 0.02 0.99 -0.21 0.00 -0.47 0.00 0.00 55.73 56.06 2edy s ARG 82 Cb 0.01 0.08 -0.09 0.00 -0.57 0.00 0.00 34.95 34.39 2edy s ARG 82 CO -0.11 -0.15 1.04 0.00 -1.08 0.00 0.00 175.30 175.00 2edy s ALA 83 N 1.42 2.94 0.06 7.88 0.00 -1.26 -2.30 121.76 130.49 2edy s ALA 83 Ca -0.09 0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.58 2edy s ALA 83 Cb -0.06 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2edy s ALA 83 CO -0.15 -0.26 -0.23 -1.58 0.00 0.00 0.00 175.76 173.54 2edy s TRP 84 N -1.90 1.99 0.31 0.00 0.52 0.41 -3.69 118.94 116.59 2edy s TRP 84 Ca 0.64 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.45 2edy s TRP 84 Cb -0.18 -1.16 -0.06 0.00 -1.15 0.00 0.00 33.47 30.92 2edy s TRP 84 CO 0.22 0.14 -0.06 0.95 0.02 0.00 0.00 176.95 178.22 2edy s THR 85 N -0.88 1.83 0.57 2.01 -4.23 -0.36 -1.20 115.64 113.37 2edy s THR 85 Ca 0.09 -2.13 0.31 0.00 -1.18 0.00 0.00 61.69 58.78 2edy s THR 85 Cb -0.09 -2.58 0.45 0.00 1.34 0.00 0.00 72.50 71.62 2edy s THR 85 CO 0.03 -0.22 1.78 -1.28 -0.54 0.00 0.00 174.62 174.39 2edy h SER 86 N 2.15 0.00 0.29 3.99 0.87 -1.95 -1.45 113.55 117.44 2edy h SER 86 Ca -0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 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 0.69 0.00 -0.14 0.11 -0.53 0.00 0.00 176.83 176.97 2edy h LYS 87 N 0.00 -0.37 0.00 2.24 1.79 -1.94 -3.51 116.57 114.78 2edy h LYS 87 Ca 0.39 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2edy h LYS 87 Cb 1.84 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.57 2edy h LYS 87 CO -0.00 -0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.56 2edy n GLY 88 N 0.76 0.89 3.64 3.86 0.00 -0.55 -4.84 105.19 108.95 2edy n GLY 88 Ca -0.05 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 3.91 0.00 1.61 0.15 -1.26 -1.22 113.70 118.88 2edy s SER 89 Ca 0.00 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.23 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 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2edy n GLY 90 N -1.02 5.42 3.63 9.45 0.00 -1.24 -3.49 105.19 117.94 2edy n GLY 90 Ca -0.07 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2edy n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edy s PRO 91 N 4.00 -0.47 -0.20 1.61 0.04 -1.26 -4.99 135.00 133.73 2edy s PRO 91 Ca 0.00 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2edy s PRO 91 Cb 0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.90 2edy s PRO 91 CO 0.00 -3.27 -0.16 -0.51 0.04 0.00 0.00 177.00 173.11 2edy s LEU 92 N -6.72 2.44 0.77 -3.56 1.43 -1.26 -4.57 118.68 107.20 2edy s LEU 92 Ca 0.68 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 2edy s LEU 92 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2edy s LEU 92 CO 0.57 -0.03 0.55 -1.54 0.23 0.00 0.00 176.35 176.13 2edy n SER 93 N 4.64 -1.20 -4.64 2.29 3.41 0.16 -4.86 113.62 113.43 2edy n SER 93 Ca -0.20 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 58.54 2edy n SER 93 Cb 0.49 -1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 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 -2.98 3.92 0.56 4.33 0.04 -1.26 -4.37 135.00 135.23 2edy s PRO 94 Ca 0.65 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 2edy s PRO 94 Cb -0.32 -4.00 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 2edy s PRO 94 CO 0.59 -1.14 0.60 -1.13 0.04 0.00 0.00 177.00 175.96 2edy n SER 95 N 7.99 -0.70 -0.05 6.66 3.41 -1.26 -4.86 113.62 124.81 2edy n SER 95 Ca 0.18 0.77 -0.01 0.00 -0.26 0.00 0.00 58.87 59.54 2edy n SER 95 Cb 0.45 -1.20 -0.13 0.00 -0.26 0.00 0.00 64.21 63.06 2edy n SER 95 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2edy n ILE 96 N -1.60 0.66 -3.24 -1.33 -5.35 -0.59 -4.91 119.36 103.00 2edy n ILE 96 Ca 0.12 -0.57 -0.15 0.00 -0.27 0.00 0.00 62.75 61.88 2edy n ILE 96 Cb 0.47 -0.30 0.08 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 -2.40 -5.68 -2.20 6.28 6.02 -1.22 -4.90 117.38 113.27 2edy n GLN 97 Ca -0.17 0.74 -0.42 0.00 -0.01 0.00 0.00 57.00 57.14 2edy n GLN 97 Cb 0.79 -5.43 -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 -4.16 5.97 -0.35 1.08 0.15 -0.90 -4.19 113.70 111.30 2edy s SER 98 Ca 0.01 0.76 -0.29 0.00 0.70 0.00 0.00 55.95 57.13 2edy s SER 98 Cb -0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2edy s SER 98 CO 0.64 -1.74 1.23 -0.60 1.20 0.00 0.00 173.24 173.96 2edy s ARG 99 N 5.65 3.88 0.79 5.44 3.52 -1.26 -3.12 118.95 133.84 2edy s ARG 99 Ca 0.66 1.04 -0.17 0.00 -0.13 0.00 0.00 55.73 57.12 2edy s ARG 99 Cb -0.15 -3.87 -0.12 0.00 -1.56 0.00 0.00 34.95 29.25 2edy s ARG 99 CO 0.29 -1.17 -0.29 0.25 -0.81 0.00 0.00 175.30 173.57 2edy n THR 100 N 6.35 0.27 -2.17 4.11 -2.24 -1.14 -4.76 114.28 114.69 2edy n THR 100 Ca 0.14 -0.46 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 2edy n THR 100 Cb 0.47 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.89 4.37 -0.60 -0.78 0.00 -1.23 -2.90 119.30 116.28 2edy s MET 101 Ca 0.51 2.14 -0.27 0.00 0.00 0.00 0.00 55.69 58.07 2edy s MET 101 Cb -0.32 -3.06 -0.02 0.00 0.00 0.00 0.00 34.83 31.43 2edy s MET 101 CO 0.72 -0.14 1.85 -1.25 0.00 0.00 0.00 175.02 176.20 2edy s PRO 102 N -1.78 2.67 0.00 3.16 0.04 -1.26 -3.52 135.00 134.31 2edy s PRO 102 Ca 0.49 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2edy s PRO 102 Cb -0.38 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2edy s PRO 102 CO 0.50 -2.68 0.12 1.55 0.04 0.00 0.00 177.00 176.53