#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 5.09 0.05 1.61 0.15 -1.26 -5.07 113.70 114.27 2edy s SER 2 Ca 0.00 -3.48 -0.30 0.00 0.70 0.00 0.00 55.95 52.86 2edy s SER 2 Cb 0.00 -1.74 -0.08 0.00 -1.71 0.00 0.00 66.02 62.48 2edy s SER 2 CO 0.00 -0.19 1.77 -0.55 1.20 0.00 0.00 173.24 175.48 2edy s SER 3 N -0.53 6.54 0.00 5.45 0.15 -1.26 -4.90 113.70 119.16 2edy s SER 3 Ca 0.23 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.41 2edy s SER 3 Cb -0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2edy s SER 3 CO -0.10 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2edy n GLY 4 N 4.22 0.14 3.28 9.45 0.00 -1.26 -5.16 105.19 115.86 2edy n GLY 4 Ca 0.18 0.68 -0.32 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 3.19 0.01 1.61 0.01 -1.26 -5.13 113.70 112.13 2edy s SER 5 Ca 0.00 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 2edy s SER 5 Cb 0.00 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.22 2edy s SER 5 CO 0.00 0.23 0.05 -0.94 0.41 0.00 0.00 173.24 172.99 2edy s SER 6 N -0.06 0.11 0.00 2.44 1.04 -1.26 -5.14 113.70 110.83 2edy s SER 6 Ca -0.06 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2edy s SER 6 Cb -0.15 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2edy s SER 6 CO 0.05 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2edy n GLY 7 N 1.75 2.94 3.77 7.32 0.00 -1.26 -4.38 105.19 115.33 2edy n GLY 7 Ca -0.22 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 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 -2.17 3.57 -0.16 1.61 0.04 -1.26 -4.84 135.00 131.79 2edy s PRO 8 Ca 0.00 1.70 0.17 0.00 0.04 0.00 0.00 61.00 62.91 2edy s PRO 8 Cb 0.00 -2.21 0.37 0.00 0.04 0.00 0.00 34.50 32.70 2edy s PRO 8 CO 0.00 -0.69 1.24 -1.13 0.04 0.00 0.00 177.00 176.46 2edy n SER 9 N -0.87 2.65 -3.53 6.66 3.41 -1.26 -3.77 113.62 116.90 2edy n SER 9 Ca 0.09 -3.20 -0.17 0.00 -0.26 0.00 0.00 58.87 55.33 2edy n SER 9 Cb 0.49 -0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.68 -0.02 0.65 5.00 0.00 -1.26 -4.96 107.32 104.05 2edy s GLY 10 Ca 0.36 0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.34 2edy s GLY 10 CO 0.03 2.08 1.07 -0.11 0.00 0.00 0.00 173.10 176.17 2edy s PHE 11 N 2.34 2.93 1.10 1.90 -0.71 -1.26 -4.73 117.98 119.55 2edy s PHE 11 Ca 0.06 1.50 -0.16 0.00 -1.04 0.00 0.00 56.93 57.29 2edy s PHE 11 Cb -0.15 -3.00 0.24 0.00 -1.21 0.00 0.00 43.02 38.90 2edy s PHE 11 CO -0.11 -1.30 1.10 -1.25 -1.34 0.00 0.00 175.22 172.33 2edy s PRO 12 N -4.41 -0.43 0.29 1.99 0.04 -1.26 -4.70 135.00 126.52 2edy s PRO 12 Ca 0.62 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.90 2edy s PRO 12 Cb -0.16 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2edy s PRO 12 CO 0.44 -3.24 0.08 1.04 0.04 0.00 0.00 177.00 175.36 2edy n GLN 13 N -4.48 0.80 -2.24 4.56 1.13 -0.95 -4.81 117.38 111.39 2edy n GLN 13 Ca 0.09 -2.35 -0.19 0.00 -1.94 0.00 0.00 57.00 52.61 2edy n GLN 13 Cb 0.58 1.14 -0.02 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 -1.60 -5.36 -4.57 1.08 5.03 -1.26 -0.09 115.26 108.49 2edy n ASN 14 Ca -0.06 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.09 2edy n ASN 14 Cb 0.41 -4.54 -0.03 0.00 -1.02 0.00 0.00 39.78 34.61 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 -5.66 3.39 0.00 3.41 2.96 -1.26 -3.81 118.68 117.70 2edy s LEU 15 Ca 0.00 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2edy s LEU 15 Cb 0.00 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.68 2edy s LEU 15 CO 0.00 -1.66 0.38 0.00 -1.32 0.00 0.00 176.35 173.75 2edy n HIS 16 N 9.25 -1.37 -3.82 5.38 1.44 -1.17 -4.90 115.22 120.02 2edy n HIS 16 Ca 0.10 -1.42 -0.36 0.00 -2.01 0.00 0.00 57.72 54.03 2edy n HIS 16 Cb 0.49 0.44 -0.13 0.00 0.12 0.00 0.00 29.99 30.91 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 -2.59 3.78 0.12 0.61 1.01 -1.26 -2.11 120.40 119.96 2edy s VAL 17 Ca 0.16 -0.53 0.21 0.00 0.00 0.00 0.00 61.98 61.82 2edy s VAL 17 Cb -0.02 -2.83 0.18 0.00 0.00 0.00 0.00 36.38 33.71 2edy s VAL 17 CO 0.12 0.26 1.75 0.00 0.00 0.00 0.00 175.10 177.23 2edy h THR 18 N 5.76 0.72 0.00 3.92 1.03 -1.83 -3.43 112.91 119.07 2edy h THR 18 Ca -0.36 -1.38 0.00 0.00 -0.01 0.00 0.00 66.41 64.65 2edy h THR 18 Cb 1.15 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 70.12 2edy h THR 18 CO 0.59 0.30 0.00 0.61 -0.01 0.00 0.00 175.52 177.02 2edy n GLY 19 N 0.28 -1.46 3.57 2.99 0.00 -1.26 -5.05 105.19 104.26 2edy n GLY 19 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.73 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 0.95 0.02 0.99 -0.00 -1.26 -2.39 118.68 116.98 2edy s LEU 20 Ca 0.00 1.19 -0.07 0.00 -0.00 0.00 0.00 54.13 55.26 2edy s LEU 20 Cb 0.00 -3.15 -0.00 0.00 -0.00 0.00 0.00 46.19 43.03 2edy s LEU 20 CO 0.00 -3.85 0.13 -0.89 -0.00 0.00 0.00 176.35 171.74 2edy s THR 21 N -2.74 0.10 0.24 5.48 2.01 0.37 -4.65 115.64 116.45 2edy s THR 21 Ca 0.67 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 2edy s THR 21 Cb -0.20 -0.64 0.30 0.00 0.01 0.00 0.00 72.50 71.98 2edy s THR 21 CO 0.60 -0.47 1.56 0.71 -0.69 0.00 0.00 174.62 176.33 2edy h THR 22 N 3.98 0.03 0.00 -0.82 1.35 -1.91 -3.12 112.91 112.42 2edy h THR 22 Ca -0.32 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.21 2edy h THR 22 Cb 1.19 0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 67.59 2edy h THR 22 CO 0.45 0.00 -2.24 -1.20 -0.25 0.00 0.00 175.52 172.28 2edy n SER 23 N -5.52 2.17 -4.98 5.36 7.64 -1.26 -2.06 113.62 114.97 2edy n SER 23 Ca 0.11 -0.02 -0.19 0.00 1.01 0.00 0.00 58.87 59.78 2edy n SER 23 Cb 0.43 -0.42 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -2.43 2.51 -0.26 0.44 -4.23 -1.18 0.19 115.64 110.68 2edy s THR 24 Ca -0.30 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.24 2edy s THR 24 Cb 0.09 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.47 2edy s THR 24 CO 0.47 0.00 0.53 -0.89 -0.54 0.00 0.00 174.62 174.19 2edy s THR 25 N -2.62 -0.84 0.77 3.99 2.01 -1.03 0.14 115.64 118.06 2edy s THR 25 Ca 0.59 0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.52 2edy s THR 25 Cb -0.08 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.60 2edy s THR 25 CO 0.37 -0.00 1.08 -1.61 -0.69 0.00 0.00 174.62 173.77 2edy s GLU 26 N 2.75 2.32 0.10 4.92 2.02 -1.01 0.61 118.70 130.42 2edy s GLU 26 Ca 0.05 1.02 -0.05 0.00 0.02 0.00 0.00 54.97 56.01 2edy s GLU 26 Cb -0.13 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 2edy s GLU 26 CO -0.17 -1.55 0.13 -0.51 0.02 0.00 0.00 175.26 173.17 2edy s LEU 27 N -5.83 1.67 -0.30 1.80 1.43 0.41 -3.99 118.68 113.86 2edy s LEU 27 Ca 0.60 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2edy s LEU 27 Cb -0.16 0.70 0.18 0.00 0.03 0.00 0.00 46.19 46.94 2edy s LEU 27 CO 0.56 -0.73 0.87 0.00 0.23 0.00 0.00 176.35 177.28 2edy s ALA 28 N -3.94 -2.94 0.40 4.21 0.00 -0.90 -3.56 121.76 115.04 2edy s ALA 28 Ca 0.12 1.64 0.04 0.00 0.00 0.00 0.00 51.96 53.76 2edy s ALA 28 Cb 0.06 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 2edy s ALA 28 CO -0.06 -1.37 0.16 1.67 0.00 0.00 0.00 175.76 176.16 2edy s TRP 29 N 2.89 1.77 0.17 0.00 -2.14 -0.55 -3.05 118.94 118.03 2edy s TRP 29 Ca 0.07 -1.37 0.10 0.00 2.66 0.00 0.00 56.10 57.56 2edy s TRP 29 Cb -0.12 -1.08 -0.04 0.00 -3.10 0.00 0.00 33.47 29.13 2edy s TRP 29 CO -0.15 -0.41 -0.21 0.16 -2.66 0.00 0.00 176.95 173.67 2edy s ASP 30 N -3.58 3.04 0.96 -2.66 1.47 0.88 -4.69 116.67 112.10 2edy s ASP 30 Ca 0.26 -0.85 -0.12 0.00 1.18 0.00 0.00 52.55 53.02 2edy s ASP 30 Cb 0.02 -0.20 0.17 0.00 -0.34 0.00 0.00 42.92 42.56 2edy s ASP 30 CO 0.17 0.05 1.09 -2.16 0.68 0.00 0.00 175.17 175.00 2edy s PRO 31 N -2.65 0.72 0.04 2.11 0.04 -1.26 -2.24 135.00 131.77 2edy s PRO 31 Ca 0.17 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 2edy s PRO 31 Cb -0.07 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2edy s PRO 31 CO 0.08 -2.56 1.42 -1.25 0.04 0.00 0.00 177.00 174.72 2edy s PRO 32 N -4.95 4.29 0.26 0.56 0.04 -1.26 -4.38 135.00 129.56 2edy s PRO 32 Ca 0.65 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.44 2edy s PRO 32 Cb -0.18 -3.47 -0.15 0.00 0.04 0.00 0.00 34.50 30.73 2edy s PRO 32 CO 0.57 -0.54 0.72 1.33 0.04 0.00 0.00 177.00 179.12 2edy n VAL 33 N 4.44 1.95 0.23 -0.36 0.24 -1.26 -4.74 118.33 118.82 2edy n VAL 33 Ca 0.13 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.08 2edy n VAL 33 Cb 0.43 -0.46 0.63 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.38 0.00 -0.59 1.34 -0.00 -2.00 0.45 115.31 115.89 2edy h LEU 34 Ca -0.34 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.40 2edy h LEU 34 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.04 2edy h LEU 34 CO 0.58 0.00 -0.35 0.00 -0.00 0.00 0.00 178.44 178.67 2edy h ALA 35 N 1.09 0.77 -3.12 0.17 0.00 -2.02 -3.37 119.26 112.77 2edy h ALA 35 Ca 0.09 -0.43 -0.70 0.00 0.00 0.00 0.00 54.91 53.87 2edy h ALA 35 Cb 1.19 -0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 2edy h ALA 35 CO -0.00 0.65 -0.31 -1.21 0.00 0.00 0.00 179.25 178.39 2edy s GLU 36 N -4.39 2.71 -0.24 0.00 0.41 0.16 -5.02 118.70 112.32 2edy s GLU 36 Ca -0.09 -2.64 -0.17 0.00 -0.41 0.00 0.00 54.97 51.66 2edy s GLU 36 Cb 0.12 -3.79 0.07 0.00 -1.78 0.00 0.00 34.13 28.74 2edy s GLU 36 CO 0.85 -1.19 0.61 1.03 -0.49 0.00 0.00 175.26 176.07 2edy s ARG 37 N -0.24 0.67 -0.56 1.61 0.52 -1.26 -4.42 118.95 115.27 2edy s ARG 37 Ca 0.18 1.00 0.02 0.00 -0.52 0.00 0.00 55.73 56.41 2edy s ARG 37 Cb -0.18 0.21 0.43 0.00 0.52 0.00 0.00 34.95 35.93 2edy s ARG 37 CO -0.05 -0.12 1.64 0.09 0.02 0.00 0.00 175.30 176.88 2edy n ASN 38 N 3.61 6.37 0.00 0.23 3.02 -1.26 -4.99 115.26 122.24 2edy n ASN 38 Ca -0.18 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.60 2edy n ASN 38 Cb 0.57 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.71 0.90 3.19 7.41 0.00 -1.26 -4.88 105.19 109.84 2edy n GLY 39 Ca 0.52 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.60 0.13 1.61 0.52 -1.26 -5.16 118.95 115.39 2edy s ARG 40 Ca 0.00 -0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 54.81 2edy s ARG 40 Cb 0.00 0.26 -0.07 0.00 0.52 0.00 0.00 34.95 35.66 2edy s ARG 40 CO 0.00 -0.16 0.52 0.42 0.02 0.00 0.00 175.30 176.10 2edy s ILE 41 N -1.35 4.90 -0.04 1.52 -1.09 -1.26 -4.27 121.20 119.61 2edy s ILE 41 Ca -0.14 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 2edy s ILE 41 Cb -0.06 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2edy s ILE 41 CO 0.03 0.26 -0.02 2.30 -1.23 0.00 0.00 174.94 176.29 2edy n ILE 42 N 0.86 0.26 -3.72 2.92 -5.35 -0.76 -5.01 119.36 108.55 2edy n ILE 42 Ca -0.06 -0.12 -0.02 0.00 -0.27 0.00 0.00 62.75 62.28 2edy n ILE 42 Cb 0.52 -0.75 -0.01 0.00 -1.74 0.00 0.00 39.64 37.66 2edy n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2edy s SER 43 N -4.07 -0.12 0.16 7.28 0.15 -1.26 -4.76 113.70 111.08 2edy s SER 43 Ca -0.05 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.35 2edy s SER 43 Cb 0.01 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2edy s SER 43 CO 0.12 -0.69 -0.16 -0.31 1.20 0.00 0.00 173.24 173.40 2edy s TYR 44 N -2.90 1.66 -0.27 3.44 1.51 -1.18 -1.14 117.35 118.47 2edy s TYR 44 Ca 0.14 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 2edy s TYR 44 Cb 0.01 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 41.06 2edy s TYR 44 CO 0.00 0.27 -0.04 0.99 -1.11 0.00 0.00 175.55 175.66 2edy s THR 45 N -2.24 2.84 -0.65 -0.71 2.01 -0.92 -2.92 115.64 113.05 2edy s THR 45 Ca 0.15 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 2edy s THR 45 Cb -0.05 -2.54 0.07 0.00 0.01 0.00 0.00 72.50 70.00 2edy s THR 45 CO 0.05 0.06 0.93 -0.69 -0.69 0.00 0.00 174.62 174.28 2edy s VAL 46 N 1.27 4.39 -0.40 3.82 1.01 -0.13 -3.17 120.40 127.19 2edy s VAL 46 Ca -0.03 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2edy s VAL 46 Cb -0.18 -4.65 0.01 0.00 0.00 0.00 0.00 36.38 31.56 2edy s VAL 46 CO -0.03 -1.40 0.60 -0.69 0.00 0.00 0.00 175.10 173.58 2edy s VAL 47 N 3.88 4.89 -0.09 2.92 1.01 -0.85 -0.76 120.40 131.39 2edy s VAL 47 Ca 0.21 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2edy s VAL 47 Cb -0.18 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2edy s VAL 47 CO 0.10 -0.45 -0.23 0.72 0.00 0.00 0.00 175.10 175.24 2edy s PHE 48 N 2.67 2.41 -0.02 5.22 -0.71 0.67 -0.14 117.98 128.08 2edy s PHE 48 Ca 0.22 -0.93 -0.13 0.00 -1.04 0.00 0.00 56.93 55.05 2edy s PHE 48 Cb -0.15 -1.61 0.02 0.00 -1.21 0.00 0.00 43.02 40.07 2edy s PHE 48 CO 0.17 -0.36 0.28 0.50 -1.34 0.00 0.00 175.22 174.46 2edy s ARG 49 N 0.27 0.62 -0.35 1.99 3.52 -0.52 -1.91 118.95 122.56 2edy s ARG 49 Ca -0.15 -0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 2edy s ARG 49 Cb -0.17 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2edy s ARG 49 CO 0.07 -0.16 1.14 -0.51 -0.81 0.00 0.00 175.30 175.03 2edy s ASP 50 N -1.26 6.81 0.00 -2.12 1.11 -1.24 0.96 116.67 120.94 2edy s ASP 50 Ca -0.13 0.94 0.04 0.00 0.18 0.00 0.00 52.55 53.57 2edy s ASP 50 Cb -0.05 -2.54 0.17 0.00 1.07 0.00 0.00 42.92 41.56 2edy s ASP 50 CO 0.04 -1.01 1.01 2.30 1.18 0.00 0.00 175.17 178.68 2edy n ILE 51 N 6.18 1.30 0.56 0.77 -5.35 -1.23 -0.51 119.36 121.07 2edy n ILE 51 Ca 0.13 0.33 0.10 0.00 -0.27 0.00 0.00 62.75 63.03 2edy n ILE 51 Cb 0.47 -1.27 -0.13 0.00 -1.74 0.00 0.00 39.64 36.98 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 -1.37 0.69 -4.01 7.28 3.02 -1.26 -5.00 115.26 114.61 2edy n ASN 52 Ca 0.01 -0.58 -0.26 0.00 -0.03 0.00 0.00 54.58 53.73 2edy n ASN 52 Cb 0.03 1.37 -0.08 0.00 -0.61 0.00 0.00 39.78 40.50 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 -3.46 2.77 -0.26 6.41 0.01 0.33 -5.05 113.70 114.45 2edy s SER 53 Ca 0.01 -1.72 0.13 0.00 1.31 0.00 0.00 55.95 55.68 2edy s SER 53 Cb 0.14 0.57 0.63 0.00 0.21 0.00 0.00 66.02 67.57 2edy s SER 53 CO 0.83 -0.98 1.60 0.00 0.41 0.00 0.00 173.24 175.10 2edy n GLN 54 N -0.92 3.18 -2.77 12.44 0.00 -1.26 -4.56 117.38 123.49 2edy n GLN 54 Ca -0.05 -3.02 -0.42 0.00 0.00 0.00 0.00 57.00 53.50 2edy n GLN 54 Cb 0.64 -2.01 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.96 3.14 0.12 2.61 2.00 -1.26 -5.02 119.66 118.29 2edy s GLN 55 Ca 0.48 -0.69 -0.18 0.00 -2.00 0.00 0.00 55.36 52.97 2edy s GLN 55 Cb 0.40 -4.24 -0.07 0.00 0.80 0.00 0.00 33.01 29.90 2edy s GLN 55 CO 0.10 -1.91 0.60 -2.00 -0.50 0.00 0.00 175.29 171.57 2edy s GLU 56 N 4.50 4.17 -0.01 1.67 2.12 -1.26 -3.62 118.70 126.27 2edy s GLU 56 Ca 0.26 0.72 -0.15 0.00 0.36 0.00 0.00 54.97 56.15 2edy s GLU 56 Cb -0.14 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2edy s GLU 56 CO 0.11 0.56 0.32 -0.51 -0.54 0.00 0.00 175.26 175.20 2edy s LEU 57 N -1.47 0.79 0.10 2.70 1.43 -0.80 -5.01 118.68 116.42 2edy s LEU 57 Ca 0.34 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2edy s LEU 57 Cb -0.18 1.33 -0.01 0.00 0.03 0.00 0.00 46.19 47.36 2edy s LEU 57 CO 0.20 -0.47 0.18 -1.10 0.23 0.00 0.00 176.35 175.39 2edy s GLN 58 N -1.43 0.89 0.25 1.70 -0.21 -1.26 -0.24 119.66 119.36 2edy s GLN 58 Ca -0.13 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.14 2edy s GLN 58 Cb -0.05 0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.27 2edy s GLN 58 CO 0.04 -0.28 0.31 -0.80 -2.12 0.00 0.00 175.29 172.43 2edy s ASN 59 N -2.90 0.33 -0.01 5.90 0.02 0.06 -4.95 114.94 113.38 2edy s ASN 59 Ca 0.09 -1.29 -0.01 0.00 -1.02 0.00 0.00 52.86 50.63 2edy s ASN 59 Cb 0.05 0.50 0.00 0.00 0.02 0.00 0.00 41.25 41.83 2edy s ASN 59 CO -0.08 -1.02 0.02 -0.63 0.02 0.00 0.00 177.10 175.41 2edy s ILE 60 N -3.88 -0.00 -0.21 0.60 1.01 -1.26 -0.96 121.20 116.49 2edy s ILE 60 Ca 0.33 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 2edy s ILE 60 Cb 0.03 -0.04 0.06 0.00 0.01 0.00 0.00 42.46 42.52 2edy s ILE 60 CO 0.14 0.00 0.53 0.28 0.00 0.00 0.00 174.94 175.89 2edy s THR 61 N 0.05 -0.01 -1.49 2.92 -1.32 -1.15 -5.01 115.64 109.63 2edy s THR 61 Ca -0.00 0.04 0.12 0.00 -1.21 0.00 0.00 61.69 60.63 2edy s THR 61 Cb -0.01 -0.77 0.23 0.00 -1.51 0.00 0.00 72.50 70.44 2edy s THR 61 CO -0.00 0.02 1.28 0.35 -2.21 0.00 0.00 174.62 174.05 2edy n THR 62 N 3.80 0.61 -3.95 5.08 -2.24 -1.26 -3.13 114.28 113.19 2edy n THR 62 Ca -0.19 0.15 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 2edy n THR 62 Cb 0.57 -0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.51 5.81 -0.01 3.42 1.11 -1.26 -4.87 116.67 118.36 2edy s ASP 63 Ca 0.12 -0.17 0.01 0.00 0.18 0.00 0.00 52.55 52.69 2edy s ASP 63 Cb 0.08 -1.47 0.05 0.00 1.07 0.00 0.00 42.92 42.65 2edy s ASP 63 CO 0.18 -0.14 0.73 0.35 1.18 0.00 0.00 175.17 177.47 2edy n THR 64 N -1.34 0.14 -4.24 -1.27 -2.24 -1.26 -4.73 114.28 99.35 2edy n THR 64 Ca -0.06 -0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2edy n THR 64 Cb 0.58 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.38 1.21 0.04 -0.78 1.70 -1.26 -1.48 118.95 117.00 2edy s ARG 65 Ca 0.03 -1.63 -0.28 0.00 -0.47 0.00 0.00 55.73 53.39 2edy s ARG 65 Cb 0.02 0.01 0.09 0.00 -0.57 0.00 0.00 34.95 34.50 2edy s ARG 65 CO 0.01 -0.30 0.98 0.12 -1.08 0.00 0.00 175.30 175.04 2edy s PHE 66 N -3.93 -0.21 -0.20 5.89 5.36 -1.23 -4.86 117.98 118.80 2edy s PHE 66 Ca 0.34 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2edy s PHE 66 Cb 0.07 0.58 0.07 0.00 -0.34 0.00 0.00 43.02 43.40 2edy s PHE 66 CO 0.10 -0.60 0.07 0.99 -1.46 0.00 0.00 175.22 174.32 2edy s THR 67 N -3.06 0.21 1.30 0.12 2.01 -1.26 0.15 115.64 115.12 2edy s THR 67 Ca 0.09 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.47 2edy s THR 67 Cb -0.01 -0.86 0.33 0.00 0.01 0.00 0.00 72.50 71.98 2edy s THR 67 CO -0.04 -0.32 0.97 -0.76 -0.69 0.00 0.00 174.62 173.79 2edy s LEU 68 N 1.99 -0.20 0.26 4.42 2.01 0.20 -4.74 118.68 122.63 2edy s LEU 68 Ca 0.02 1.19 -0.21 0.00 0.01 0.00 0.00 54.13 55.14 2edy s LEU 68 Cb -0.17 -2.85 0.03 0.00 0.01 0.00 0.00 46.19 43.22 2edy s LEU 68 CO -0.12 -4.84 0.71 0.42 1.01 0.00 0.00 176.35 173.53 2edy s THR 69 N -2.35 0.00 -1.36 5.49 -4.23 -1.26 -2.48 115.64 109.46 2edy s THR 69 Ca 0.69 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 60.27 2edy s THR 69 Cb -0.20 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2edy s THR 69 CO 0.62 0.00 0.88 0.61 -0.54 0.00 0.00 174.62 176.19 2edy n GLY 70 N -0.45 -0.39 3.72 3.99 0.00 -1.19 -4.87 105.19 106.00 2edy n GLY 70 Ca -0.06 0.16 -0.24 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 -6.86 3.14 -0.05 0.99 1.43 0.13 -5.03 118.68 112.41 2edy s LEU 71 Ca 0.25 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 2edy s LEU 71 Cb -0.12 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 2edy s LEU 71 CO 0.79 -0.40 0.29 -0.75 0.23 0.00 0.00 176.35 176.51 2edy s LYS 72 N -3.85 3.71 0.53 1.70 2.20 -1.26 -4.13 119.74 118.65 2edy s LYS 72 Ca 0.39 0.18 -0.20 0.00 -0.36 0.00 0.00 55.97 55.98 2edy s LYS 72 Cb 0.01 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2edy s LYS 72 CO 0.22 0.73 1.13 -1.25 -0.36 0.00 0.00 175.35 175.82 2edy s PRO 73 N -1.07 3.41 -1.51 4.03 0.04 -0.88 -3.45 135.00 135.57 2edy s PRO 73 Ca 0.20 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 2edy s PRO 73 Cb -0.15 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.42 2edy s PRO 73 CO 0.09 -0.81 0.92 -3.47 0.04 0.00 0.00 177.00 173.77 2edy n ASP 74 N -1.20 -4.08 -3.81 6.66 2.03 -1.20 -4.87 116.55 110.08 2edy n ASP 74 Ca 0.11 -0.81 -0.18 0.00 0.52 0.00 0.00 54.79 54.44 2edy n ASP 74 Cb 0.51 -3.82 -0.16 0.00 -0.72 0.00 0.00 41.12 36.92 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 -3.37 0.19 0.23 5.18 2.01 -1.22 -4.95 115.64 113.70 2edy s THR 75 Ca 0.55 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 2edy s THR 75 Cb -0.28 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.84 2edy s THR 75 CO 0.84 0.15 1.43 -0.89 -0.69 0.00 0.00 174.62 175.46 2edy s THR 76 N 1.11 2.76 -0.24 -0.82 2.01 -1.26 -2.92 115.64 116.27 2edy s THR 76 Ca -0.09 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.53 2edy s THR 76 Cb -0.13 -3.40 0.07 0.00 0.01 0.00 0.00 72.50 69.05 2edy s THR 76 CO -0.02 0.09 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.68 2edy s TYR 77 N 0.16 2.14 -0.73 4.92 2.02 -0.73 -3.56 117.35 121.57 2edy s TYR 77 Ca 0.60 -1.66 -0.26 0.00 -0.37 0.00 0.00 57.07 55.39 2edy s TYR 77 Cb -0.41 -1.57 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 2edy s TYR 77 CO 0.41 -0.76 2.07 0.34 -1.57 0.00 0.00 175.55 176.03 2edy s ASP 78 N 1.48 4.86 -0.12 2.29 -1.08 0.27 -1.91 116.67 122.46 2edy s ASP 78 Ca -0.02 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 51.98 2edy s ASP 78 Cb -0.18 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.70 2edy s ASP 78 CO -0.09 -2.85 0.01 -0.63 0.52 0.00 0.00 175.17 172.13 2edy s ILE 79 N 10.90 4.36 0.23 4.11 1.01 -1.26 -1.44 121.20 139.12 2edy s ILE 79 Ca 0.77 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.25 2edy s ILE 79 Cb -0.11 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 2edy s ILE 79 CO 0.11 0.55 0.16 2.29 0.00 0.00 0.00 174.94 178.06 2edy n LYS 80 N 2.70 0.39 -3.87 2.79 2.85 0.80 -1.55 118.16 122.26 2edy n LYS 80 Ca -0.18 -2.24 -0.09 0.00 -1.05 0.00 0.00 58.31 54.75 2edy n LYS 80 Cb 0.53 1.66 -0.05 0.00 -0.65 0.00 0.00 35.03 36.52 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 -2.81 0.05 -0.28 0.58 0.11 -1.26 -2.01 120.40 114.78 2edy s VAL 81 Ca 0.23 -1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 57.95 2edy s VAL 81 Cb 0.01 -1.75 0.09 0.00 -1.53 0.00 0.00 36.38 33.20 2edy s VAL 81 CO 0.16 -0.21 0.77 0.00 -3.33 0.00 0.00 175.10 172.49 2edy s ARG 82 N -3.93 0.69 0.24 1.54 1.70 -1.19 0.25 118.95 118.26 2edy s ARG 82 Ca 0.14 1.02 -0.29 0.00 -0.47 0.00 0.00 55.73 56.14 2edy s ARG 82 Cb 0.01 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2edy s ARG 82 CO -0.01 -0.12 0.92 0.00 -1.08 0.00 0.00 175.30 175.01 2edy s ALA 83 N 1.05 3.33 0.12 7.88 0.00 -1.26 -2.17 121.76 130.71 2edy s ALA 83 Ca -0.05 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.56 2edy s ALA 83 Cb -0.05 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2edy s ALA 83 CO -0.11 0.22 -0.16 -1.58 0.00 0.00 0.00 175.76 174.13 2edy s TRP 84 N -1.25 2.59 0.34 0.00 0.52 -0.29 -3.54 118.94 117.31 2edy s TRP 84 Ca 0.42 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.37 2edy s TRP 84 Cb -0.24 -1.36 -0.07 0.00 -1.15 0.00 0.00 33.47 30.65 2edy s TRP 84 CO 0.30 0.40 -0.03 0.95 0.02 0.00 0.00 176.95 178.59 2edy s THR 85 N -1.18 1.84 0.60 2.01 -4.23 0.05 -1.83 115.64 112.90 2edy s THR 85 Ca 0.19 -2.10 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 2edy s THR 85 Cb -0.11 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.39 2edy s THR 85 CO 0.11 -0.15 1.94 0.77 -0.54 0.00 0.00 174.62 176.76 2edy h SER 86 N 2.05 0.00 0.00 3.99 4.64 -1.96 -2.37 113.55 119.89 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 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2edy h SER 86 CO 0.72 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 176.78 2edy h LYS 87 N 0.00 0.00 0.00 4.77 6.56 -1.94 -3.51 116.57 122.45 2edy h LYS 87 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2edy h LYS 87 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 2edy h LYS 87 CO -0.00 0.07 0.00 0.41 -2.06 0.00 0.00 179.45 177.86 2edy n GLY 88 N 1.77 1.95 3.55 3.86 0.00 -0.89 -4.95 105.19 110.48 2edy n GLY 88 Ca -0.01 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 3.01 0.00 1.61 1.04 -1.26 -0.77 113.70 119.33 2edy s SER 89 Ca 0.00 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2edy s SER 89 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2edy s SER 89 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2edy n GLY 90 N -0.94 5.35 3.59 7.32 0.00 -1.23 -4.01 105.19 115.26 2edy n GLY 90 Ca -0.08 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 3.49 -1.34 -0.18 1.61 0.04 -1.25 -4.99 135.00 132.38 2edy s PRO 91 Ca 0.00 -0.11 0.01 0.00 0.04 0.00 0.00 61.00 60.94 2edy s PRO 91 Cb 0.00 -1.59 0.01 0.00 0.04 0.00 0.00 34.50 32.97 2edy s PRO 91 CO 0.00 -3.78 -0.19 -0.51 0.04 0.00 0.00 177.00 172.56 2edy s LEU 92 N -6.97 2.21 0.80 -3.56 1.43 -1.26 -4.60 118.68 106.72 2edy s LEU 92 Ca 0.71 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 2edy s LEU 92 Cb -0.09 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2edy s LEU 92 CO 0.56 0.01 0.81 -1.54 0.23 0.00 0.00 176.35 176.42 2edy n SER 93 N 4.54 -0.34 -4.64 2.29 3.41 0.14 -4.88 113.62 114.14 2edy n SER 93 Ca -0.21 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 2edy n SER 93 Cb 0.50 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.08 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 -3.48 3.94 0.58 4.33 0.04 -1.26 -4.38 135.00 134.77 2edy s PRO 94 Ca 0.68 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.32 2edy s PRO 94 Cb -0.30 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 2edy s PRO 94 CO 0.56 -1.12 0.68 -1.13 0.04 0.00 0.00 177.00 176.04 2edy n SER 95 N 7.91 -0.39 -0.07 6.66 3.41 -1.26 -4.85 113.62 125.03 2edy n SER 95 Ca 0.18 0.76 -0.04 0.00 -0.26 0.00 0.00 58.87 59.51 2edy n SER 95 Cb 0.45 -1.25 -0.14 0.00 -0.26 0.00 0.00 64.21 63.01 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 -1.70 0.91 -3.16 -1.33 -5.35 -0.60 -4.91 119.36 103.22 2edy n ILE 96 Ca 0.12 -0.66 -0.14 0.00 -0.27 0.00 0.00 62.75 61.81 2edy n ILE 96 Cb 0.47 -0.40 0.07 0.00 -1.74 0.00 0.00 39.64 38.04 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 -2.52 -5.38 -2.12 6.28 6.02 -1.21 -4.92 117.38 113.54 2edy n GLN 97 Ca -0.22 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.02 2edy n GLN 97 Cb 0.93 -5.21 -0.03 0.00 1.02 0.00 0.00 30.24 26.96 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 6.75 -0.38 1.08 0.15 -0.80 -4.12 113.70 112.34 2edy s SER 98 Ca 0.02 2.18 -0.20 0.00 0.70 0.00 0.00 55.95 58.66 2edy s SER 98 Cb -0.01 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2edy s SER 98 CO 0.59 -0.82 0.59 -0.60 1.20 0.00 0.00 173.24 174.19 2edy s ARG 99 N 3.12 3.54 1.01 5.44 3.52 -1.26 -1.78 118.95 132.54 2edy s ARG 99 Ca 0.68 -0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.93 2edy s ARG 99 Cb -0.33 -3.85 -0.07 0.00 -1.56 0.00 0.00 34.95 29.14 2edy s ARG 99 CO 0.27 -0.78 -0.60 0.25 -0.81 0.00 0.00 175.30 173.63 2edy n THR 100 N 5.60 0.00 -2.32 4.11 -2.24 -1.15 -4.80 114.28 113.48 2edy n THR 100 Ca -0.03 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2edy n THR 100 Cb 0.48 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.63 4.50 -0.69 -0.78 0.00 -1.25 -3.24 119.30 115.21 2edy s MET 101 Ca 0.46 1.97 -0.26 0.00 0.00 0.00 0.00 55.69 57.86 2edy s MET 101 Cb -0.09 -3.16 -0.03 0.00 0.00 0.00 0.00 34.83 31.55 2edy s MET 101 CO 0.72 -0.00 1.88 -1.25 0.00 0.00 0.00 175.02 176.37 2edy s PRO 102 N -1.28 2.60 0.00 3.16 0.04 -1.26 -3.25 135.00 135.01 2edy s PRO 102 Ca 0.48 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2edy s PRO 102 Cb -0.35 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2edy s PRO 102 CO 0.44 -2.90 0.10 1.55 0.04 0.00 0.00 177.00 176.23