#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 2.55 -4.45 1.61 3.41 -1.26 -4.99 113.62 110.50 2edy n SER 2 Ca 0.00 1.01 -0.35 0.00 -0.26 0.00 0.00 58.87 59.27 2edy n SER 2 Cb 0.00 -1.54 -0.12 0.00 -0.26 0.00 0.00 64.21 62.28 2edy n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2edy s SER 3 N -0.80 4.92 0.00 4.04 0.15 -1.26 -4.99 113.70 115.76 2edy s SER 3 Ca 0.68 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2edy s SER 3 Cb -0.44 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2edy s SER 3 CO 0.52 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2edy n GLY 4 N 4.43 4.45 0.13 9.45 0.00 -1.26 -5.08 105.19 117.32 2edy n GLY 4 Ca -0.17 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 2edy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edy n SER 5 N 0.00 2.05 -4.75 1.61 7.64 -1.26 -4.99 113.62 113.91 2edy n SER 5 Ca 0.00 -0.06 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 2edy n SER 5 Cb 0.00 -0.45 0.11 0.00 -1.01 0.00 0.00 64.21 62.85 2edy n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2edy s SER 6 N -6.55 4.14 0.00 6.43 0.01 -1.26 -4.96 113.70 111.51 2edy s SER 6 Ca -0.34 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2edy s SER 6 Cb 0.09 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2edy s SER 6 CO 0.55 -2.25 0.00 0.61 0.41 0.00 0.00 173.24 172.56 2edy n GLY 7 N -1.22 2.76 3.77 3.44 0.00 -1.26 -4.42 105.19 108.26 2edy n GLY 7 Ca 0.08 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.70 3.31 -0.39 1.61 0.04 -1.26 -4.82 135.00 130.79 2edy s PRO 8 Ca 0.00 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2edy s PRO 8 Cb 0.00 -2.00 0.44 0.00 0.04 0.00 0.00 34.50 32.98 2edy s PRO 8 CO 0.00 -0.88 1.26 0.45 0.04 0.00 0.00 177.00 177.87 2edy n SER 9 N -1.40 5.18 -3.20 6.66 2.88 -1.26 -3.60 113.62 118.87 2edy n SER 9 Ca 0.11 -3.75 0.04 0.00 -1.33 0.00 0.00 58.87 53.95 2edy n SER 9 Cb 0.51 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 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 -3.34 -0.63 0.63 0.46 0.00 -1.26 -4.86 107.32 98.32 2edy s GLY 10 Ca 0.51 2.39 -0.14 0.00 0.00 0.00 0.00 44.72 47.47 2edy s GLY 10 CO -0.06 3.53 1.07 -0.11 0.00 0.00 0.00 173.10 177.53 2edy s PHE 11 N 2.86 2.93 1.11 1.90 -0.71 -1.26 -4.71 117.98 120.09 2edy s PHE 11 Ca 0.08 1.50 -0.16 0.00 -1.04 0.00 0.00 56.93 57.31 2edy s PHE 11 Cb -0.12 -3.01 0.24 0.00 -1.21 0.00 0.00 43.02 38.92 2edy s PHE 11 CO -0.16 -1.27 1.10 -1.25 -1.34 0.00 0.00 175.22 172.30 2edy s PRO 12 N -4.29 -0.48 0.44 1.99 0.04 -1.26 -4.60 135.00 126.84 2edy s PRO 12 Ca 0.63 0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.89 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 0.42 -3.27 0.10 1.04 0.04 0.00 0.00 177.00 175.33 2edy n GLN 13 N -4.50 0.64 -2.34 4.56 6.02 -0.95 -4.80 117.38 116.00 2edy n GLN 13 Ca 0.09 -3.54 -0.20 0.00 -0.01 0.00 0.00 57.00 53.34 2edy n GLN 13 Cb 0.58 1.60 -0.01 0.00 1.02 0.00 0.00 30.24 33.43 2edy n GLN 13 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2edy n ASN 14 N -1.45 -5.76 -4.62 1.08 5.03 -1.26 -0.09 115.26 108.19 2edy n ASN 14 Ca -0.11 0.01 -0.43 0.00 0.87 0.00 0.00 54.58 54.92 2edy n ASN 14 Cb 0.62 -4.79 -0.02 0.00 -1.02 0.00 0.00 39.78 34.57 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 -5.77 3.74 0.00 3.41 2.96 -1.26 -3.77 118.68 118.00 2edy s LEU 15 Ca 0.00 1.01 -0.14 0.00 -0.22 0.00 0.00 54.13 54.78 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 -1.24 0.65 0.00 -1.32 0.00 0.00 176.35 174.44 2edy n HIS 16 N 8.14 -1.09 -4.48 5.38 1.44 -1.22 -4.96 115.22 118.43 2edy n HIS 16 Ca 0.15 -0.81 -0.34 0.00 -2.01 0.00 0.00 57.72 54.71 2edy n HIS 16 Cb 0.47 0.40 -0.12 0.00 0.12 0.00 0.00 29.99 30.86 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 -2.25 3.76 -0.61 0.61 1.01 -1.26 -1.17 120.40 120.49 2edy s VAL 17 Ca 0.14 -0.41 0.24 0.00 0.00 0.00 0.00 61.98 61.95 2edy s VAL 17 Cb -0.02 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2edy s VAL 17 CO 0.04 0.51 1.17 1.07 0.00 0.00 0.00 175.10 177.88 2edy n THR 18 N 3.42 0.28 -2.66 3.92 5.66 -1.26 -4.77 114.28 118.86 2edy n THR 18 Ca -0.18 -0.27 -0.02 0.00 -3.05 0.00 0.00 64.05 60.53 2edy n THR 18 Cb 0.53 0.02 0.03 0.00 -1.55 0.00 0.00 70.33 69.36 2edy n THR 18 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2edy s GLY 19 N -3.69 -1.98 1.26 1.09 0.00 -1.26 -5.07 107.32 97.67 2edy s GLY 19 Ca 0.05 0.83 -0.19 0.00 0.00 0.00 0.00 44.72 45.40 2edy s GLY 19 CO 0.76 4.41 1.03 0.48 0.00 0.00 0.00 173.10 179.79 2edy s LEU 20 N 1.11 0.14 0.01 0.66 2.34 -1.26 -3.12 118.68 118.56 2edy s LEU 20 Ca 0.22 0.88 -0.13 0.00 0.06 0.00 0.00 54.13 55.15 2edy s LEU 20 Cb 0.14 -2.56 0.02 0.00 -0.56 0.00 0.00 46.19 43.22 2edy s LEU 20 CO -0.12 -4.50 0.27 -0.89 -1.06 0.00 0.00 176.35 170.05 2edy s THR 21 N -2.67 0.07 0.27 5.48 2.01 0.63 -4.75 115.64 116.68 2edy s THR 21 Ca 0.69 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 2edy s THR 21 Cb -0.14 -0.71 0.40 0.00 0.01 0.00 0.00 72.50 72.06 2edy s THR 21 CO 0.58 -0.34 1.58 0.71 -0.69 0.00 0.00 174.62 176.46 2edy h THR 22 N 3.70 0.09 0.00 -0.82 1.35 -1.90 -3.07 112.91 112.26 2edy h THR 22 Ca -0.31 -0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.19 2edy h THR 22 Cb 1.19 0.08 -0.06 0.00 -1.73 0.00 0.00 68.15 67.63 2edy h THR 22 CO 0.43 0.00 -2.30 -1.20 -0.25 0.00 0.00 175.52 172.20 2edy n SER 23 N -5.55 2.01 -4.97 5.36 7.64 -1.26 -2.25 113.62 114.59 2edy n SER 23 Ca 0.15 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.89 2edy n SER 23 Cb 0.51 -0.50 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2edy n SER 23 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2edy s THR 24 N -2.44 4.31 -0.11 0.44 -4.23 -1.16 -1.30 115.64 111.15 2edy s THR 24 Ca -0.31 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2edy s THR 24 Cb 0.10 -3.54 0.06 0.00 1.34 0.00 0.00 72.50 70.46 2edy s THR 24 CO 0.47 -0.27 0.19 -0.89 -0.54 0.00 0.00 174.62 173.58 2edy s THR 25 N -2.28 -0.30 0.69 3.99 2.01 -1.03 0.23 115.64 118.95 2edy s THR 25 Ca 0.44 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.59 2edy s THR 25 Cb -0.10 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2edy s THR 25 CO 0.33 0.08 1.06 -1.61 -0.69 0.00 0.00 174.62 173.80 2edy s GLU 26 N 2.32 3.02 0.07 4.92 2.02 -1.18 0.11 118.70 129.98 2edy s GLU 26 Ca 0.03 0.74 -0.06 0.00 0.02 0.00 0.00 54.97 55.70 2edy s GLU 26 Cb -0.13 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 2edy s GLU 26 CO -0.07 -0.99 0.12 -0.51 0.02 0.00 0.00 175.26 173.83 2edy s LEU 27 N -5.42 1.77 -0.30 1.80 1.43 0.36 -4.14 118.68 114.19 2edy s LEU 27 Ca 0.57 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2edy s LEU 27 Cb -0.12 0.74 0.19 0.00 0.03 0.00 0.00 46.19 47.02 2edy s LEU 27 CO 0.54 -0.66 0.75 0.00 0.23 0.00 0.00 176.35 177.21 2edy s ALA 28 N -3.67 -2.74 0.44 4.21 0.00 -0.32 -3.42 121.76 116.27 2edy s ALA 28 Ca 0.04 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2edy s ALA 28 Cb 0.05 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 2edy s ALA 28 CO -0.10 -1.52 0.12 1.67 0.00 0.00 0.00 175.76 175.93 2edy s TRP 29 N 2.89 1.78 0.24 0.00 -2.14 -0.43 -3.43 118.94 117.85 2edy s TRP 29 Ca 0.14 -1.29 0.07 0.00 2.66 0.00 0.00 56.10 57.68 2edy s TRP 29 Cb -0.12 -1.22 -0.05 0.00 -3.10 0.00 0.00 33.47 28.98 2edy s TRP 29 CO -0.20 -0.26 -0.10 -0.51 -2.66 0.00 0.00 176.95 173.22 2edy s ASP 30 N -3.68 2.69 0.90 -2.66 1.11 0.87 -4.66 116.67 111.24 2edy s ASP 30 Ca 0.18 -1.10 -0.12 0.00 0.18 0.00 0.00 52.55 51.69 2edy s ASP 30 Cb 0.01 -0.15 0.13 0.00 1.07 0.00 0.00 42.92 43.98 2edy s ASP 30 CO 0.12 -0.25 1.09 -2.16 1.18 0.00 0.00 175.17 175.16 2edy s PRO 31 N -3.68 1.19 0.05 8.23 0.04 -1.26 -2.25 135.00 137.32 2edy s PRO 31 Ca 0.26 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 2edy s PRO 31 Cb 0.01 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2edy s PRO 31 CO 0.10 -2.28 1.41 -1.25 0.04 0.00 0.00 177.00 175.01 2edy s PRO 32 N -4.94 4.30 0.10 0.56 0.04 -1.26 -4.24 135.00 129.56 2edy s PRO 32 Ca 0.64 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 2edy s PRO 32 Cb -0.18 -3.44 -0.13 0.00 0.04 0.00 0.00 34.50 30.79 2edy s PRO 32 CO 0.57 -0.52 0.51 1.33 0.04 0.00 0.00 177.00 178.93 2edy n VAL 33 N 4.36 1.01 -0.54 -0.36 0.24 -1.26 -4.63 118.33 117.16 2edy n VAL 33 Ca 0.13 -0.25 0.44 0.00 -2.04 0.00 0.00 64.34 62.62 2edy n VAL 33 Cb 0.43 0.00 0.68 0.00 -1.47 0.00 0.00 33.84 33.48 2edy n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2edy n LEU 34 N 1.36 0.00 0.00 1.34 -0.00 -1.26 -1.34 117.00 117.11 2edy n LEU 34 Ca 0.14 0.91 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 2edy n LEU 34 Cb 0.15 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 2edy n LEU 34 CO 0.43 -0.91 0.35 0.00 -0.00 0.00 0.00 177.39 177.26 2edy n ALA 35 N -2.68 -0.28 -1.93 1.47 0.00 -1.26 -4.36 120.51 111.46 2edy n ALA 35 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 2edy n ALA 35 Cb 1.85 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 21.26 2edy n ALA 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2edy s GLU 36 N -2.08 2.42 -0.30 0.00 0.41 -0.45 -4.84 118.70 113.87 2edy s GLU 36 Ca 0.00 0.42 -0.02 0.00 -0.41 0.00 0.00 54.97 54.95 2edy s GLU 36 Cb 0.00 -4.67 0.19 0.00 -1.78 0.00 0.00 34.13 27.86 2edy s GLU 36 CO 0.00 -3.20 0.68 1.03 -0.49 0.00 0.00 175.26 173.28 2edy s ARG 37 N 7.40 0.50 -0.35 1.61 0.52 -1.26 -4.50 118.95 122.87 2edy s ARG 37 Ca 0.75 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 2edy s ARG 37 Cb -0.11 0.47 0.33 0.00 0.52 0.00 0.00 34.95 36.15 2edy s ARG 37 CO 0.13 -0.59 1.83 0.09 0.02 0.00 0.00 175.30 176.78 2edy n ASN 38 N 5.43 5.38 0.00 0.23 3.02 -1.26 -4.90 115.26 123.15 2edy n ASN 38 Ca -0.01 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2edy n ASN 38 Cb 0.52 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.19 0.29 3.40 7.41 0.00 -1.26 -4.83 105.19 110.01 2edy n GLY 39 Ca 0.37 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 1.38 0.01 1.61 0.52 -1.26 -5.14 118.95 116.08 2edy s ARG 40 Ca 0.00 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.80 2edy s ARG 40 Cb 0.00 0.37 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 2edy s ARG 40 CO 0.00 -0.52 -0.06 0.42 0.02 0.00 0.00 175.30 175.16 2edy s ILE 41 N -4.08 3.71 0.00 1.52 -1.09 -1.26 -4.21 121.20 115.79 2edy s ILE 41 Ca 0.31 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 2edy s ILE 41 Cb 0.03 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 2edy s ILE 41 CO 0.11 0.37 0.00 2.30 -1.23 0.00 0.00 174.94 176.49 2edy n ILE 42 N 1.47 0.00 -3.82 2.92 -5.35 -0.65 -4.96 119.36 108.97 2edy n ILE 42 Ca -0.15 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.31 2edy n ILE 42 Cb 0.52 -0.55 0.01 0.00 -1.74 0.00 0.00 39.64 37.88 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 -3.09 -0.06 0.11 7.28 0.01 -1.25 -4.76 113.70 111.94 2edy s SER 43 Ca 0.00 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2edy s SER 43 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 2edy s SER 43 CO 0.00 -0.83 -0.09 -0.31 0.41 0.00 0.00 173.24 172.43 2edy s TYR 44 N -2.52 1.04 -0.22 2.43 1.51 -1.10 -0.82 117.35 117.67 2edy s TYR 44 Ca 0.19 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2edy s TYR 44 Cb -0.01 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2edy s TYR 44 CO 0.03 -0.03 -0.11 0.99 -1.11 0.00 0.00 175.55 175.32 2edy s THR 45 N -2.97 2.68 -0.55 -0.71 2.01 -0.87 -2.92 115.64 112.31 2edy s THR 45 Ca 0.09 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 2edy s THR 45 Cb 0.01 -2.26 0.08 0.00 0.01 0.00 0.00 72.50 70.34 2edy s THR 45 CO -0.01 0.37 0.68 -0.69 -0.69 0.00 0.00 174.62 174.28 2edy s VAL 46 N 1.34 4.82 -0.41 3.82 1.01 -0.14 -2.94 120.40 127.90 2edy s VAL 46 Ca 0.03 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 2edy s VAL 46 Cb -0.15 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.84 2edy s VAL 46 CO -0.07 -0.99 0.49 -0.69 0.00 0.00 0.00 175.10 173.84 2edy s VAL 47 N 2.73 5.02 -0.12 2.92 1.01 -1.00 0.09 120.40 131.04 2edy s VAL 47 Ca 0.14 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2edy s VAL 47 Cb -0.21 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.12 2edy s VAL 47 CO 0.09 -0.41 -0.21 0.72 0.00 0.00 0.00 175.10 175.29 2edy s PHE 48 N 2.33 2.47 0.03 5.22 -0.71 0.19 -0.53 117.98 126.97 2edy s PHE 48 Ca 0.15 -1.14 -0.05 0.00 -1.04 0.00 0.00 56.93 54.86 2edy s PHE 48 Cb -0.16 -1.68 -0.01 0.00 -1.21 0.00 0.00 43.02 39.95 2edy s PHE 48 CO 0.15 -0.51 0.07 0.50 -1.34 0.00 0.00 175.22 174.10 2edy s ARG 49 N 0.66 0.54 -0.47 1.99 3.52 -0.48 -2.38 118.95 122.33 2edy s ARG 49 Ca -0.12 -0.73 -0.25 0.00 -0.13 0.00 0.00 55.73 54.50 2edy s ARG 49 Cb -0.16 0.21 0.03 0.00 -1.56 0.00 0.00 34.95 33.47 2edy s ARG 49 CO 0.02 -0.13 0.91 0.16 -0.81 0.00 0.00 175.30 175.45 2edy s ASP 50 N -2.01 6.47 0.65 -2.12 1.47 -1.21 0.12 116.67 120.03 2edy s ASP 50 Ca -0.07 0.03 0.40 0.00 1.18 0.00 0.00 52.55 54.09 2edy s ASP 50 Cb -0.02 -2.44 2.19 0.00 -0.34 0.00 0.00 42.92 42.31 2edy s ASP 50 CO -0.04 -1.05 2.28 0.16 0.68 0.00 0.00 175.17 177.19 2edy h ILE 51 N 6.06 0.11 -0.01 2.11 3.07 -1.93 0.33 117.51 127.25 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 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2edy h ILE 51 CO 1.03 0.00 -0.27 0.59 -1.05 0.00 0.00 178.15 178.44 2edy n ASN 52 N -3.21 1.39 -3.60 2.16 3.02 -1.26 -4.94 115.26 108.80 2edy n ASN 52 Ca -0.03 -1.14 -0.22 0.00 -0.03 0.00 0.00 54.58 53.16 2edy n ASN 52 Cb 0.13 0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.42 2.05 -0.44 6.41 0.01 0.11 -5.06 113.70 114.36 2edy s SER 53 Ca 0.25 -1.74 0.04 0.00 1.31 0.00 0.00 55.95 55.80 2edy s SER 53 Cb 0.19 0.56 0.47 0.00 0.21 0.00 0.00 66.02 67.45 2edy s SER 53 CO 0.50 -1.03 1.56 1.67 0.41 0.00 0.00 173.24 176.36 2edy n GLN 54 N -0.72 3.00 -3.44 12.44 7.27 -1.26 -4.57 117.38 130.09 2edy n GLN 54 Ca 0.03 -3.68 -0.43 0.00 0.07 0.00 0.00 57.00 52.98 2edy n GLN 54 Cb 0.63 -2.22 -0.07 0.00 2.41 0.00 0.00 30.24 30.99 2edy n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2edy s GLN 55 N -3.63 2.72 -0.04 3.69 2.00 -1.26 -5.05 119.66 118.08 2edy s GLN 55 Ca 0.55 -1.76 -0.16 0.00 -2.00 0.00 0.00 55.36 51.99 2edy s GLN 55 Cb 0.45 -4.10 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 2edy s GLN 55 CO 0.02 -1.26 0.44 -2.00 -0.50 0.00 0.00 175.29 171.99 2edy s GLU 56 N 1.44 4.11 0.01 1.67 2.12 -1.26 -3.35 118.70 123.44 2edy s GLU 56 Ca 0.05 0.44 -0.13 0.00 0.36 0.00 0.00 54.97 55.69 2edy s GLU 56 Cb -0.28 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.82 2edy s GLU 56 CO 0.01 0.47 0.27 -0.51 -0.54 0.00 0.00 175.26 174.96 2edy s LEU 57 N -0.40 1.03 0.06 2.70 1.43 -1.00 -5.02 118.68 117.47 2edy s LEU 57 Ca 0.25 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2edy s LEU 57 Cb -0.16 1.17 -0.03 0.00 0.03 0.00 0.00 46.19 47.20 2edy s LEU 57 CO 0.12 -0.50 0.03 -1.10 0.23 0.00 0.00 176.35 175.13 2edy s GLN 58 N -1.88 0.66 0.22 1.70 -0.21 -1.26 -0.64 119.66 118.25 2edy s GLN 58 Ca -0.10 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2edy s GLN 58 Cb -0.04 0.24 -0.05 0.00 1.00 0.00 0.00 33.01 34.17 2edy s GLN 58 CO 0.01 -0.15 0.11 -0.80 -2.12 0.00 0.00 175.29 172.33 2edy s ASN 59 N -2.84 0.69 -0.03 5.90 0.02 0.11 -4.94 114.94 113.85 2edy s ASN 59 Ca 0.06 -1.37 -0.01 0.00 -1.02 0.00 0.00 52.86 50.51 2edy s ASN 59 Cb 0.07 0.26 0.02 0.00 0.02 0.00 0.00 41.25 41.62 2edy s ASN 59 CO -0.10 -0.77 0.06 -0.63 0.02 0.00 0.00 177.10 175.68 2edy s ILE 60 N -3.94 -0.03 -0.11 0.60 1.01 -1.26 -0.97 121.20 116.49 2edy s ILE 60 Ca 0.37 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.99 2edy s ILE 60 Cb 0.07 -0.11 0.04 0.00 0.01 0.00 0.00 42.46 42.47 2edy s ILE 60 CO 0.12 0.05 0.40 0.28 0.00 0.00 0.00 174.94 175.79 2edy s THR 61 N 0.67 0.01 -1.54 2.92 -1.32 -1.15 -5.02 115.64 110.22 2edy s THR 61 Ca -0.05 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.32 2edy s THR 61 Cb -0.08 -0.61 0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2edy s THR 61 CO -0.02 -0.06 0.83 0.35 -2.21 0.00 0.00 174.62 173.50 2edy n THR 62 N 2.36 0.11 -4.47 5.08 -2.24 -1.26 -2.70 114.28 111.16 2edy n THR 62 Ca -0.16 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 2edy n THR 62 Cb 0.57 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.58 3.45 -0.02 3.42 1.11 -1.26 -4.91 116.67 117.89 2edy s ASP 63 Ca 0.03 -1.07 0.01 0.00 0.18 0.00 0.00 52.55 51.70 2edy s ASP 63 Cb 0.02 -0.28 0.06 0.00 1.07 0.00 0.00 42.92 43.79 2edy s ASP 63 CO 0.02 -0.06 0.65 0.35 1.18 0.00 0.00 175.17 177.31 2edy n THR 64 N -0.62 0.20 -4.16 -1.27 -2.24 -1.26 -4.70 114.28 100.22 2edy n THR 64 Ca -0.05 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2edy n THR 64 Cb 0.61 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.24 1.21 0.01 -0.78 1.04 -1.26 -1.31 118.95 116.62 2edy s ARG 65 Ca 0.04 -1.54 -0.29 0.00 -1.04 0.00 0.00 55.73 52.90 2edy s ARG 65 Cb 0.03 0.30 0.10 0.00 -2.04 0.00 0.00 34.95 33.34 2edy s ARG 65 CO 0.01 -0.41 1.09 0.12 -0.04 0.00 0.00 175.30 176.07 2edy s PHE 66 N -4.12 -0.15 -0.18 5.89 5.36 -1.22 -4.89 117.98 118.67 2edy s PHE 66 Ca 0.34 -0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.25 2edy s PHE 66 Cb 0.06 0.57 0.06 0.00 -0.34 0.00 0.00 43.02 43.37 2edy s PHE 66 CO 0.10 -0.49 0.08 0.99 -1.46 0.00 0.00 175.22 174.44 2edy s THR 67 N -2.84 0.05 1.19 0.12 2.01 -1.26 0.13 115.64 115.04 2edy s THR 67 Ca 0.11 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 2edy s THR 67 Cb 0.01 -0.68 0.29 0.00 0.01 0.00 0.00 72.50 72.12 2edy s THR 67 CO -0.03 -0.27 1.02 -0.76 -0.69 0.00 0.00 174.62 173.89 2edy s LEU 68 N 2.08 0.60 0.20 4.42 2.01 0.30 -4.77 118.68 123.52 2edy s LEU 68 Ca 0.01 1.32 -0.23 0.00 0.01 0.00 0.00 54.13 55.25 2edy s LEU 68 Cb -0.16 -3.18 0.05 0.00 0.01 0.00 0.00 46.19 42.91 2edy s LEU 68 CO -0.09 -4.25 0.68 0.42 1.01 0.00 0.00 176.35 174.12 2edy s THR 69 N -2.53 0.00 -1.17 5.49 -4.23 -1.26 -2.46 115.64 109.48 2edy s THR 69 Ca 0.68 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 2edy s THR 69 Cb -0.22 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2edy s THR 69 CO 0.63 0.00 0.56 0.61 -0.54 0.00 0.00 174.62 175.88 2edy n GLY 70 N -0.41 -0.23 3.78 3.99 0.00 -1.25 -4.94 105.19 106.14 2edy n GLY 70 Ca -0.11 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.37 3.66 0.07 0.99 1.43 -0.42 -5.06 118.68 113.98 2edy s LEU 71 Ca 0.28 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 2edy s LEU 71 Cb -0.12 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 2edy s LEU 71 CO 0.35 -0.04 0.57 -0.75 0.23 0.00 0.00 176.35 176.71 2edy s LYS 72 N -3.81 4.21 0.37 1.70 2.20 -1.26 -4.23 119.74 118.92 2edy s LYS 72 Ca 0.33 0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 56.41 2edy s LYS 72 Cb -0.07 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 2edy s LYS 72 CO 0.24 0.63 1.20 -1.25 -0.36 0.00 0.00 175.35 175.80 2edy s PRO 73 N -1.06 4.17 -1.21 4.03 0.04 -0.95 -3.51 135.00 136.51 2edy s PRO 73 Ca 0.29 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2edy s PRO 73 Cb -0.19 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2edy s PRO 73 CO 0.19 -0.25 1.03 -3.47 0.04 0.00 0.00 177.00 174.54 2edy n ASP 74 N 0.36 -3.64 -3.72 6.66 2.03 -1.04 -4.88 116.55 112.32 2edy n ASP 74 Ca 0.03 -0.56 -0.15 0.00 0.52 0.00 0.00 54.79 54.62 2edy n ASP 74 Cb 0.45 -4.90 -0.15 0.00 -0.72 0.00 0.00 41.12 35.80 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 -3.33 -0.12 0.19 5.18 2.01 -1.23 -4.95 115.64 113.39 2edy s THR 75 Ca 0.22 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.15 2edy s THR 75 Cb -0.10 -0.24 -0.11 0.00 0.01 0.00 0.00 72.50 72.06 2edy s THR 75 CO 0.70 0.10 1.60 -0.89 -0.69 0.00 0.00 174.62 175.44 2edy s THR 76 N 1.56 2.44 -0.26 -0.82 2.01 -1.26 -2.81 115.64 116.49 2edy s THR 76 Ca -0.05 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2edy s THR 76 Cb -0.12 -3.21 0.07 0.00 0.01 0.00 0.00 72.50 69.26 2edy s THR 76 CO -0.06 0.03 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.59 2edy s TYR 77 N 0.97 2.34 -0.63 4.92 2.02 -1.15 -3.36 117.35 122.47 2edy s TYR 77 Ca 0.70 -1.84 -0.26 0.00 -0.37 0.00 0.00 57.07 55.29 2edy s TYR 77 Cb -0.45 -1.74 -0.07 0.00 -0.40 0.00 0.00 41.96 39.31 2edy s TYR 77 CO 0.34 -0.80 2.20 0.34 -1.57 0.00 0.00 175.55 176.06 2edy s ASP 78 N 1.41 4.65 -0.15 2.29 -1.08 0.33 -2.18 116.67 121.93 2edy s ASP 78 Ca -0.00 0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 52.47 2edy s ASP 78 Cb -0.18 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2edy s ASP 78 CO -0.10 -2.91 -0.02 -0.63 0.52 0.00 0.00 175.17 172.03 2edy s ILE 79 N 11.56 4.05 0.22 4.11 1.01 -1.26 -1.38 121.20 139.51 2edy s ILE 79 Ca 0.85 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.22 2edy s ILE 79 Cb -0.14 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2edy s ILE 79 CO 0.18 0.50 0.11 2.29 0.00 0.00 0.00 174.94 178.02 2edy n LYS 80 N 3.39 0.57 -3.69 2.79 2.85 0.31 -1.81 118.16 122.57 2edy n LYS 80 Ca -0.17 -1.92 -0.10 0.00 -1.05 0.00 0.00 58.31 55.06 2edy n LYS 80 Cb 0.52 1.22 -0.04 0.00 -0.65 0.00 0.00 35.03 36.08 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 -2.52 0.05 -0.24 0.58 0.11 -1.26 -2.38 120.40 114.74 2edy s VAL 81 Ca 0.15 -0.70 -0.20 0.00 -2.93 0.00 0.00 61.98 58.31 2edy s VAL 81 Cb 0.01 -1.36 0.06 0.00 -1.53 0.00 0.00 36.38 33.56 2edy s VAL 81 CO 0.11 -0.24 0.62 0.00 -3.33 0.00 0.00 175.10 172.25 2edy s ARG 82 N -3.84 0.70 0.20 1.54 1.70 -1.15 0.20 118.95 118.30 2edy s ARG 82 Ca 0.06 0.93 -0.27 0.00 -0.47 0.00 0.00 55.73 55.98 2edy s ARG 82 Cb 0.01 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.59 2edy s ARG 82 CO -0.08 -0.10 0.84 0.00 -1.08 0.00 0.00 175.30 174.88 2edy s ALA 83 N 0.66 3.40 0.01 7.88 0.00 -1.26 -2.05 121.76 130.39 2edy s ALA 83 Ca -0.03 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.45 2edy s ALA 83 Cb -0.05 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2edy s ALA 83 CO -0.04 0.26 -0.16 -1.58 0.00 0.00 0.00 175.76 174.23 2edy s TRP 84 N -1.19 2.61 0.35 0.00 0.52 -0.00 -3.22 118.94 118.01 2edy s TRP 84 Ca 0.38 -0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.37 2edy s TRP 84 Cb -0.24 -1.52 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2edy s TRP 84 CO 0.28 0.23 0.10 0.95 0.02 0.00 0.00 176.95 178.53 2edy s THR 85 N -0.87 2.72 0.16 2.01 -4.23 0.68 -1.63 115.64 114.48 2edy s THR 85 Ca 0.14 -1.81 0.23 0.00 -1.18 0.00 0.00 61.69 59.07 2edy s THR 85 Cb -0.11 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 71.05 2edy s THR 85 CO 0.04 -0.15 1.65 0.28 -0.54 0.00 0.00 174.62 175.90 2edy h SER 86 N 1.63 0.00 0.00 3.99 0.02 -1.94 -2.53 113.55 114.72 2edy h SER 86 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2edy h SER 86 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2edy h SER 86 CO 0.66 0.00 -0.58 0.29 -1.14 0.00 0.00 176.83 176.06 2edy n LYS 87 N -2.40 0.46 0.00 3.45 4.76 -1.26 -5.10 118.16 118.07 2edy n LYS 87 Ca -0.02 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2edy n LYS 87 Cb 0.22 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2edy n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2edy n GLY 88 N 1.60 3.04 3.67 0.72 0.00 -0.95 -4.87 105.19 108.39 2edy n GLY 88 Ca -0.10 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 4.40 0.00 1.61 1.04 -1.26 -0.23 113.70 121.25 2edy s SER 89 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2edy s SER 89 Cb 0.00 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.49 2edy s SER 89 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2edy n GLY 90 N -1.02 4.78 3.59 7.32 0.00 -1.20 -4.05 105.19 114.62 2edy n GLY 90 Ca -0.04 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 3.37 -1.31 -0.15 1.61 0.04 -1.24 -4.96 135.00 132.37 2edy s PRO 91 Ca 0.00 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 60.96 2edy s PRO 91 Cb 0.00 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2edy s PRO 91 CO 0.00 -3.76 -0.18 -0.51 0.04 0.00 0.00 177.00 172.58 2edy s LEU 92 N -6.96 2.31 0.77 -3.56 1.43 -1.26 -4.54 118.68 106.86 2edy s LEU 92 Ca 0.71 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 2edy s LEU 92 Cb -0.09 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.68 2edy s LEU 92 CO 0.56 0.09 1.21 -0.94 0.23 0.00 0.00 176.35 177.50 2edy s SER 93 N 0.79 3.85 -0.20 2.29 1.04 0.13 -4.91 113.70 116.70 2edy s SER 93 Ca -0.07 2.37 -0.29 0.00 0.48 0.00 0.00 55.95 58.44 2edy s SER 93 Cb -0.16 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 2edy s SER 93 CO -0.00 -2.49 1.59 -2.16 0.98 0.00 0.00 173.24 171.15 2edy s PRO 94 N -4.03 3.88 0.58 4.02 0.04 -1.26 -4.38 135.00 133.84 2edy s PRO 94 Ca 0.74 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.33 2edy s PRO 94 Cb -0.29 -4.01 -0.07 0.00 0.04 0.00 0.00 34.50 30.16 2edy s PRO 94 CO 0.48 -1.19 0.65 -1.13 0.04 0.00 0.00 177.00 175.85 2edy n SER 95 N 8.14 -0.52 -0.05 6.66 3.41 -1.26 -4.86 113.62 125.15 2edy n SER 95 Ca 0.18 0.76 -0.00 0.00 -0.26 0.00 0.00 58.87 59.54 2edy n SER 95 Cb 0.45 -1.24 -0.13 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 -1.71 0.59 -3.28 -1.33 -5.35 -0.75 -4.92 119.36 102.61 2edy n ILE 96 Ca 0.12 -0.55 -0.15 0.00 -0.27 0.00 0.00 62.75 61.90 2edy n ILE 96 Cb 0.47 -0.26 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 -2.36 -5.94 -2.19 6.28 6.02 -1.23 -4.90 117.38 113.05 2edy n GLN 97 Ca -0.15 0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 57.17 2edy n GLN 97 Cb 0.76 -5.51 -0.02 0.00 1.02 0.00 0.00 30.24 26.48 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 -4.20 6.10 -0.41 1.08 0.15 -0.93 -4.17 113.70 111.31 2edy s SER 98 Ca 0.01 1.00 -0.28 0.00 0.70 0.00 0.00 55.95 57.38 2edy s SER 98 Cb -0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2edy s SER 98 CO 0.65 -1.60 1.06 -0.60 1.20 0.00 0.00 173.24 173.95 2edy s ARG 99 N 5.35 3.83 0.62 5.44 3.52 -1.26 -2.92 118.95 133.53 2edy s ARG 99 Ca 0.69 0.67 -0.18 0.00 -0.13 0.00 0.00 55.73 56.79 2edy s ARG 99 Cb -0.17 -3.84 -0.14 0.00 -1.56 0.00 0.00 34.95 29.24 2edy s ARG 99 CO 0.32 -1.15 -0.16 0.25 -0.81 0.00 0.00 175.30 173.76 2edy n THR 100 N 6.36 0.30 -2.04 4.11 -2.24 -1.12 -4.74 114.28 114.91 2edy n THR 100 Ca 0.10 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 2edy n THR 100 Cb 0.48 -0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.42 4.11 -0.70 -0.78 0.00 -1.25 -2.51 119.30 116.75 2edy s MET 101 Ca 0.55 2.23 -0.26 0.00 0.00 0.00 0.00 55.69 58.21 2edy s MET 101 Cb -0.42 -2.89 -0.03 0.00 0.00 0.00 0.00 34.83 31.49 2edy s MET 101 CO 0.68 -0.40 1.89 -1.25 0.00 0.00 0.00 175.02 175.94 2edy s PRO 102 N -2.07 2.60 0.00 3.16 0.04 -1.26 -3.49 135.00 133.98 2edy s PRO 102 Ca 0.54 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2edy s PRO 102 Cb -0.40 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2edy s PRO 102 CO 0.52 -2.94 0.14 1.55 0.04 0.00 0.00 177.00 176.31