#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b n SER 2 N 0.00 -5.16 -4.57 1.61 2.88 -1.26 -4.79 113.62 102.33 1x6b n SER 2 Ca 0.00 1.64 -0.41 0.00 -1.33 0.00 0.00 58.87 58.77 1x6b n SER 2 Cb 0.00 -5.27 -0.03 0.00 -0.75 0.00 0.00 64.21 58.16 1x6b n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6b s SER 3 N -0.63 5.92 0.07 -3.46 1.04 -1.26 -4.94 113.70 110.43 1x6b s SER 3 Ca -0.14 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x6b s SER 3 Cb 0.01 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 1x6b s SER 3 CO 0.38 -1.85 0.02 0.61 0.98 0.00 0.00 173.24 173.38 1x6b n GLY 4 N 5.37 4.00 2.30 7.32 0.00 -1.26 -5.05 105.19 117.87 1x6b n GLY 4 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1x6b n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6b n SER 5 N -1.79 -9.14 -4.72 1.61 3.41 -1.26 -4.93 113.62 96.82 1x6b n SER 5 Ca -0.01 1.75 -0.31 0.00 -0.26 0.00 0.00 58.87 60.04 1x6b n SER 5 Cb 0.09 -5.09 0.13 0.00 -0.26 0.00 0.00 64.21 59.09 1x6b n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x6b s SER 6 N -0.56 3.61 0.00 4.04 1.04 -1.26 -5.04 113.70 115.52 1x6b s SER 6 Ca 0.00 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1x6b s SER 6 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x6b s SER 6 CO 0.00 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.19 1x6b n GLY 7 N -0.41 1.05 0.04 7.32 0.00 -1.26 -5.10 105.19 106.83 1x6b n GLY 7 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1x6b n GLY 7 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1x6b n TRP 8 N 0.00 0.00 0.09 1.61 7.02 -1.26 -5.08 117.44 119.82 1x6b n TRP 8 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1x6b n TRP 8 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1x6b n TRP 8 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1x6b n GLN 9 N -2.49 0.00 -2.70 -0.99 0.00 -1.26 -5.07 117.38 104.87 1x6b n GLN 9 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.00 56.96 1x6b n GLN 9 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.27 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x6b n GLY 10 N -1.20 -1.32 2.63 1.69 0.00 -1.26 -5.11 105.19 100.62 1x6b n GLY 10 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 1x6b n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6b s LEU 11 N 0.83 1.56 0.16 0.99 1.43 -1.26 -4.95 118.68 117.45 1x6b s LEU 11 Ca 0.26 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 1x6b s LEU 11 Cb 0.10 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1x6b s LEU 11 CO -0.09 -0.39 0.00 -1.20 0.23 0.00 0.00 176.35 174.90 1x6b n SER 12 N 4.67 0.60 -1.40 2.29 7.64 -1.26 -5.07 113.62 121.08 1x6b n SER 12 Ca 0.01 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x6b n SER 12 Cb 0.40 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1x6b n SER 12 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6b n SER 13 N -3.45 -7.62 -3.09 6.43 7.64 -1.26 -5.10 113.62 107.17 1x6b n SER 13 Ca 0.00 1.01 -0.11 0.00 1.01 0.00 0.00 58.87 60.78 1x6b n SER 13 Cb 0.02 -3.56 -0.00 0.00 -1.01 0.00 0.00 64.21 59.66 1x6b n SER 13 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1x6b s LYS 14 N -2.63 2.09 0.00 1.43 0.00 -1.26 -5.15 119.74 114.22 1x6b s LYS 14 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 55.97 54.42 1x6b s LYS 14 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.38 1x6b s LYS 14 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 175.35 174.83 1x6b n GLY 15 N -0.54 0.86 2.70 0.59 0.00 -1.26 -5.04 105.19 102.50 1x6b n GLY 15 Ca -0.04 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1x6b n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6b n ASP 16 N 0.00 5.12 -4.92 1.61 8.00 -1.26 -5.05 116.55 120.05 1x6b n ASP 16 Ca 0.00 -3.48 -0.26 0.00 0.71 0.00 0.00 54.79 51.76 1x6b n ASP 16 Cb 0.00 -0.92 0.01 0.00 -0.02 0.00 0.00 41.12 40.19 1x6b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x6b s LEU 17 N -2.85 3.58 0.51 0.64 1.43 -1.26 -5.06 118.68 115.66 1x6b s LEU 17 Ca 0.37 0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 1x6b s LEU 17 Cb 0.13 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1x6b s LEU 17 CO 0.01 -0.68 1.04 -2.16 0.23 0.00 0.00 176.35 174.79 1x6b s PRO 18 N -4.73 3.71 0.05 1.29 0.04 -1.26 -4.88 135.00 129.23 1x6b s PRO 18 Ca 0.48 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1x6b s PRO 18 Cb -0.10 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1x6b s PRO 18 CO 0.43 -0.50 -0.15 -0.65 0.04 0.00 0.00 177.00 176.17 1x6b s GLN 19 N -3.44 0.92 0.03 4.56 -0.21 -1.26 -0.31 119.66 119.95 1x6b s GLN 19 Ca 0.66 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 55.22 1x6b s GLN 19 Cb -0.16 -0.95 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 1x6b s GLN 19 CO 0.24 0.23 -0.12 0.14 -2.12 0.00 0.00 175.29 173.65 1x6b s VAL 20 N -1.02 0.94 -0.32 1.09 -7.23 -0.79 0.70 120.40 113.78 1x6b s VAL 20 Ca 0.01 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1x6b s VAL 20 Cb -0.09 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 1x6b s VAL 20 CO 0.02 0.01 0.20 -0.70 -0.31 0.00 0.00 175.10 174.32 1x6b s GLU 21 N -0.96 3.53 -0.52 4.82 2.12 0.10 -1.56 118.70 126.24 1x6b s GLU 21 Ca 0.01 -0.61 -0.26 0.00 0.36 0.00 0.00 54.97 54.46 1x6b s GLU 21 Cb -0.07 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1x6b s GLU 21 CO 0.01 -0.39 2.11 0.42 -0.54 0.00 0.00 175.26 176.87 1x6b s ILE 22 N 1.70 3.20 0.17 -3.70 -1.09 0.36 0.76 121.20 122.58 1x6b s ILE 22 Ca 0.06 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.46 1x6b s ILE 22 Cb -0.17 -3.48 0.05 0.00 -1.58 0.00 0.00 42.46 37.28 1x6b s ILE 22 CO 0.09 -0.45 1.76 0.71 -1.23 0.00 0.00 174.94 175.82 1x6b h THR 23 N 7.24 0.90 -3.96 2.92 1.35 -1.82 1.77 112.91 121.32 1x6b h THR 23 Ca -0.26 -0.12 -0.33 0.00 -0.55 0.00 0.00 66.41 65.15 1x6b h THR 23 Cb 1.21 0.53 -0.26 0.00 -1.73 0.00 0.00 68.15 67.91 1x6b h THR 23 CO 1.17 0.06 -0.76 -1.59 -0.25 0.00 0.00 175.52 174.15 1x6b s LYS 24 N -6.15 0.55 0.72 4.72 -2.85 -1.26 -3.83 119.74 111.64 1x6b s LYS 24 Ca -0.13 -0.44 -0.17 0.00 -1.00 0.00 0.00 55.97 54.23 1x6b s LYS 24 Cb 0.13 -0.48 -0.11 0.00 -2.06 0.00 0.00 37.83 35.31 1x6b s LYS 24 CO 0.72 0.12 -0.09 0.00 0.10 0.00 0.00 175.35 176.20 1x6b n ALA 25 N 2.38 -3.22 -3.51 0.59 0.00 -1.26 -4.70 120.51 110.80 1x6b n ALA 25 Ca -0.16 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 1x6b n ALA 25 Cb 0.57 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 1x6b n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x6b s PHE 26 N -1.98 1.59 -0.41 0.00 5.36 -0.58 -4.92 117.98 117.04 1x6b s PHE 26 Ca 0.55 -2.50 -0.31 0.00 -0.96 0.00 0.00 56.93 53.71 1x6b s PHE 26 Cb -0.36 -1.30 -0.10 0.00 -0.34 0.00 0.00 43.02 40.92 1x6b s PHE 26 CO 0.68 -0.77 2.30 1.19 -1.46 0.00 0.00 175.22 177.16 1x6b n PHE 27 N 2.75 1.55 -2.01 10.12 3.72 -1.26 -3.18 117.46 129.15 1x6b n PHE 27 Ca 0.26 0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 57.40 1x6b n PHE 27 Cb 0.44 -2.59 -0.03 0.00 -0.94 0.00 0.00 39.48 36.37 1x6b n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b s ALA 28 N 8.83 3.66 -0.11 4.37 0.00 -1.26 -4.90 121.76 132.37 1x6b s ALA 28 Ca 1.08 1.32 0.05 0.00 0.00 0.00 0.00 51.96 54.41 1x6b s ALA 28 Cb -0.62 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 18.83 1x6b s ALA 28 CO 0.41 -0.74 -0.03 0.36 0.00 0.00 0.00 175.76 175.76 1x6b n LYS 29 N 2.92 1.50 -2.00 0.00 -0.00 -1.26 -4.87 118.16 114.44 1x6b n LYS 29 Ca 0.09 0.03 -0.23 0.00 -0.00 0.00 0.00 58.31 58.20 1x6b n LYS 29 Cb 0.40 -1.24 0.14 0.00 -0.00 0.00 0.00 35.03 34.33 1x6b n LYS 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x6b n GLN 30 N -2.57 -0.55 0.00 -1.58 6.02 -1.26 -4.99 117.38 112.45 1x6b n GLN 30 Ca -0.18 -2.10 0.12 0.00 -0.01 0.00 0.00 57.00 54.83 1x6b n GLN 30 Cb 0.77 -0.87 0.21 0.00 1.02 0.00 0.00 30.24 31.37 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6b n ALA 31 N -3.31 2.99 0.10 -1.58 0.00 -1.26 -3.84 120.51 113.61 1x6b n ALA 31 Ca -0.16 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 52.80 1x6b n ALA 31 Cb 0.51 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x6b n ASP 32 N 0.22 1.10 -4.91 0.00 5.68 -1.26 -4.98 116.55 112.39 1x6b n ASP 32 Ca 0.13 -0.12 -0.27 0.00 -0.50 0.00 0.00 54.79 54.03 1x6b n ASP 32 Cb 0.45 1.66 0.04 0.00 -1.14 0.00 0.00 41.12 42.14 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x6b s GLU 33 N -3.08 2.73 -0.02 0.11 2.02 -1.25 0.63 118.70 119.84 1x6b s GLU 33 Ca -0.04 0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1x6b s GLU 33 Cb 0.11 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1x6b s GLU 33 CO 0.70 -0.91 0.02 0.54 0.02 0.00 0.00 175.26 175.63 1x6b s VAL 34 N -3.14 -0.05 0.14 2.63 0.11 -1.22 -4.57 120.40 114.30 1x6b s VAL 34 Ca 0.56 0.17 -0.31 0.00 -2.93 0.00 0.00 61.98 59.47 1x6b s VAL 34 Cb -0.11 -0.07 -0.09 0.00 -1.53 0.00 0.00 36.38 34.59 1x6b s VAL 34 CO 0.46 0.07 1.47 -0.89 -3.33 0.00 0.00 175.10 172.88 1x6b s THR 35 N 0.85 3.01 0.23 5.04 2.01 -1.25 -4.45 115.64 121.09 1x6b s THR 35 Ca -0.07 0.72 0.10 0.00 0.31 0.00 0.00 61.69 62.75 1x6b s THR 35 Cb -0.10 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1x6b s THR 35 CO -0.02 0.06 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.03 1x6b s LEU 36 N 1.13 2.56 0.30 4.42 1.43 -1.19 -4.92 118.68 122.41 1x6b s LEU 36 Ca 0.67 -1.00 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1x6b s LEU 36 Cb -0.40 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1x6b s LEU 36 CO 0.31 -0.06 0.14 -1.10 0.23 0.00 0.00 176.35 175.86 1x6b s GLN 37 N -3.47 2.53 0.11 1.70 -1.52 -1.26 -1.52 119.66 116.23 1x6b s GLN 37 Ca 0.25 -1.36 -0.31 0.00 -1.95 0.00 0.00 55.36 51.99 1x6b s GLN 37 Cb -0.03 -2.31 -0.09 0.00 -0.22 0.00 0.00 33.01 30.36 1x6b s GLN 37 CO 0.10 0.25 1.66 -1.14 -0.25 0.00 0.00 175.29 175.92 1x6b s GLN 38 N -3.82 4.19 -0.57 2.91 -0.44 -1.26 -2.51 119.66 118.16 1x6b s GLN 38 Ca 0.35 2.40 -0.00 0.00 -2.50 0.00 0.00 55.36 55.61 1x6b s GLN 38 Cb -0.05 -3.44 -0.00 0.00 -1.64 0.00 0.00 33.01 27.87 1x6b s GLN 38 CO 0.23 -0.72 0.47 0.00 0.50 0.00 0.00 175.29 175.78 1x6b n ALA 39 N 5.07 -0.96 -2.56 1.58 0.00 0.60 -4.96 120.51 119.28 1x6b n ALA 39 Ca 0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1x6b n ALA 39 Cb 0.39 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.29 1x6b n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6b s ASP 40 N -3.64 3.87 -0.05 0.00 1.11 -1.04 -4.85 116.67 112.06 1x6b s ASP 40 Ca 0.00 -0.26 -0.12 0.00 0.18 0.00 0.00 52.55 52.35 1x6b s ASP 40 Cb -0.00 -0.91 -0.05 0.00 1.07 0.00 0.00 42.92 43.03 1x6b s ASP 40 CO 0.35 0.31 0.31 -0.69 1.18 0.00 0.00 175.17 176.63 1x6b s VAL 41 N -0.53 5.21 -0.01 -1.27 1.01 -1.26 0.14 120.40 123.69 1x6b s VAL 41 Ca 0.07 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1x6b s VAL 41 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1x6b s VAL 41 CO 0.01 0.58 -0.02 -0.69 0.00 0.00 0.00 175.10 174.98 1x6b s VAL 42 N -0.96 0.20 -0.44 2.92 1.01 -0.60 -2.97 120.40 119.55 1x6b s VAL 42 Ca 0.20 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1x6b s VAL 42 Cb -0.15 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1x6b s VAL 42 CO 0.10 0.07 0.71 -0.22 0.00 0.00 0.00 175.10 175.75 1x6b s LEU 43 N 0.08 4.39 0.35 3.92 2.96 -0.52 -1.88 118.68 127.97 1x6b s LEU 43 Ca -0.00 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.39 1x6b s LEU 43 Cb -0.03 -2.84 -0.11 0.00 0.50 0.00 0.00 46.19 43.72 1x6b s LEU 43 CO -0.00 -0.84 1.46 -0.69 -1.32 0.00 0.00 176.35 174.96 1x6b s VAL 44 N 3.03 2.22 0.00 1.68 1.01 0.58 0.19 120.40 129.12 1x6b s VAL 44 Ca 0.26 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1x6b s VAL 44 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1x6b s VAL 44 CO 0.21 0.05 0.00 0.18 0.00 0.00 0.00 175.10 175.53 1x6b n LEU 45 N 0.86 2.78 -3.78 3.92 4.77 0.53 -4.44 117.00 121.63 1x6b n LEU 45 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1x6b n LEU 45 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1x6b n LEU 45 CO 0.63 0.46 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.78 1x6b s GLN 46 N -2.00 0.07 -0.21 3.23 -0.21 -0.79 -4.98 119.66 114.76 1x6b s GLN 46 Ca 0.00 0.25 -0.03 0.00 0.02 0.00 0.00 55.36 55.59 1x6b s GLN 46 Cb 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 33.01 33.88 1x6b s GLN 46 CO 0.00 -0.11 -0.06 -0.65 -2.12 0.00 0.00 175.29 172.35 1x6b s GLN 47 N 0.77 3.36 -0.17 2.91 -0.21 -1.26 0.18 119.66 125.25 1x6b s GLN 47 Ca -0.06 -0.64 -0.00 0.00 0.02 0.00 0.00 55.36 54.68 1x6b s GLN 47 Cb -0.08 -2.97 0.04 0.00 1.00 0.00 0.00 33.01 31.00 1x6b s GLN 47 CO -0.03 -0.17 -0.07 -2.00 -2.12 0.00 0.00 175.29 170.89 1x6b s GLU 48 N 1.40 1.64 -0.77 2.91 2.12 -0.23 -5.00 118.70 120.75 1x6b s GLU 48 Ca 0.05 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.49 1x6b s GLU 48 Cb -0.14 -2.08 -0.19 0.00 0.26 0.00 0.00 34.13 31.98 1x6b s GLU 48 CO -0.03 -0.41 2.27 -3.47 -0.54 0.00 0.00 175.26 173.08 1x6b n ASP 49 N 4.83 0.37 0.00 -1.70 2.03 -1.26 0.13 116.55 120.94 1x6b n ASP 49 Ca -0.13 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1x6b n ASP 49 Cb 0.48 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 50 N 6.04 3.81 3.12 0.27 0.00 -1.26 -5.08 105.19 112.09 1x6b n GLY 50 Ca 0.56 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1x6b n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 51 N 0.00 0.39 -0.01 1.61 0.52 0.34 -4.78 118.94 117.01 1x6b s TRP 51 Ca 0.00 -0.88 0.05 0.00 0.02 0.00 0.00 56.10 55.28 1x6b s TRP 51 Cb 0.00 -0.28 -0.01 0.00 -1.15 0.00 0.00 33.47 32.03 1x6b s TRP 51 CO 0.00 -0.42 -0.15 -0.51 0.02 0.00 0.00 176.95 175.89 1x6b s LEU 52 N -2.82 2.02 0.00 2.99 2.01 -0.60 -1.07 118.68 121.22 1x6b s LEU 52 Ca 0.05 -0.28 0.03 0.00 0.01 0.00 0.00 54.13 53.94 1x6b s LEU 52 Cb 0.06 -0.80 -0.03 0.00 0.01 0.00 0.00 46.19 45.43 1x6b s LEU 52 CO -0.10 0.19 -0.05 -0.47 1.01 0.00 0.00 176.35 176.93 1x6b s TYR 53 N -0.34 2.93 0.13 0.29 5.04 0.49 0.18 117.35 126.06 1x6b s TYR 53 Ca 0.05 -0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.57 1x6b s TYR 53 Cb -0.06 -1.62 0.04 0.00 0.35 0.00 0.00 41.96 40.67 1x6b s TYR 53 CO -0.00 0.40 0.52 0.41 -1.34 0.00 0.00 175.55 175.53 1x6b n GLY 54 N 1.51 1.05 2.95 8.97 0.00 -0.88 0.20 105.19 118.99 1x6b n GLY 54 Ca -0.15 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 1x6b n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 55 N -2.03 1.77 -0.13 1.61 2.12 0.52 -2.07 118.70 120.49 1x6b s GLU 55 Ca 0.11 -0.75 -0.32 0.00 0.36 0.00 0.00 54.97 54.38 1x6b s GLU 55 Cb -0.02 -2.30 -0.09 0.00 0.26 0.00 0.00 34.13 31.98 1x6b s GLU 55 CO 0.04 -0.45 2.03 -2.13 -0.54 0.00 0.00 175.26 174.21 1x6b n ARG 56 N 4.75 2.14 0.14 4.30 0.63 0.15 -1.43 116.66 127.33 1x6b n ARG 56 Ca -0.13 0.72 0.12 0.00 -0.92 0.00 0.00 57.85 57.64 1x6b n ARG 56 Cb 0.47 -2.85 0.51 0.00 0.45 0.00 0.00 32.46 31.04 1x6b n ARG 56 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x6b n LEU 57 N 8.55 0.63 0.21 6.15 7.99 -1.16 0.20 117.00 139.57 1x6b n LEU 57 Ca 0.26 0.69 -0.09 0.00 -0.01 0.00 0.00 56.01 56.86 1x6b n LEU 57 Cb 0.35 -0.64 -0.05 0.00 -0.11 0.00 0.00 43.42 42.97 1x6b n LEU 57 CO 0.71 -0.66 0.52 -0.09 -1.51 0.00 0.00 177.39 176.35 1x6b h ARG 58 N 0.00 -0.56 0.00 3.23 2.43 -1.87 -3.39 114.38 114.23 1x6b h ARG 58 Ca 0.00 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1x6b h ARG 58 Cb 0.27 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1x6b h ARG 58 CO 0.00 -0.37 -1.32 -3.47 -1.51 0.00 0.00 179.97 173.30 1x6b n ASP 59 N -3.78 3.69 0.00 -3.80 2.03 -1.19 -5.01 116.55 108.49 1x6b n ASP 59 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1x6b n ASP 59 Cb 0.24 0.92 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 60 N 2.44 0.89 3.67 0.27 0.00 0.53 -5.05 105.19 107.94 1x6b n GLY 60 Ca -0.05 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.45 1x6b n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x6b n GLU 61 N -0.65 1.57 -3.65 1.61 2.13 -1.21 -4.28 120.64 116.17 1x6b n GLU 61 Ca 0.00 0.57 -0.39 0.00 0.66 0.00 0.00 57.16 58.00 1x6b n GLU 61 Cb 0.00 -2.30 -0.12 0.00 0.27 0.00 0.00 31.44 29.29 1x6b n GLU 61 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x6b s THR 62 N 2.54 4.50 0.18 6.31 2.01 -1.26 0.34 115.64 130.26 1x6b s THR 62 Ca 0.91 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1x6b s THR 62 Cb -0.88 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1x6b s THR 62 CO 0.53 -0.06 0.23 0.61 -0.69 0.00 0.00 174.62 175.24 1x6b n GLY 63 N 4.97 2.82 3.58 4.40 0.00 -0.88 -4.96 105.19 115.13 1x6b n GLY 63 Ca -0.13 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 1x6b n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 64 N -3.60 3.22 -0.04 1.61 0.52 0.21 -2.08 118.94 118.78 1x6b s TRP 64 Ca 0.17 0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.46 1x6b s TRP 64 Cb -0.00 -2.44 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 1x6b s TRP 64 CO 0.12 -0.20 -0.16 -0.59 0.02 0.00 0.00 176.95 176.14 1x6b s PHE 65 N 1.82 2.65 0.47 -1.98 -0.12 0.46 -3.46 117.98 117.83 1x6b s PHE 65 Ca 0.09 -0.20 -0.21 0.00 -0.05 0.00 0.00 56.93 56.56 1x6b s PHE 65 Cb -0.16 -1.60 -0.09 0.00 -0.63 0.00 0.00 43.02 40.54 1x6b s PHE 65 CO 0.11 0.17 1.04 -1.25 -0.05 0.00 0.00 175.22 175.24 1x6b s PRO 66 N -0.77 3.87 0.11 1.99 0.04 -1.26 -1.56 135.00 137.42 1x6b s PRO 66 Ca 0.12 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1x6b s PRO 66 Cb -0.11 -2.18 -0.16 0.00 0.04 0.00 0.00 34.50 32.09 1x6b s PRO 66 CO 0.01 -0.38 1.24 1.05 0.04 0.00 0.00 177.00 178.96 1x6b h GLU 67 N 1.75 0.41 -0.75 4.56 4.11 -1.88 -3.12 114.58 119.65 1x6b h GLU 67 Ca -0.49 -0.50 0.20 0.00 0.07 0.00 0.00 59.36 58.64 1x6b h GLU 67 Cb 1.22 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1x6b h GLU 67 CO 0.60 1.17 0.53 -0.44 0.07 0.00 0.00 179.01 180.93 1x6b h ASP 68 N 0.20 0.10 -0.68 3.06 5.19 -1.95 0.44 116.42 122.78 1x6b h ASP 68 Ca -0.11 0.01 -0.41 0.00 -0.62 0.00 0.00 57.03 55.90 1x6b h ASP 68 Cb 1.71 -0.01 -0.24 0.00 0.18 0.00 0.00 39.33 40.97 1x6b h ASP 68 CO 0.18 0.04 0.16 0.49 -3.12 0.00 0.00 179.24 176.99 1x6b n PHE 69 N -4.36 2.21 -3.74 4.55 3.72 -1.18 -4.92 117.46 113.73 1x6b n PHE 69 Ca 0.15 -2.05 -0.13 0.00 -0.05 0.00 0.00 57.45 55.37 1x6b n PHE 69 Cb 0.75 -0.77 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 1x6b n PHE 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b s ALA 70 N -3.44 -0.84 -0.28 4.37 0.00 0.16 -2.84 121.76 118.90 1x6b s ALA 70 Ca 0.52 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1x6b s ALA 70 Cb 0.44 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.76 1x6b s ALA 70 CO 0.03 -0.30 -0.04 1.03 0.00 0.00 0.00 175.76 176.48 1x6b s ARG 71 N -1.57 1.78 -0.54 0.00 0.52 0.23 -4.80 118.95 114.57 1x6b s ARG 71 Ca -0.12 -1.42 -0.29 0.00 -0.52 0.00 0.00 55.73 53.39 1x6b s ARG 71 Cb -0.04 -2.87 -0.11 0.00 0.52 0.00 0.00 34.95 32.46 1x6b s ARG 71 CO 0.03 -0.71 2.42 1.19 0.02 0.00 0.00 175.30 178.25 1x6b n PHE 72 N 4.45 1.34 0.50 -0.53 3.72 -1.26 0.03 117.46 125.71 1x6b n PHE 72 Ca -0.07 0.17 -0.20 0.00 -0.05 0.00 0.00 57.45 57.30 1x6b n PHE 72 Cb 0.42 -2.58 -0.10 0.00 -0.94 0.00 0.00 39.48 36.29 1x6b n PHE 72 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x6b h ILE 73 N 7.61 0.04 -3.26 4.37 2.04 -0.06 -3.43 117.51 124.81 1x6b h ILE 73 Ca -0.22 -0.04 -0.41 0.00 1.00 0.00 0.00 64.86 65.19 1x6b h ILE 73 Cb 1.28 0.04 -0.39 0.00 -0.74 0.00 0.00 36.82 37.01 1x6b h ILE 73 CO 1.16 0.00 -0.75 -0.55 0.00 0.00 0.00 178.15 178.01 1x6b s SER 74 N -4.10 1.49 0.00 1.72 0.15 -1.23 -5.03 113.70 106.71 1x6b s SER 74 Ca -0.19 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1x6b s SER 74 Cb 0.02 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1x6b s SER 74 CO 0.58 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1x6b n GLY 75 N 5.25 5.06 3.36 9.45 0.00 -1.26 -3.98 105.19 123.07 1x6b n GLY 75 Ca -0.05 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1x6b n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6b n PRO 76 N 0.00 2.33 -1.52 1.61 -0.04 -1.26 -4.76 135.00 131.36 1x6b n PRO 76 Ca 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1x6b n PRO 76 Cb 0.00 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 1x6b n PRO 76 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x6b n SER 77 N 9.86 -8.21 -4.03 3.54 7.64 -1.26 -5.03 113.62 116.13 1x6b n SER 77 Ca 0.48 1.50 -0.10 0.00 1.01 0.00 0.00 58.87 61.76 1x6b n SER 77 Cb 0.44 -4.71 -0.11 0.00 -1.01 0.00 0.00 64.21 58.83 1x6b n SER 77 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6b s SER 78 N -4.34 0.49 0.00 6.43 0.15 -1.26 -5.14 113.70 110.03 1x6b s SER 78 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1x6b s SER 78 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1x6b s SER 78 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74