#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b s SER 2 N 0.00 0.73 0.41 1.61 1.04 -1.26 -5.17 113.70 111.06 1x6b s SER 2 Ca 0.00 -1.25 0.06 0.00 0.48 0.00 0.00 55.95 55.24 1x6b s SER 2 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1x6b s SER 2 CO 0.00 -0.69 0.57 -0.55 0.98 0.00 0.00 173.24 173.55 1x6b s SER 3 N -3.15 5.75 0.00 7.02 0.15 -1.26 -5.09 113.70 117.12 1x6b s SER 3 Ca 0.28 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x6b s SER 3 Cb 0.07 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1x6b s SER 3 CO 0.06 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1x6b n GLY 4 N -1.85 3.34 3.52 9.45 0.00 -1.26 -5.17 105.19 113.21 1x6b n GLY 4 Ca 0.04 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1x6b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6b s SER 5 N 2.00 3.96 0.53 1.61 1.04 -1.26 -5.04 113.70 116.54 1x6b s SER 5 Ca 0.00 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1x6b s SER 5 Cb 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1x6b s SER 5 CO 0.00 0.11 0.00 -1.20 0.98 0.00 0.00 173.24 173.13 1x6b n SER 6 N 0.10 -7.74 0.00 7.02 7.64 -1.26 -5.03 113.62 114.36 1x6b n SER 6 Ca -0.11 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x6b n SER 6 Cb 0.56 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 1x6b n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6b n GLY 7 N -4.23 -0.39 0.83 0.23 0.00 -1.26 -5.09 105.19 95.29 1x6b n GLY 7 Ca -0.07 0.81 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 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 -2.53 1.61 7.02 -1.26 -5.10 117.44 117.18 1x6b n TRP 8 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1x6b n TRP 8 Cb 0.00 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 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 -3.26 -2.32 -2.30 -0.99 0.00 -1.26 -4.77 117.38 102.48 1x6b n GLN 9 Ca -0.02 2.05 -0.04 0.00 -0.00 0.00 0.00 57.00 58.99 1x6b n GLN 9 Cb 0.07 -4.70 -0.04 0.00 0.00 0.00 0.00 30.24 25.57 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 0.07 -4.70 3.58 1.69 0.00 -1.26 -4.80 105.19 99.76 1x6b n GLY 10 Ca 0.05 1.26 -0.40 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.49 3.41 -0.75 0.99 1.43 -1.26 -4.90 118.68 117.12 1x6b s LEU 11 Ca -0.22 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1x6b s LEU 11 Cb 0.01 -3.02 0.18 0.00 0.03 0.00 0.00 46.19 43.39 1x6b s LEU 11 CO 0.59 -2.16 0.57 -0.44 0.23 0.00 0.00 176.35 175.14 1x6b s SER 12 N 8.05 5.24 0.30 2.29 0.01 -1.26 -5.07 113.70 123.26 1x6b s SER 12 Ca 0.81 -3.64 -0.30 0.00 1.31 0.00 0.00 55.95 54.14 1x6b s SER 12 Cb -0.20 -1.76 -0.12 0.00 0.21 0.00 0.00 66.02 64.15 1x6b s SER 12 CO 0.28 -0.16 1.42 -1.20 0.41 0.00 0.00 173.24 174.00 1x6b n SER 13 N 2.35 3.14 -4.84 2.44 7.64 -1.26 -5.00 113.62 118.10 1x6b n SER 13 Ca 0.18 1.17 -0.21 0.00 1.01 0.00 0.00 58.87 61.02 1x6b n SER 13 Cb 0.36 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 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 -1.09 2.61 0.00 1.43 0.00 -1.26 -5.05 119.74 116.38 1x6b s LYS 14 Ca 0.61 -1.41 0.00 0.00 0.00 0.00 0.00 55.97 55.17 1x6b s LYS 14 Cb -0.57 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 34.87 1x6b s LYS 14 CO 0.55 0.02 0.00 0.41 0.00 0.00 0.00 175.35 176.33 1x6b n GLY 15 N -1.38 -1.34 1.65 0.59 0.00 -1.26 -5.00 105.19 98.45 1x6b n GLY 15 Ca -0.01 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.57 0.64 -4.31 1.61 8.00 -1.26 -5.12 116.55 114.53 1x6b n ASP 16 Ca 0.00 -2.01 -0.34 0.00 0.71 0.00 0.00 54.79 53.15 1x6b n ASP 16 Cb 0.00 -0.18 0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1x6b n ASP 16 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x6b n LEU 17 N 0.17 -1.65 -4.78 0.64 4.77 -1.26 -4.91 117.00 109.97 1x6b n LEU 17 Ca -0.01 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.85 1x6b n LEU 17 Cb 1.01 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1x6b n LEU 17 CO -0.05 -4.00 0.73 -2.16 -1.33 0.00 0.00 177.39 170.59 1x6b s PRO 18 N -3.26 4.09 0.01 3.23 0.04 -1.26 -4.90 135.00 132.95 1x6b s PRO 18 Ca 0.53 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1x6b s PRO 18 Cb -0.18 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1x6b s PRO 18 CO 0.70 -0.21 -0.18 -0.65 0.04 0.00 0.00 177.00 176.71 1x6b s GLN 19 N -2.64 1.33 0.00 4.56 -0.21 -1.26 -1.83 119.66 119.61 1x6b s GLN 19 Ca 0.60 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 55.27 1x6b s GLN 19 Cb -0.21 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 1x6b s GLN 19 CO 0.26 0.36 -0.16 0.14 -2.12 0.00 0.00 175.29 173.77 1x6b s VAL 20 N -0.62 1.29 -0.33 1.09 -7.23 -1.18 -0.16 120.40 113.26 1x6b s VAL 20 Ca 0.06 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.29 1x6b s VAL 20 Cb -0.08 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1x6b s VAL 20 CO 0.00 0.29 0.35 -0.70 -0.31 0.00 0.00 175.10 174.74 1x6b s GLU 21 N -0.57 3.63 -0.37 4.82 2.12 -0.94 -2.97 118.70 124.42 1x6b s GLU 21 Ca 0.06 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.75 1x6b s GLU 21 Cb -0.07 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1x6b s GLU 21 CO -0.00 -0.48 2.10 0.42 -0.54 0.00 0.00 175.26 176.76 1x6b s ILE 22 N 2.01 3.18 0.08 -3.70 -1.09 0.83 -1.88 121.20 120.64 1x6b s ILE 22 Ca 0.12 0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.47 1x6b s ILE 22 Cb -0.16 -3.32 -0.15 0.00 -1.58 0.00 0.00 42.46 37.25 1x6b s ILE 22 CO 0.11 -0.25 1.70 0.71 -1.23 0.00 0.00 174.94 175.99 1x6b h THR 23 N 7.16 1.04 -3.51 2.92 1.35 -1.85 1.88 112.91 121.90 1x6b h THR 23 Ca -0.33 -0.12 -0.45 0.00 -0.55 0.00 0.00 66.41 64.97 1x6b h THR 23 Cb 1.22 1.09 -0.18 0.00 -1.73 0.00 0.00 68.15 68.54 1x6b h THR 23 CO 1.07 0.03 -0.77 -1.59 -0.25 0.00 0.00 175.52 174.01 1x6b s LYS 24 N -6.01 1.10 0.51 4.72 0.00 -1.26 -3.76 119.74 115.03 1x6b s LYS 24 Ca -0.13 -1.29 -0.22 0.00 0.00 0.00 0.00 55.97 54.33 1x6b s LYS 24 Cb 0.06 -1.04 -0.07 0.00 0.00 0.00 0.00 37.83 36.78 1x6b s LYS 24 CO 0.66 0.20 1.23 0.00 0.00 0.00 0.00 175.35 177.44 1x6b n ALA 25 N 0.47 1.11 -3.87 0.59 0.00 -1.26 -4.60 120.51 112.95 1x6b n ALA 25 Ca -0.15 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1x6b n ALA 25 Cb 0.57 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.30 3.00 -0.59 0.00 5.36 -0.79 -4.93 117.98 118.72 1x6b s PHE 26 Ca 0.68 -3.06 -0.26 0.00 -0.96 0.00 0.00 56.93 53.33 1x6b s PHE 26 Cb -0.46 -2.54 -0.08 0.00 -0.34 0.00 0.00 43.02 39.60 1x6b s PHE 26 CO 0.52 -0.69 2.35 -0.06 -1.46 0.00 0.00 175.22 175.88 1x6b s PHE 27 N -0.52 1.16 0.21 10.12 0.08 -1.26 -3.13 117.98 124.64 1x6b s PHE 27 Ca 0.20 1.58 -0.32 0.00 0.12 0.00 0.00 56.93 58.52 1x6b s PHE 27 Cb -0.18 -3.60 -0.14 0.00 -0.57 0.00 0.00 43.02 38.53 1x6b s PHE 27 CO -0.06 -2.25 1.43 0.00 -0.10 0.00 0.00 175.22 174.24 1x6b n ALA 28 N 16.30 1.00 -0.07 5.36 0.00 -1.26 -4.88 120.51 136.96 1x6b n ALA 28 Ca 0.38 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 54.17 1x6b n ALA 28 Cb 0.52 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1x6b n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x6b n LYS 29 N 2.33 1.35 -2.67 0.00 -0.00 -1.26 -4.91 118.16 113.00 1x6b n LYS 29 Ca 0.13 0.03 -0.23 0.00 -0.00 0.00 0.00 58.31 58.25 1x6b n LYS 29 Cb 0.30 -1.31 0.10 0.00 -0.00 0.00 0.00 35.03 34.12 1x6b n LYS 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1x6b s GLN 30 N -2.30 1.80 0.00 -1.58 -0.21 -1.26 -5.00 119.66 111.12 1x6b s GLN 30 Ca -0.12 -1.21 0.26 0.00 0.02 0.00 0.00 55.36 54.31 1x6b s GLN 30 Cb 0.04 -2.39 0.69 0.00 1.00 0.00 0.00 33.01 32.35 1x6b s GLN 30 CO 0.43 -1.33 1.52 0.00 -2.12 0.00 0.00 175.29 173.80 1x6b n ALA 31 N -2.72 3.19 0.01 6.09 0.00 -1.26 -3.56 120.51 122.27 1x6b n ALA 31 Ca 0.15 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.26 1x6b n ALA 31 Cb 0.61 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.82 0.28 -4.79 0.00 5.68 -1.26 -4.95 116.55 110.70 1x6b n ASP 32 Ca 0.11 0.11 -0.27 0.00 -0.50 0.00 0.00 54.79 54.24 1x6b n ASP 32 Cb 0.35 1.32 0.10 0.00 -1.14 0.00 0.00 41.12 41.74 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 -3.28 1.86 -0.04 0.11 2.02 -1.23 0.12 118.70 118.26 1x6b s GLU 33 Ca -0.06 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 1x6b s GLU 33 Cb 0.11 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.30 1x6b s GLU 33 CO 0.86 -1.55 0.11 0.54 0.02 0.00 0.00 175.26 175.24 1x6b s VAL 34 N -3.45 -0.00 0.22 2.63 0.11 -1.24 -4.56 120.40 114.11 1x6b s VAL 34 Ca 0.63 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.39 1x6b s VAL 34 Cb -0.09 -0.16 -0.09 0.00 -1.53 0.00 0.00 36.38 34.51 1x6b s VAL 34 CO 0.47 0.00 1.21 -0.89 -3.33 0.00 0.00 175.10 172.56 1x6b s THR 35 N 0.10 3.42 0.13 5.04 2.01 -1.25 -4.33 115.64 120.76 1x6b s THR 35 Ca -0.00 1.25 0.04 0.00 0.31 0.00 0.00 61.69 63.29 1x6b s THR 35 Cb -0.01 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1x6b s THR 35 CO -0.00 0.22 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.29 1x6b s LEU 36 N -0.57 2.49 0.28 4.42 1.43 -1.18 -4.93 118.68 120.62 1x6b s LEU 36 Ca 0.52 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1x6b s LEU 36 Cb -0.34 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1x6b s LEU 36 CO 0.39 -0.31 0.09 -1.10 0.23 0.00 0.00 176.35 175.65 1x6b s GLN 37 N -3.46 2.48 0.13 1.70 -1.52 -1.26 -1.89 119.66 115.84 1x6b s GLN 37 Ca 0.13 -1.35 -0.31 0.00 -1.95 0.00 0.00 55.36 51.88 1x6b s GLN 37 Cb 0.01 -2.28 -0.10 0.00 -0.22 0.00 0.00 33.01 30.43 1x6b s GLN 37 CO 0.00 0.30 1.67 -1.14 -0.25 0.00 0.00 175.29 175.88 1x6b s GLN 38 N -3.77 4.18 -0.57 2.91 0.74 -1.26 -2.36 119.66 119.53 1x6b s GLN 38 Ca 0.34 2.43 -0.01 0.00 0.05 0.00 0.00 55.36 58.17 1x6b s GLN 38 Cb -0.06 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1x6b s GLN 38 CO 0.22 -0.71 0.48 0.00 -0.55 0.00 0.00 175.29 174.73 1x6b n ALA 39 N 4.82 -0.85 -2.71 1.58 0.00 0.64 -4.98 120.51 119.01 1x6b n ALA 39 Ca 0.16 0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1x6b n ALA 39 Cb 0.39 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 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 -3.51 5.07 -0.06 0.00 1.11 -0.99 -4.86 116.67 113.43 1x6b s ASP 40 Ca 0.07 -0.27 -0.01 0.00 0.18 0.00 0.00 52.55 52.52 1x6b s ASP 40 Cb -0.03 -1.19 -0.03 0.00 1.07 0.00 0.00 42.92 42.73 1x6b s ASP 40 CO 0.34 0.10 0.00 -0.69 1.18 0.00 0.00 175.17 176.10 1x6b s VAL 41 N -1.66 4.28 -0.07 -1.27 1.01 -1.26 -0.12 120.40 121.31 1x6b s VAL 41 Ca 0.28 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1x6b s VAL 41 Cb -0.10 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1x6b s VAL 41 CO 0.20 0.53 0.16 -0.69 0.00 0.00 0.00 175.10 175.31 1x6b s VAL 42 N -0.95 -0.08 -0.47 2.92 1.01 -1.16 -2.93 120.40 118.74 1x6b s VAL 42 Ca 0.15 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1x6b s VAL 42 Cb -0.11 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1x6b s VAL 42 CO 0.05 0.08 0.87 -0.22 0.00 0.00 0.00 175.10 175.88 1x6b s LEU 43 N 1.35 4.12 0.37 3.92 2.96 0.14 -3.09 118.68 128.46 1x6b s LEU 43 Ca -0.07 -0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.53 1x6b s LEU 43 Cb -0.12 -3.06 -0.11 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO -0.06 -1.01 1.48 0.52 -1.32 0.00 0.00 176.35 175.96 1x6b n VAL 44 N 6.28 1.98 -0.01 1.68 0.31 -0.76 0.20 118.33 128.02 1x6b n VAL 44 Ca 0.04 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.87 1x6b n VAL 44 Cb 0.48 -1.95 -0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1x6b n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x6b n LEU 45 N 0.50 2.85 -3.69 7.52 4.77 0.49 -4.63 117.00 124.81 1x6b n LEU 45 Ca 0.02 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1x6b n LEU 45 Cb 0.39 -0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.28 1x6b n LEU 45 CO 0.64 0.49 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.82 1x6b s GLN 46 N -2.02 0.00 -0.34 3.23 -0.21 -0.80 -4.99 119.66 114.53 1x6b s GLN 46 Ca -0.01 0.46 -0.14 0.00 0.02 0.00 0.00 55.36 55.68 1x6b s GLN 46 Cb 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 1x6b s GLN 46 CO 0.02 -0.28 0.29 -0.65 -2.12 0.00 0.00 175.29 172.55 1x6b s GLN 47 N 2.01 3.51 -0.20 2.91 -0.21 -1.26 0.46 119.66 126.88 1x6b s GLN 47 Ca 0.01 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 54.83 1x6b s GLN 47 Cb -0.12 -3.81 0.04 0.00 1.00 0.00 0.00 33.01 30.12 1x6b s GLN 47 CO -0.05 -0.49 -0.12 -2.00 -2.12 0.00 0.00 175.29 170.51 1x6b s GLU 48 N 1.84 2.23 -0.83 2.91 2.12 -0.28 -5.00 118.70 121.68 1x6b s GLU 48 Ca 0.08 -0.86 -0.34 0.00 0.36 0.00 0.00 54.97 54.22 1x6b s GLU 48 Cb -0.17 -2.45 -0.20 0.00 0.26 0.00 0.00 34.13 31.57 1x6b s GLU 48 CO 0.11 -0.38 2.46 -3.47 -0.54 0.00 0.00 175.26 173.44 1x6b n ASP 49 N 4.66 0.41 0.00 -1.70 -0.08 -1.26 0.13 116.55 118.71 1x6b n ASP 49 Ca -0.16 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1x6b n ASP 49 Cb 0.47 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.04 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 50 N 6.58 3.76 3.00 0.27 0.00 -1.26 -5.07 105.19 112.47 1x6b n GLY 50 Ca 0.61 -0.97 -0.10 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 0.13 -0.20 1.61 0.52 0.35 -4.69 118.94 116.65 1x6b s TRP 51 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.86 1x6b s TRP 51 Cb 0.00 -0.10 0.02 0.00 -1.15 0.00 0.00 33.47 32.24 1x6b s TRP 51 CO 0.00 -0.18 -0.16 -0.51 0.02 0.00 0.00 176.95 176.12 1x6b s LEU 52 N -1.08 2.43 0.08 2.99 2.01 0.42 -1.13 118.68 124.40 1x6b s LEU 52 Ca -0.12 -0.71 -0.15 0.00 0.01 0.00 0.00 54.13 53.16 1x6b s LEU 52 Cb -0.07 -1.53 -0.06 0.00 0.01 0.00 0.00 46.19 44.54 1x6b s LEU 52 CO -0.00 -0.03 0.49 -0.47 1.01 0.00 0.00 176.35 177.35 1x6b s TYR 53 N 1.29 3.68 0.06 0.29 5.04 0.17 -0.39 117.35 127.50 1x6b s TYR 53 Ca 0.03 1.05 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1x6b s TYR 53 Cb -0.14 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.84 1x6b s TYR 53 CO -0.10 0.53 0.18 0.41 -1.34 0.00 0.00 175.55 175.23 1x6b n GLY 54 N 1.27 1.49 3.09 8.97 0.00 -1.08 0.19 105.19 119.12 1x6b n GLY 54 Ca -0.09 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.01 2.25 -0.32 1.61 2.12 0.54 -2.65 118.70 120.24 1x6b s GLU 55 Ca 0.04 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 1x6b s GLU 55 Cb -0.01 -1.79 -0.01 0.00 0.26 0.00 0.00 34.13 32.58 1x6b s GLU 55 CO 0.02 0.06 1.52 0.50 -0.54 0.00 0.00 175.26 176.82 1x6b s ARG 56 N 0.62 3.67 0.29 4.30 3.52 0.14 0.25 118.95 131.73 1x6b s ARG 56 Ca -0.15 1.31 0.21 0.00 -0.13 0.00 0.00 55.73 56.97 1x6b s ARG 56 Cb -0.16 -4.03 1.06 0.00 -1.56 0.00 0.00 34.95 30.26 1x6b s ARG 56 CO 0.04 -1.45 1.63 1.28 -0.81 0.00 0.00 175.30 175.99 1x6b n LEU 57 N 8.74 0.54 0.15 -0.88 7.99 -1.15 0.20 117.00 132.59 1x6b n LEU 57 Ca 0.18 0.73 -0.07 0.00 -0.01 0.00 0.00 56.01 56.83 1x6b n LEU 57 Cb 0.47 -0.76 -0.04 0.00 -0.11 0.00 0.00 43.42 42.97 1x6b n LEU 57 CO 0.67 -0.85 0.51 -0.09 -1.51 0.00 0.00 177.39 176.12 1x6b h ARG 58 N 0.00 -0.43 0.00 3.23 2.43 -1.88 -3.39 114.38 114.34 1x6b h ARG 58 Ca 0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1x6b h ARG 58 Cb 0.07 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1x6b h ARG 58 CO 0.00 -0.29 -1.15 -3.47 -1.51 0.00 0.00 179.97 173.55 1x6b n ASP 59 N -3.44 4.38 0.00 -3.80 -0.08 -1.12 -5.01 116.55 107.48 1x6b n ASP 59 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1x6b n ASP 59 Cb 0.19 0.80 0.00 0.00 2.34 0.00 0.00 41.12 44.45 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 60 N 2.63 0.91 3.66 0.27 0.00 0.53 -5.04 105.19 108.15 1x6b n GLY 60 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.40 1.73 -3.79 1.61 2.13 -1.22 -4.27 120.64 116.44 1x6b n GLU 61 Ca 0.00 0.63 -0.37 0.00 0.66 0.00 0.00 57.16 58.08 1x6b n GLU 61 Cb 0.00 -2.37 -0.13 0.00 0.27 0.00 0.00 31.44 29.21 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 2.16 3.89 0.18 6.31 2.01 -1.26 0.24 115.64 129.17 1x6b s THR 62 Ca 0.88 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1x6b s THR 62 Cb -0.82 -2.95 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 1x6b s THR 62 CO 0.49 0.17 0.23 0.61 -0.69 0.00 0.00 174.62 175.42 1x6b n GLY 63 N 4.86 2.82 3.61 4.40 0.00 -1.08 -4.96 105.19 114.84 1x6b n GLY 63 Ca -0.15 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.62 3.25 -0.07 1.61 0.52 0.12 -2.63 118.94 118.11 1x6b s TRP 64 Ca 0.16 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.59 1x6b s TRP 64 Cb -0.00 -2.45 -0.00 0.00 -1.15 0.00 0.00 33.47 29.87 1x6b s TRP 64 CO 0.12 -0.16 -0.20 -0.59 0.02 0.00 0.00 176.95 176.13 1x6b s PHE 65 N 1.79 2.13 0.56 -1.98 -0.12 0.48 -3.69 117.98 117.15 1x6b s PHE 65 Ca 0.11 -0.75 -0.17 0.00 -0.05 0.00 0.00 56.93 56.07 1x6b s PHE 65 Cb -0.16 -1.43 -0.05 0.00 -0.63 0.00 0.00 43.02 40.75 1x6b s PHE 65 CO 0.10 -0.29 1.05 -1.25 -0.05 0.00 0.00 175.22 174.78 1x6b s PRO 66 N 0.21 3.49 0.18 1.99 0.04 -1.26 -0.44 135.00 139.21 1x6b s PRO 66 Ca -0.11 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 1x6b s PRO 66 Cb -0.15 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1x6b s PRO 66 CO 0.05 -0.67 1.45 1.05 0.04 0.00 0.00 177.00 178.92 1x6b h GLU 67 N 0.76 0.48 -0.26 4.56 4.11 -1.88 -2.83 114.58 119.51 1x6b h GLU 67 Ca -0.47 -0.36 0.08 0.00 0.07 0.00 0.00 59.36 58.67 1x6b h GLU 67 Cb 1.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1x6b h GLU 67 CO 0.58 0.99 0.46 0.22 0.07 0.00 0.00 179.01 181.33 1x6b h ASP 68 N 0.34 0.00 -0.48 3.06 1.82 -1.94 1.10 116.42 120.31 1x6b h ASP 68 Ca -0.02 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.38 1x6b h ASP 68 Cb 1.25 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.12 1x6b h ASP 68 CO 0.12 0.00 0.07 0.49 -1.61 0.00 0.00 179.24 178.31 1x6b n PHE 69 N -3.32 1.50 -3.66 0.28 3.01 -1.07 -4.94 117.46 109.26 1x6b n PHE 69 Ca 0.04 -1.61 -0.09 0.00 1.01 0.00 0.00 57.45 56.80 1x6b n PHE 69 Cb 0.58 -0.58 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 1x6b n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x6b s ALA 70 N -3.23 -1.43 -0.21 4.37 0.00 0.38 -3.40 121.76 118.23 1x6b s ALA 70 Ca 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1x6b s ALA 70 Cb 0.42 0.83 0.06 0.00 0.00 0.00 0.00 23.12 24.44 1x6b s ALA 70 CO 0.03 -0.91 0.03 1.03 0.00 0.00 0.00 175.76 175.93 1x6b s ARG 71 N -3.78 0.78 0.08 0.00 0.52 -0.79 -4.83 118.95 110.93 1x6b s ARG 71 Ca 0.07 -0.54 -0.35 0.00 -0.52 0.00 0.00 55.73 54.38 1x6b s ARG 71 Cb -0.03 -2.16 -0.15 0.00 0.52 0.00 0.00 34.95 33.13 1x6b s ARG 71 CO -0.02 -0.66 1.56 1.19 0.02 0.00 0.00 175.30 177.38 1x6b n PHE 72 N 4.99 2.05 -3.69 -0.53 3.72 -1.26 -2.21 117.46 120.52 1x6b n PHE 72 Ca -0.09 0.36 -0.38 0.00 -0.05 0.00 0.00 57.45 57.29 1x6b n PHE 72 Cb 0.46 -2.49 -0.11 0.00 -0.94 0.00 0.00 39.48 36.41 1x6b n PHE 72 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1x6b s ILE 73 N 1.38 3.70 -0.23 4.37 1.01 0.77 -4.61 121.20 127.60 1x6b s ILE 73 Ca 0.84 -1.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1x6b s ILE 73 Cb -0.79 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1x6b s ILE 73 CO 0.44 -0.63 0.20 -0.24 0.00 0.00 0.00 174.94 174.71 1x6b n SER 74 N 4.75 -2.97 -3.55 3.58 2.88 -1.26 -4.28 113.62 112.76 1x6b n SER 74 Ca -0.06 -0.15 -0.06 0.00 -1.33 0.00 0.00 58.87 57.26 1x6b n SER 74 Cb 0.42 -1.52 -0.02 0.00 -0.75 0.00 0.00 64.21 62.33 1x6b n SER 74 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6b s GLY 75 N -3.09 -0.38 0.86 0.46 0.00 -1.26 -4.91 107.32 98.99 1x6b s GLY 75 Ca 0.10 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.96 1x6b s GLY 75 CO 0.16 0.42 1.12 2.56 0.00 0.00 0.00 173.10 177.36 1x6b s PRO 76 N -2.80 1.55 0.74 2.90 0.04 -1.26 -4.95 135.00 131.23 1x6b s PRO 76 Ca 0.07 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.44 1x6b s PRO 76 Cb -0.01 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x6b s PRO 76 CO -0.07 -1.95 1.12 -1.12 0.04 0.00 0.00 177.00 175.02 1x6b s SER 77 N -3.98 5.08 -0.25 6.66 0.01 -1.26 -4.99 113.70 114.97 1x6b s SER 77 Ca 0.62 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.99 1x6b s SER 77 Cb -0.15 -1.80 0.06 0.00 0.21 0.00 0.00 66.02 64.34 1x6b s SER 77 CO 0.54 -1.57 -0.12 -0.94 0.41 0.00 0.00 173.24 171.56 1x6b s SER 78 N -4.34 4.30 0.00 2.44 1.04 -1.26 -5.22 113.70 110.66 1x6b s SER 78 Ca 0.59 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1x6b s SER 78 Cb -0.12 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1x6b s SER 78 CO 0.52 -0.17 0.23 0.61 0.98 0.00 0.00 173.24 175.41