#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n SER 3 N 0.00 0.00 -3.38 2.89 3.41 -1.26 -5.00 113.62 110.28 3i1s n SER 3 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3i1s n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i1s n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i1s n LEU 4 N -0.46 0.00 0.00 1.04 4.32 -1.26 -5.11 117.00 115.53 3i1s n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1s n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i1s n LEU 4 CO 0.00 -0.07 0.00 2.29 -1.22 0.00 0.00 177.39 178.39 3i1s n LYS 5 N 0.00 0.51 -2.02 3.23 -0.00 -1.26 -5.01 118.16 113.61 3i1s n LYS 5 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3i1s n LYS 5 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 3i1s n LYS 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1s s LYS 6 N 4.17 3.29 0.00 -1.58 3.01 -1.26 -4.45 119.74 122.92 3i1s s LYS 6 Ca 0.00 1.33 0.00 0.00 -1.01 0.00 0.00 55.97 56.29 3i1s s LYS 6 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 37.83 32.62 3i1s s LYS 6 CO 0.00 -1.91 0.00 0.41 0.51 0.00 0.00 175.35 174.36 3i1s n GLY 7 N 5.42 -0.20 3.60 -3.33 0.00 -1.26 -5.03 105.19 104.40 3i1s n GLY 7 Ca 0.22 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3i1s n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1s n PRO 8 N 0.99 1.30 -2.74 1.61 -0.02 -1.26 -4.95 135.00 129.92 3i1s n PRO 8 Ca 0.00 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 3i1s n PRO 8 Cb 0.00 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 3i1s n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i1s s PHE 9 N -1.29 3.44 0.34 6.00 2.19 -1.26 -5.06 117.98 122.34 3i1s s PHE 9 Ca 0.64 1.69 -0.16 0.00 0.33 0.00 0.00 56.93 59.43 3i1s s PHE 9 Cb -0.55 -2.94 0.04 0.00 -1.31 0.00 0.00 43.02 38.25 3i1s s PHE 9 CO 0.56 -0.11 0.72 0.42 1.83 0.00 0.00 175.22 178.64 3i1s s ILE 10 N -1.85 0.00 0.39 3.12 1.09 -1.26 -4.23 121.20 118.46 3i1s s ILE 10 Ca 0.57 -1.09 0.08 0.00 -1.10 0.00 0.00 60.65 59.10 3i1s s ILE 10 Cb -0.16 -2.55 -0.03 0.00 -1.06 0.00 0.00 42.46 38.66 3i1s s ILE 10 CO 0.20 0.00 0.28 -1.81 -0.10 0.00 0.00 174.94 173.51 3i1s s ASP 11 N -3.04 4.86 -0.03 3.58 1.11 -1.26 -5.05 116.67 116.85 3i1s s ASP 11 Ca 0.16 -0.80 -0.09 0.00 0.18 0.00 0.00 52.55 52.00 3i1s s ASP 11 Cb -0.05 -0.63 -0.30 0.00 1.07 0.00 0.00 42.92 43.01 3i1s s ASP 11 CO 0.11 -0.52 0.74 0.25 1.18 0.00 0.00 175.17 176.93 3i1s h LEU 12 N 1.25 0.57 -0.32 1.23 7.12 -2.03 -3.35 115.31 119.80 3i1s h LEU 12 Ca -0.43 -0.83 -0.19 0.00 0.13 0.00 0.00 57.88 56.56 3i1s h LEU 12 Cb 1.26 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 3i1s h LEU 12 CO 0.62 1.69 -0.67 1.12 -0.13 0.00 0.00 178.44 181.07 3i1s h HIS 13 N 0.10 0.89 0.00 1.25 2.07 -1.99 -3.09 115.15 114.38 3i1s h HIS 13 Ca -0.31 -0.36 -0.00 0.00 -2.85 0.00 0.00 60.37 56.84 3i1s h HIS 13 Cb 2.09 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 31.91 3i1s h HIS 13 CO 0.09 1.16 -0.01 1.37 -3.07 0.00 0.00 177.93 177.47 3i1s h LEU 14 N 0.49 0.00 -0.66 6.12 8.10 -2.00 -0.93 115.31 126.44 3i1s h LEU 14 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 3i1s h LEU 14 Cb 1.27 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.46 3i1s h LEU 14 CO 0.13 0.01 0.33 0.25 -4.11 0.00 0.00 178.44 175.05 3i1s h LEU 15 N 0.00 0.85 -0.43 0.17 6.46 -1.66 0.15 115.31 120.85 3i1s h LEU 15 Ca -0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 3i1s h LEU 15 Cb 0.02 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 3i1s h LEU 15 CO 0.00 0.73 0.00 0.29 -0.62 0.00 0.00 178.44 178.84 3i1s n LYS 16 N -4.49 0.70 -0.02 1.25 5.02 -0.36 -0.29 118.16 119.97 3i1s n LYS 16 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.31 3i1s n LYS 16 Cb 0.12 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3i1s n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1s n LYS 17 N -0.22 1.99 -0.07 1.97 4.76 -0.03 -4.35 118.16 122.22 3i1s n LYS 17 Ca 0.00 0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.24 3i1s n LYS 17 Cb 0.08 -1.10 -0.13 0.00 -1.84 0.00 0.00 35.03 32.04 3i1s n LYS 17 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 3i1s n VAL 18 N -2.36 1.63 1.07 -0.18 3.14 -0.78 -3.52 118.33 117.34 3i1s n VAL 18 Ca -0.08 -0.54 0.05 0.00 -2.96 0.00 0.00 64.34 60.82 3i1s n VAL 18 Cb 0.62 -1.67 0.32 0.00 -1.06 0.00 0.00 33.84 32.05 3i1s n VAL 18 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i1s n GLU 19 N -3.56 0.54 -0.01 1.45 -0.58 0.60 0.11 120.64 119.19 3i1s n GLU 19 Ca -0.39 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.45 3i1s n GLU 19 Cb 0.98 -1.31 -0.15 0.00 -0.57 0.00 0.00 31.44 30.39 3i1s n GLU 19 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3i1s n LYS 20 N -0.81 0.59 0.12 3.49 0.00 -1.25 -4.25 118.16 116.05 3i1s n LYS 20 Ca 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 58.31 58.38 3i1s n LYS 20 Cb 0.04 -1.47 0.30 0.00 0.00 0.00 0.00 35.03 33.90 3i1s n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1s h ALA 21 N 2.09 0.90 -0.70 3.14 0.00 -0.37 -3.35 119.26 120.97 3i1s h ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1s h ALA 21 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i1s h ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 3i1s n VAL 22 N -2.40 0.00 -1.08 0.00 0.31 -1.16 -1.40 118.33 112.60 3i1s n VAL 22 Ca 0.05 0.78 -0.17 0.00 -0.01 0.00 0.00 64.34 64.99 3i1s n VAL 22 Cb 0.46 -1.64 -0.14 0.00 -0.91 0.00 0.00 33.84 31.60 3i1s n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1s n GLU 23 N -1.65 2.31 0.07 5.55 4.71 -1.26 -4.04 120.64 126.33 3i1s n GLU 23 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 57.16 55.87 3i1s n GLU 23 Cb 0.00 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.29 3i1s n GLU 23 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3i1s n SER 24 N 2.59 -1.28 0.00 1.62 2.88 -1.25 -5.06 113.62 113.12 3i1s n SER 24 Ca 0.49 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 3i1s n SER 24 Cb 0.79 1.43 0.00 0.00 -0.75 0.00 0.00 64.21 65.68 3i1s n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1s n GLY 25 N -1.41 0.43 3.77 0.46 0.00 -0.49 -5.03 105.19 102.92 3i1s n GLY 25 Ca 0.00 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3i1s n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i1s s ASP 26 N -4.00 6.57 0.34 1.61 -1.08 -1.26 -4.76 116.67 114.09 3i1s s ASP 26 Ca 0.00 2.84 0.03 0.00 -0.52 0.00 0.00 52.55 54.90 3i1s s ASP 26 Cb 0.00 -2.66 -0.01 0.00 -1.46 0.00 0.00 42.92 38.79 3i1s s ASP 26 CO 0.00 -0.69 0.38 0.29 0.52 0.00 0.00 175.17 175.66 3i1s n LYS 27 N 0.62 0.54 -2.33 4.34 5.02 -1.26 -5.17 118.16 119.92 3i1s n LYS 27 Ca 0.01 -3.07 -0.26 0.00 -2.02 0.00 0.00 58.31 52.96 3i1s n LYS 27 Cb 0.41 2.71 0.05 0.00 -0.02 0.00 0.00 35.03 38.17 3i1s n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1s s LYS 28 N -3.09 2.64 -0.74 1.97 -0.14 -1.26 -4.68 119.74 114.44 3i1s s LYS 28 Ca 0.35 -0.13 -0.32 0.00 -1.36 0.00 0.00 55.97 54.51 3i1s s LYS 28 Cb 0.01 -2.24 -0.17 0.00 -1.68 0.00 0.00 37.83 33.75 3i1s s LYS 28 CO 0.25 -0.90 2.51 -2.30 -0.76 0.00 0.00 175.35 174.15 3i1s n PRO 29 N -2.70 0.38 -2.13 -1.68 -0.02 -1.26 -4.82 135.00 122.78 3i1s n PRO 29 Ca 0.06 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 3i1s n PRO 29 Cb 0.59 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3i1s n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i1s s LEU 30 N 9.25 3.40 0.21 2.45 1.02 -1.05 -4.60 118.68 129.36 3i1s s LEU 30 Ca 1.22 0.66 -0.31 0.00 0.02 0.00 0.00 54.13 55.72 3i1s s LEU 30 Cb -0.98 -3.02 -0.11 0.00 0.02 0.00 0.00 46.19 42.11 3i1s s LEU 30 CO 0.45 -1.96 1.58 0.00 0.02 0.00 0.00 176.35 176.45 3i1s s ARG 31 N 6.13 4.19 -0.09 1.70 1.70 -1.26 -1.63 118.95 129.68 3i1s s ARG 31 Ca 0.67 2.44 -0.04 0.00 -0.47 0.00 0.00 55.73 58.33 3i1s s ARG 31 Cb -0.15 -3.11 0.04 0.00 -0.57 0.00 0.00 34.95 31.16 3i1s s ARG 31 CO 0.26 -0.61 0.21 -0.08 -1.08 0.00 0.00 175.30 174.00 3i1s s THR 32 N 0.76 -0.06 -0.52 4.99 -1.32 0.15 -4.91 115.64 114.72 3i1s s THR 32 Ca 0.68 0.17 0.15 0.00 -1.21 0.00 0.00 61.69 61.49 3i1s s THR 32 Cb -0.45 -0.33 0.80 0.00 -1.51 0.00 0.00 72.50 71.01 3i1s s THR 32 CO 0.36 0.07 1.73 0.79 -2.21 0.00 0.00 174.62 175.36 3i1s n TRP 33 N 4.29 1.93 -1.10 9.09 8.01 -1.26 -2.07 117.44 136.34 3i1s n TRP 33 Ca -0.25 -0.69 -0.26 0.00 -1.31 0.00 0.00 57.50 54.99 3i1s n TRP 33 Cb 0.52 -0.44 0.10 0.00 -2.01 0.00 0.00 31.31 29.49 3i1s n TRP 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3i1s n SER 34 N 0.80 5.91 -3.53 -0.99 7.64 -1.26 -4.83 113.62 117.36 3i1s n SER 34 Ca 0.28 -3.52 -0.39 0.00 1.01 0.00 0.00 58.87 56.25 3i1s n SER 34 Cb 1.12 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 3i1s n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i1s n ARG 35 N -0.72 1.61 0.00 1.43 1.85 -1.26 -3.06 116.66 116.51 3i1s n ARG 35 Ca 0.53 -1.76 0.00 0.00 -1.00 0.00 0.00 57.85 55.63 3i1s n ARG 35 Cb 0.99 -2.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.58 3i1s n ARG 35 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1s n ARG 36 N 6.41 2.72 -2.69 2.89 0.63 -1.26 -1.97 116.66 123.40 3i1s n ARG 36 Ca 0.48 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 57.18 3i1s n ARG 36 Cb 0.34 -0.25 0.03 0.00 0.45 0.00 0.00 32.46 33.04 3i1s n ARG 36 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i1s s SER 37 N -0.09 5.49 0.43 6.15 0.15 -1.17 -4.65 113.70 120.01 3i1s s SER 37 Ca 0.00 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.78 3i1s s SER 37 Cb 0.00 -1.28 -0.07 0.00 -1.71 0.00 0.00 66.02 62.96 3i1s s SER 37 CO 0.00 -1.01 0.84 0.28 1.20 0.00 0.00 173.24 174.55 3i1s s THR 38 N -2.77 4.68 -1.04 6.45 -1.32 -1.26 -0.89 115.64 119.49 3i1s s THR 38 Ca 0.54 0.88 -0.02 0.00 -1.21 0.00 0.00 61.69 61.87 3i1s s THR 38 Cb -0.10 -3.71 0.31 0.00 -1.51 0.00 0.00 72.50 67.49 3i1s s THR 38 CO 0.40 -0.52 1.59 2.30 -2.21 0.00 0.00 174.62 176.17 3i1s n ILE 39 N -1.25 5.52 -1.58 5.08 -5.35 -1.11 -4.87 119.36 115.81 3i1s n ILE 39 Ca 0.04 -5.94 -0.29 0.00 -0.27 0.00 0.00 62.75 56.29 3i1s n ILE 39 Cb 0.54 -1.86 0.16 0.00 -1.74 0.00 0.00 39.64 36.74 3i1s n ILE 39 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3i1s s PHE 40 N -3.41 2.02 0.24 4.28 0.40 -1.24 -4.19 117.98 116.08 3i1s s PHE 40 Ca 0.35 0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 57.23 3i1s s PHE 40 Cb 0.11 -3.57 0.34 0.00 0.51 0.00 0.00 43.02 40.41 3i1s s PHE 40 CO 0.01 -2.63 1.59 -1.00 0.70 0.00 0.00 175.22 173.89 3i1s h PRO 41 N -1.67 -0.01 -0.54 0.24 0.13 -1.92 -1.52 132.00 126.72 3i1s h PRO 41 Ca -0.48 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.76 3i1s h PRO 41 Cb 1.30 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 3i1s h PRO 41 CO 0.52 -0.00 -0.08 -0.91 -0.23 0.00 0.00 178.00 177.30 3i1s h ASN 42 N -0.01 -0.39 -0.16 1.44 4.21 -1.99 -2.91 115.58 115.77 3i1s h ASN 42 Ca 0.38 0.15 -0.67 0.00 1.21 0.00 0.00 56.30 57.37 3i1s h ASN 42 Cb 0.59 0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 38.06 3i1s h ASN 42 CO -0.84 -0.14 2.71 0.23 -1.29 0.00 0.00 177.43 178.10 3i1s n MET 43 N -5.33 2.56 -4.91 0.81 2.81 -0.57 -4.92 117.12 107.57 3i1s n MET 43 Ca 0.06 -2.54 -0.26 0.00 -1.81 0.00 0.00 57.70 53.14 3i1s n MET 43 Cb 0.29 -3.27 -0.16 0.00 -0.71 0.00 0.00 33.22 29.37 3i1s n MET 43 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3i1s s ILE 44 N 4.15 1.52 0.00 2.02 2.07 -1.10 -4.63 121.20 125.23 3i1s s ILE 44 Ca 0.51 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 3i1s s ILE 44 Cb 0.12 -1.28 0.00 0.00 0.13 0.00 0.00 42.46 41.42 3i1s s ILE 44 CO -0.01 0.43 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 3i1s n GLY 45 N 2.90 0.96 3.25 1.50 0.00 -0.98 -4.95 105.19 107.87 3i1s n GLY 45 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 3i1s n GLY 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1s n LEU 46 N 0.00 -1.12 -4.65 0.99 -0.00 -1.26 -4.29 117.00 106.67 3i1s n LEU 46 Ca 0.00 -0.55 -0.40 0.00 -0.00 0.00 0.00 56.01 55.07 3i1s n LEU 46 Cb 0.00 -1.02 -0.07 0.00 -0.00 0.00 0.00 43.42 42.33 3i1s n LEU 46 CO 0.00 -3.92 0.29 0.42 -0.00 0.00 0.00 177.39 174.18 3i1s s THR 47 N -2.19 5.06 -0.23 1.47 -4.23 -1.26 -4.43 115.64 109.83 3i1s s THR 47 Ca 0.61 1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 62.13 3i1s s THR 47 Cb -0.15 -3.87 0.07 0.00 1.34 0.00 0.00 72.50 69.89 3i1s s THR 47 CO 0.56 0.12 0.00 -0.63 -0.54 0.00 0.00 174.62 174.13 3i1s s ILE 48 N 1.97 1.10 -0.76 2.99 1.01 -1.25 -2.53 121.20 123.72 3i1s s ILE 48 Ca 0.25 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.63 3i1s s ILE 48 Cb -0.16 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 40.86 3i1s s ILE 48 CO 0.09 -0.23 1.11 0.00 0.00 0.00 0.00 174.94 175.91 3i1s s ALA 49 N 1.58 3.03 0.08 9.38 0.00 -0.65 -1.42 121.76 133.76 3i1s s ALA 49 Ca -0.01 -1.95 -0.09 0.00 0.00 0.00 0.00 51.96 49.91 3i1s s ALA 49 Cb -0.18 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 3i1s s ALA 49 CO -0.09 -3.01 0.38 0.14 0.00 0.00 0.00 175.76 173.17 3i1s s VAL 50 N 4.29 5.14 0.81 0.00 -7.23 0.59 0.29 120.40 124.28 3i1s s VAL 50 Ca 0.29 0.35 -0.13 0.00 -1.81 0.00 0.00 61.98 60.69 3i1s s VAL 50 Cb -0.11 -3.63 0.08 0.00 0.56 0.00 0.00 36.38 33.28 3i1s s VAL 50 CO 0.06 0.27 1.18 -2.28 -0.31 0.00 0.00 175.10 174.02 3i1s s HIS 51 N -1.41 1.88 0.00 2.82 2.46 -0.88 0.54 115.29 120.69 3i1s s HIS 51 Ca 0.33 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.54 3i1s s HIS 51 Cb -0.14 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 28.90 3i1s s HIS 51 CO 0.18 -2.70 0.14 0.27 -2.47 0.00 0.00 174.74 170.16 3i1s n ASN 52 N -3.38 0.02 0.00 9.88 2.04 -0.61 -4.75 115.26 118.46 3i1s n ASN 52 Ca 0.13 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.26 3i1s n ASN 52 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 3i1s n ASN 52 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i1s n GLY 53 N -0.00 1.25 0.00 4.83 0.00 -1.26 -4.17 105.19 105.84 3i1s n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1s n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1s n ARG 54 N 0.00 0.00 -0.13 1.61 0.00 -1.26 -5.15 116.66 111.73 3i1s n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1s n ARG 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 3i1s n ARG 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i1s n GLN 55 N -0.78 2.02 -3.71 2.89 0.00 -1.26 -5.15 117.38 111.40 3i1s n GLN 55 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.73 3i1s n GLN 55 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.07 3i1s n GLN 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3i1s s HIS 56 N -0.05 0.78 -0.16 3.69 3.76 -1.26 -1.57 115.29 120.48 3i1s s HIS 56 Ca 0.00 -0.65 -0.13 0.00 -0.15 0.00 0.00 55.06 54.13 3i1s s HIS 56 Cb 0.00 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 3i1s s HIS 56 CO 0.00 -0.56 0.26 0.14 -0.85 0.00 0.00 174.74 173.73 3i1s s VAL 57 N 1.94 5.32 -1.20 -0.90 -7.23 0.19 -4.59 120.40 113.94 3i1s s VAL 57 Ca 0.00 0.48 -0.20 0.00 -1.81 0.00 0.00 61.98 60.46 3i1s s VAL 57 Cb -0.16 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 3i1s s VAL 57 CO -0.08 0.41 1.90 -0.81 -0.31 0.00 0.00 175.10 176.21 3i1s n PRO 58 N 3.50 2.30 -2.26 4.82 -0.04 -1.25 -0.30 135.00 141.78 3i1s n PRO 58 Ca -0.13 -2.67 -0.42 0.00 -0.04 0.00 0.00 63.50 60.24 3i1s n PRO 58 Cb 0.52 -3.47 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 3i1s n PRO 58 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i1s s VAL 59 N 6.71 3.50 0.63 0.52 -7.23 -0.51 -4.68 120.40 119.34 3i1s s VAL 59 Ca 0.59 1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 61.78 3i1s s VAL 59 Cb 0.05 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 3i1s s VAL 59 CO 0.08 0.11 1.00 0.12 -0.31 0.00 0.00 175.10 176.11 3i1s s PHE 60 N 0.85 3.47 -0.18 2.82 5.36 -1.26 -3.83 117.98 125.21 3i1s s PHE 60 Ca 0.61 1.07 -0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3i1s s PHE 60 Cb -0.34 -2.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 3i1s s PHE 60 CO 0.32 -0.82 -0.06 0.08 -1.46 0.00 0.00 175.22 173.28 3i1s s VAL 61 N -3.16 1.23 0.13 3.12 1.01 -1.26 -4.99 120.40 116.48 3i1s s VAL 61 Ca 0.55 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3i1s s VAL 61 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3i1s s VAL 61 CO 0.51 0.12 0.16 -0.89 0.00 0.00 0.00 175.10 175.01 3i1s s THR 62 N 1.58 4.78 -0.73 3.92 2.01 -1.26 -2.31 115.64 123.63 3i1s s THR 62 Ca 0.00 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.22 3i1s s THR 62 Cb -0.16 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 69.01 3i1s s THR 62 CO -0.08 -0.02 1.17 -0.67 -0.69 0.00 0.00 174.62 174.33 3i1s n ASP 63 N -0.13 0.16 0.17 3.53 4.64 -1.26 -0.81 116.55 122.85 3i1s n ASP 63 Ca -0.08 0.56 0.05 0.00 -1.38 0.00 0.00 54.79 53.94 3i1s n ASP 63 Cb 0.53 -0.58 0.19 0.00 -1.04 0.00 0.00 41.12 40.23 3i1s n ASP 63 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3i1s h GLU 64 N 0.00 0.00 -5.04 -0.67 5.08 -2.00 -3.42 114.58 108.52 3i1s h GLU 64 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3i1s h GLU 64 Cb 0.04 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.09 3i1s h GLU 64 CO 0.00 0.40 -0.61 0.00 -1.00 0.00 0.00 179.01 177.80 3i1s s MET 65 N -3.26 3.74 0.00 2.33 0.23 0.01 -4.99 119.30 117.36 3i1s s MET 65 Ca 0.02 -0.45 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 3i1s s MET 65 Cb 0.09 -3.28 0.00 0.00 -1.53 0.00 0.00 34.83 30.11 3i1s s MET 65 CO 0.71 -0.06 0.00 0.28 -2.03 0.00 0.00 175.02 173.92 3i1s n VAL 66 N 4.53 0.00 -0.69 5.16 0.31 -1.26 -4.73 118.33 121.65 3i1s n VAL 66 Ca -0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 3i1s n VAL 66 Cb 0.52 -0.37 0.01 0.00 -0.91 0.00 0.00 33.84 33.09 3i1s n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1s n GLY 67 N 3.70 3.17 3.28 2.92 0.00 -1.26 -2.87 105.19 114.12 3i1s n GLY 67 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3i1s n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1s s HIS 68 N -0.69 2.84 1.35 1.61 4.02 -1.26 -4.75 115.29 118.40 3i1s s HIS 68 Ca 0.15 -1.03 -0.20 0.00 1.02 0.00 0.00 55.06 55.01 3i1s s HIS 68 Cb 0.11 -1.94 0.34 0.00 -1.02 0.00 0.00 32.58 30.07 3i1s s HIS 68 CO -0.01 -0.49 0.96 0.15 1.02 0.00 0.00 174.74 176.37 3i1s s LYS 69 N 0.98 -2.39 0.05 1.40 -0.14 -1.26 -2.73 119.74 115.66 3i1s s LYS 69 Ca -0.02 0.30 -0.18 0.00 -1.36 0.00 0.00 55.97 54.71 3i1s s LYS 69 Cb -0.15 -1.43 -0.14 0.00 -1.68 0.00 0.00 37.83 34.43 3i1s s LYS 69 CO -0.02 -4.56 1.32 -0.07 -0.76 0.00 0.00 175.35 171.26 3i1s h LEU 70 N -3.20 0.55 0.00 3.17 3.38 -1.25 -2.53 115.31 115.42 3i1s h LEU 70 Ca -0.49 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 56.94 3i1s h LEU 70 Cb 1.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i1s h LEU 70 CO 0.35 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.47 3i1s n GLY 71 N 0.38 -0.09 0.02 0.83 0.00 -0.83 -2.81 105.19 102.69 3i1s n GLY 71 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i1s n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i1s h GLU 72 N 0.00 -0.03 0.00 1.61 4.22 -1.74 -3.31 114.58 115.33 3i1s h GLU 72 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3i1s h GLU 72 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3i1s h GLU 72 CO 0.00 -0.02 0.00 1.19 -2.18 0.00 0.00 179.01 178.00 3i1s n PHE 73 N -2.69 0.00 -3.55 0.92 3.01 -1.12 -4.60 117.46 109.42 3i1s n PHE 73 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3i1s n PHE 73 Cb 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 3i1s n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1s s ALA 74 N -2.00 3.39 -0.49 4.37 0.00 -1.18 -4.93 121.76 120.91 3i1s s ALA 74 Ca 0.03 -1.59 -0.26 0.00 0.00 0.00 0.00 51.96 50.14 3i1s s ALA 74 Cb 0.02 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 3i1s s ALA 74 CO 0.03 -1.23 2.28 -2.14 0.00 0.00 0.00 175.76 174.70 3i1s s PRO 75 N 1.64 2.28 -0.01 0.00 0.02 -1.26 -4.86 135.00 132.81 3i1s s PRO 75 Ca 0.04 1.30 -0.19 0.00 0.02 0.00 0.00 61.00 62.17 3i1s s PRO 75 Cb -0.18 -4.53 -0.10 0.00 0.02 0.00 0.00 34.50 29.70 3i1s s PRO 75 CO 0.08 -3.08 0.81 1.79 -0.33 0.00 0.00 177.00 176.27 3i1s h THR 76 N 7.49 0.00 -3.31 0.99 1.35 -1.90 -3.43 112.91 114.11 3i1s h THR 76 Ca -0.26 -0.43 -0.66 0.00 -0.55 0.00 0.00 66.41 64.51 3i1s h THR 76 Cb 1.24 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.50 3i1s h THR 76 CO 1.16 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 175.80 3i1s s ARG 77 N -3.77 3.27 0.00 4.72 1.70 -1.26 -4.48 118.95 119.13 3i1s s ARG 77 Ca -0.10 -0.42 0.07 0.00 -0.47 0.00 0.00 55.73 54.82 3i1s s ARG 77 Cb 0.01 -2.88 -0.03 0.00 -0.57 0.00 0.00 34.95 31.48 3i1s s ARG 77 CO 0.29 0.55 -0.23 0.95 -1.08 0.00 0.00 175.30 175.78 3i1s s THR 78 N -0.44 2.39 0.11 4.99 -4.23 -1.26 -5.14 115.64 112.05 3i1s s THR 78 Ca 0.08 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3i1s s THR 78 Cb -0.12 -1.91 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 3i1s s THR 78 CO 0.02 0.49 0.13 0.00 -0.54 0.00 0.00 174.62 174.72 3i1s n TYR 79 N 2.10 -0.58 0.00 3.99 0.18 -1.26 -5.28 117.16 116.30 3i1s n TYR 79 Ca -0.16 -0.76 0.00 0.00 1.88 0.00 0.00 57.90 58.85 3i1s n TYR 79 Cb 0.52 0.14 0.00 0.00 -0.38 0.00 0.00 39.34 39.62 3i1s n TYR 79 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32