#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2k s SER 2 N 0.00 -0.62 -0.26 1.61 1.04 -1.26 -5.15 113.70 109.06 1x2k s SER 2 Ca 0.00 1.06 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 1x2k s SER 2 Cb 0.00 1.19 -0.04 0.00 0.10 0.00 0.00 66.02 67.27 1x2k s SER 2 CO 0.00 -0.17 0.14 -0.44 0.98 0.00 0.00 173.24 173.75 1x2k s SER 3 N 1.00 5.72 0.00 7.02 0.01 -1.26 -4.98 113.70 121.22 1x2k s SER 3 Ca -0.05 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1x2k s SER 3 Cb -0.04 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1x2k s SER 3 CO -0.12 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1x2k n GLY 4 N 4.87 1.95 3.64 3.44 0.00 -1.26 -5.11 105.19 112.73 1x2k n GLY 4 Ca -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 43.83 1x2k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2k s SER 5 N 0.00 -0.32 1.01 1.61 0.15 -1.26 -5.16 113.70 109.73 1x2k s SER 5 Ca 0.00 0.54 -0.19 0.00 0.70 0.00 0.00 55.95 57.01 1x2k s SER 5 Cb 0.00 0.91 -0.08 0.00 -1.71 0.00 0.00 66.02 65.15 1x2k s SER 5 CO 0.00 -0.09 -0.55 -1.54 1.20 0.00 0.00 173.24 172.26 1x2k n SER 6 N 2.89 -3.86 -3.72 5.45 3.41 -1.26 -5.02 113.62 111.52 1x2k n SER 6 Ca -0.16 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.47 1x2k n SER 6 Cb 0.57 -0.84 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 1x2k n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x2k s GLY 7 N -1.38 -0.29 0.46 5.00 0.00 -1.26 -4.82 107.32 105.03 1x2k s GLY 7 Ca 0.46 1.31 -0.13 0.00 0.00 0.00 0.00 44.72 46.36 1x2k s GLY 7 CO 0.73 1.38 0.87 0.54 0.00 0.00 0.00 173.10 176.62 1x2k s LYS 8 N 1.00 3.84 -0.36 2.90 3.01 -1.18 -4.92 119.74 124.04 1x2k s LYS 8 Ca -0.06 0.68 -0.02 0.00 -1.01 0.00 0.00 55.97 55.56 1x2k s LYS 8 Cb -0.07 -2.27 0.08 0.00 -1.01 0.00 0.00 37.83 34.56 1x2k s LYS 8 CO -0.08 -0.15 0.11 0.08 0.51 0.00 0.00 175.35 175.81 1x2k s VAL 9 N -2.51 3.09 -0.07 3.17 1.01 -1.26 -2.20 120.40 121.63 1x2k s VAL 9 Ca 0.55 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1x2k s VAL 9 Cb -0.10 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1x2k s VAL 9 CO 0.32 -0.44 0.07 -0.36 0.00 0.00 0.00 175.10 174.69 1x2k s PHE 10 N 1.17 3.34 -0.04 5.22 0.40 -0.58 -3.42 117.98 124.06 1x2k s PHE 10 Ca 0.03 0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.66 1x2k s PHE 10 Cb -0.21 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 1x2k s PHE 10 CO -0.03 0.58 0.02 0.50 0.70 0.00 0.00 175.22 176.98 1x2k s ARG 11 N -1.18 2.93 -0.56 0.44 3.52 -1.23 -1.11 118.95 121.77 1x2k s ARG 11 Ca 0.17 -0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 54.99 1x2k s ARG 11 Cb -0.12 -2.76 0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1x2k s ARG 11 CO 0.06 0.67 1.23 0.00 -0.81 0.00 0.00 175.30 176.45 1x2k s ALA 12 N -1.01 2.99 0.51 6.12 0.00 -1.12 -3.15 121.76 126.09 1x2k s ALA 12 Ca 0.17 -0.73 0.16 0.00 0.00 0.00 0.00 51.96 51.56 1x2k s ALA 12 Cb -0.12 -4.03 1.23 0.00 0.00 0.00 0.00 23.12 20.20 1x2k s ALA 12 CO 0.07 -2.65 2.13 -0.07 0.00 0.00 0.00 175.76 175.24 1x2k h LEU 13 N 12.05 0.00 -7.67 0.00 3.38 -1.57 -0.66 115.31 120.85 1x2k h LEU 13 Ca -0.25 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1x2k h LEU 13 Cb 1.06 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 1x2k h LEU 13 CO 1.17 0.03 0.02 -0.31 0.09 0.00 0.00 178.44 179.45 1x2k s TYR 14 N -5.01 -0.11 0.10 1.13 1.51 -1.26 -4.74 117.35 108.96 1x2k s TYR 14 Ca -0.05 -0.23 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1x2k s TYR 14 Cb 0.17 0.38 -0.08 0.00 -0.11 0.00 0.00 41.96 42.32 1x2k s TYR 14 CO 0.67 -0.91 1.56 0.99 -1.11 0.00 0.00 175.55 176.75 1x2k s THR 15 N -3.87 3.04 -0.09 -0.71 2.01 -1.26 -4.25 115.64 110.50 1x2k s THR 15 Ca 0.09 0.61 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 1x2k s THR 15 Cb -0.01 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1x2k s THR 15 CO -0.03 0.02 0.03 0.12 -0.69 0.00 0.00 174.62 174.07 1x2k s PHE 16 N 1.95 3.25 -0.53 4.92 5.36 -0.90 -4.93 117.98 127.09 1x2k s PHE 16 Ca 0.70 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.90 1x2k s PHE 16 Cb -0.39 -1.82 0.14 0.00 -0.34 0.00 0.00 43.02 40.61 1x2k s PHE 16 CO 0.31 0.52 0.34 -1.21 -1.46 0.00 0.00 175.22 173.73 1x2k s GLU 17 N -0.92 2.33 -0.24 10.12 0.41 -1.26 -3.88 118.70 125.27 1x2k s GLU 17 Ca 0.14 -2.23 -0.29 0.00 -0.41 0.00 0.00 54.97 52.18 1x2k s GLU 17 Cb -0.11 -3.67 -0.02 0.00 -1.78 0.00 0.00 34.13 28.54 1x2k s GLU 17 CO 0.03 -1.13 1.62 -1.25 -0.49 0.00 0.00 175.26 174.04 1x2k s PRO 18 N 0.45 3.74 0.29 0.39 0.04 -1.26 -4.88 135.00 133.76 1x2k s PRO 18 Ca 0.13 1.61 0.15 0.00 0.04 0.00 0.00 61.00 62.93 1x2k s PRO 18 Cb -0.21 -4.05 0.12 0.00 0.04 0.00 0.00 34.50 30.39 1x2k s PRO 18 CO -0.04 -1.36 1.47 0.00 0.04 0.00 0.00 177.00 177.11 1x2k h ARG 19 N 10.94 0.00 -5.86 4.56 -0.00 -1.97 -3.45 114.38 118.60 1x2k h ARG 19 Ca -0.33 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.52 1x2k h ARG 19 Cb 1.15 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.08 1x2k h ARG 19 CO 1.01 0.50 -0.49 0.95 0.00 0.00 0.00 179.97 181.94 1x2k s THR 20 N -3.01 5.41 -1.28 2.04 -4.23 -1.26 -4.98 115.64 108.32 1x2k s THR 20 Ca 0.04 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.46 1x2k s THR 20 Cb 0.08 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.55 1x2k s THR 20 CO 0.74 0.25 1.42 -0.81 -0.54 0.00 0.00 174.62 175.68 1x2k n PRO 21 N 0.68 0.14 0.06 3.99 -0.04 -1.26 -2.16 135.00 136.41 1x2k n PRO 21 Ca -0.08 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1x2k n PRO 21 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1x2k n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x2k n ASP 22 N -1.36 0.84 -4.87 3.54 -0.08 -1.26 -4.92 116.55 108.43 1x2k n ASP 22 Ca 0.06 0.35 -0.31 0.00 -1.51 0.00 0.00 54.79 53.38 1x2k n ASP 22 Cb 0.13 0.33 0.02 0.00 2.34 0.00 0.00 41.12 43.94 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1x2k s GLU 23 N -3.14 3.40 -0.17 -0.67 2.02 -0.92 -0.14 118.70 119.08 1x2k s GLU 23 Ca -0.02 0.66 -0.04 0.00 0.02 0.00 0.00 54.97 55.59 1x2k s GLU 23 Cb 0.09 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 1x2k s GLU 23 CO 0.80 -0.69 -0.02 -1.17 0.02 0.00 0.00 175.26 174.20 1x2k s LEU 24 N -5.22 3.25 -0.08 1.80 2.96 0.12 -4.55 118.68 116.96 1x2k s LEU 24 Ca 0.56 -0.16 -0.25 0.00 -0.22 0.00 0.00 54.13 54.06 1x2k s LEU 24 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1x2k s LEU 24 CO 0.53 0.12 0.77 -0.47 -1.32 0.00 0.00 176.35 175.98 1x2k s TYR 25 N 0.64 3.55 0.12 5.38 5.04 -1.26 -4.73 117.35 126.10 1x2k s TYR 25 Ca -0.02 1.31 -0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1x2k s TYR 25 Cb -0.14 -2.89 -0.04 0.00 0.35 0.00 0.00 41.96 39.23 1x2k s TYR 25 CO 0.02 0.00 0.02 -0.59 -1.34 0.00 0.00 175.55 173.67 1x2k s PHE 26 N 1.12 0.86 0.29 4.97 -0.71 -1.25 -4.94 117.98 118.33 1x2k s PHE 26 Ca 0.40 -1.14 0.10 0.00 -1.04 0.00 0.00 56.93 55.24 1x2k s PHE 26 Cb -0.18 -0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 41.08 1x2k s PHE 26 CO 0.18 -0.41 -0.04 -1.21 -1.34 0.00 0.00 175.22 172.40 1x2k s GLU 27 N -3.99 2.12 -0.09 1.99 2.02 -1.26 -2.13 118.70 117.37 1x2k s GLU 27 Ca 0.20 -1.57 -0.36 0.00 0.02 0.00 0.00 54.97 53.26 1x2k s GLU 27 Cb 0.07 -2.03 -0.13 0.00 0.10 0.00 0.00 34.13 32.14 1x2k s GLU 27 CO -0.00 0.30 1.77 -1.91 0.02 0.00 0.00 175.26 175.43 1x2k n GLU 28 N -0.86 1.85 -1.50 1.61 2.13 -1.26 -2.75 120.64 119.87 1x2k n GLU 28 Ca -0.05 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1x2k n GLU 28 Cb 0.60 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1x2k n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x2k n GLY 29 N 4.08 0.54 3.00 8.31 0.00 -0.25 -4.95 105.19 115.92 1x2k n GLY 29 Ca 0.22 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1x2k n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x2k s ASP 30 N -2.61 2.04 0.35 1.61 1.01 -1.11 -4.93 116.67 113.02 1x2k s ASP 30 Ca 0.00 -0.33 -0.28 0.00 0.71 0.00 0.00 52.55 52.65 1x2k s ASP 30 Cb 0.00 -0.89 -0.10 0.00 1.01 0.00 0.00 42.92 42.94 1x2k s ASP 30 CO 0.00 -0.01 1.36 -0.63 0.21 0.00 0.00 175.17 176.09 1x2k s ILE 31 N 1.02 2.52 0.01 0.77 -1.09 -1.26 -2.80 121.20 120.37 1x2k s ILE 31 Ca -0.07 0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 1x2k s ILE 31 Cb -0.15 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1x2k s ILE 31 CO -0.01 0.12 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.16 1x2k s ILE 32 N -1.15 0.23 -0.29 2.92 1.01 -0.26 -4.53 121.20 119.13 1x2k s ILE 32 Ca 0.51 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.57 1x2k s ILE 32 Cb -0.41 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1x2k s ILE 32 CO 0.55 -0.21 0.02 -0.31 0.00 0.00 0.00 174.94 175.00 1x2k s TYR 33 N -0.76 3.15 -0.50 3.97 1.51 -0.68 -1.52 117.35 122.52 1x2k s TYR 33 Ca -0.07 -1.37 -0.09 0.00 -1.01 0.00 0.00 57.07 54.53 1x2k s TYR 33 Cb -0.06 -2.17 0.13 0.00 -0.11 0.00 0.00 41.96 39.75 1x2k s TYR 33 CO -0.00 -0.68 0.38 0.42 -1.11 0.00 0.00 175.55 174.55 1x2k s ILE 34 N 1.39 4.30 -0.19 2.71 -1.09 -0.94 -1.33 121.20 126.06 1x2k s ILE 34 Ca -0.00 -1.86 0.15 0.00 -2.23 0.00 0.00 60.65 56.70 1x2k s ILE 34 Cb -0.18 -3.82 -0.24 0.00 -1.58 0.00 0.00 42.46 36.64 1x2k s ILE 34 CO -0.00 -0.80 0.11 0.35 -1.23 0.00 0.00 174.94 173.37 1x2k n THR 35 N 4.81 1.44 -3.73 2.92 -2.24 -1.22 -3.10 114.28 113.16 1x2k n THR 35 Ca -0.06 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.53 1x2k n THR 35 Cb 0.41 -0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1x2k n THR 35 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x2k s ASP 36 N -5.74 5.24 -0.26 3.42 1.11 -1.20 -4.95 116.67 114.29 1x2k s ASP 36 Ca -0.13 -0.73 0.09 0.00 0.18 0.00 0.00 52.55 51.96 1x2k s ASP 36 Cb 0.07 -1.91 0.45 0.00 1.07 0.00 0.00 42.92 42.60 1x2k s ASP 36 CO 0.80 -0.21 1.28 0.23 1.18 0.00 0.00 175.17 178.45 1x2k n MET 37 N 4.89 2.27 -0.26 8.23 2.81 -1.26 -2.53 117.12 131.26 1x2k n MET 37 Ca -0.14 -3.54 0.07 0.00 -1.81 0.00 0.00 57.70 52.28 1x2k n MET 37 Cb 0.48 -1.87 0.20 0.00 -0.71 0.00 0.00 33.22 31.31 1x2k n MET 37 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1x2k h SER 38 N 1.38 0.01 -1.66 7.83 4.64 -1.92 -3.41 113.55 120.40 1x2k h SER 38 Ca 0.17 0.16 -0.50 0.00 -0.47 0.00 0.00 61.79 61.15 1x2k h SER 38 Cb 1.28 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 1x2k h SER 38 CO 0.35 -0.06 -0.42 -1.81 -0.87 0.00 0.00 176.83 174.02 1x2k s ASP 39 N -5.22 5.08 -0.17 4.97 1.11 -1.26 -5.06 116.67 116.12 1x2k s ASP 39 Ca -0.13 -0.67 0.05 0.00 0.18 0.00 0.00 52.55 51.98 1x2k s ASP 39 Cb 0.22 -0.72 -0.14 0.00 1.07 0.00 0.00 42.92 43.35 1x2k s ASP 39 CO 0.76 -0.52 -0.10 1.07 1.18 0.00 0.00 175.17 177.56 1x2k n THR 40 N -1.44 1.05 0.03 -1.27 5.66 -1.26 -4.58 114.28 112.47 1x2k n THR 40 Ca 0.01 -0.47 -0.15 0.00 -3.05 0.00 0.00 64.05 60.38 1x2k n THR 40 Cb 0.61 -1.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.34 1x2k n THR 40 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1x2k h ASN 41 N 0.00 0.74 -3.24 1.09 2.35 -1.97 -3.41 115.58 111.14 1x2k h ASN 41 Ca -0.41 -0.53 -0.59 0.00 -0.55 0.00 0.00 56.30 54.22 1x2k h ASN 41 Cb 1.72 -0.22 -0.37 0.00 0.05 0.00 0.00 38.32 39.51 1x2k h ASN 41 CO -0.04 1.32 -0.82 0.26 -1.65 0.00 0.00 177.43 176.50 1x2k s TRP 42 N -3.52 2.07 0.24 1.19 0.52 -1.26 -3.85 118.94 114.33 1x2k s TRP 42 Ca -0.08 -1.23 0.06 0.00 0.02 0.00 0.00 56.10 54.87 1x2k s TRP 42 Cb 0.09 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1x2k s TRP 42 CO 0.89 -0.66 0.24 -1.58 0.02 0.00 0.00 176.95 175.86 1x2k s TRP 43 N 1.51 3.22 -0.23 -1.98 0.51 -0.48 -4.17 118.94 117.33 1x2k s TRP 43 Ca 0.03 -0.07 -0.00 0.00 -2.12 0.00 0.00 56.10 53.93 1x2k s TRP 43 Cb -0.14 -1.46 0.03 0.00 -0.81 0.00 0.00 33.47 31.09 1x2k s TRP 43 CO -0.09 0.50 -0.10 0.21 -0.51 0.00 0.00 176.95 176.96 1x2k s LYS 44 N -3.83 2.80 0.27 4.98 2.20 -1.05 0.45 119.74 125.55 1x2k s LYS 44 Ca 0.33 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.85 1x2k s LYS 44 Cb -0.08 -2.89 -0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1x2k s LYS 44 CO 0.26 -0.38 0.46 0.20 -0.36 0.00 0.00 175.35 175.54 1x2k s GLY 45 N 1.29 0.77 -0.07 5.54 0.00 -1.06 -3.26 107.32 110.52 1x2k s GLY 45 Ca -0.00 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1x2k s GLY 45 CO -0.06 -0.74 -0.18 -1.59 0.00 0.00 0.00 173.10 170.52 1x2k s THR 46 N -3.79 1.61 0.00 0.90 2.01 -0.44 -2.61 115.64 113.31 1x2k s THR 46 Ca 0.25 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1x2k s THR 46 Cb -0.00 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1x2k s THR 46 CO 0.11 0.46 0.00 -0.24 -0.69 0.00 0.00 174.62 174.26 1x2k n SER 47 N 3.53 0.00 -4.32 3.53 2.88 -1.21 -1.68 113.62 116.35 1x2k n SER 47 Ca -0.20 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.88 1x2k n SER 47 Cb 0.52 -0.03 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1x2k n SER 47 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x2k s LYS 48 N -0.34 3.08 -0.70 -1.46 1.02 -1.26 -4.68 119.74 115.39 1x2k s LYS 48 Ca 0.00 -1.76 -0.07 0.00 0.02 0.00 0.00 55.97 54.16 1x2k s LYS 48 Cb 0.00 -4.32 0.07 0.00 -0.52 0.00 0.00 37.83 33.06 1x2k s LYS 48 CO 0.00 -1.36 0.18 0.41 -0.92 0.00 0.00 175.35 173.66 1x2k n GLY 49 N 5.09 -0.13 3.38 -3.33 0.00 -1.26 -4.79 105.19 104.15 1x2k n GLY 49 Ca -0.09 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1x2k n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x2k s ARG 50 N -3.74 1.24 -0.22 1.61 0.52 -1.26 -5.15 118.95 111.94 1x2k s ARG 50 Ca 0.25 -1.18 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1x2k s ARG 50 Cb -0.15 0.40 0.10 0.00 0.52 0.00 0.00 34.95 35.82 1x2k s ARG 50 CO 0.40 -0.47 0.20 0.99 0.02 0.00 0.00 175.30 176.44 1x2k s THR 51 N -3.98 -0.27 0.13 0.02 2.01 -1.26 -3.35 115.64 108.94 1x2k s THR 51 Ca 0.18 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1x2k s THR 51 Cb 0.03 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1x2k s THR 51 CO 0.02 -0.33 0.19 0.61 -0.69 0.00 0.00 174.62 174.42 1x2k n GLY 52 N 5.30 2.65 3.79 4.40 0.00 -1.07 -4.98 105.19 115.28 1x2k n GLY 52 Ca -0.05 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1x2k n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2k s LEU 53 N 0.00 3.90 -0.01 0.99 1.43 0.81 -2.55 118.68 123.25 1x2k s LEU 53 Ca 0.10 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1x2k s LEU 53 Cb -0.01 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.74 1x2k s LEU 53 CO 0.07 -0.74 0.01 -0.63 0.23 0.00 0.00 176.35 175.29 1x2k s ILE 54 N -1.91 0.00 -0.05 -0.59 1.01 0.17 0.11 121.20 119.94 1x2k s ILE 54 Ca 0.66 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1x2k s ILE 54 Cb -0.18 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 1x2k s ILE 54 CO 0.22 0.05 1.50 -2.16 0.00 0.00 0.00 174.94 174.54 1x2k s PRO 55 N 0.44 4.22 0.00 2.79 0.04 -1.26 -1.38 135.00 139.86 1x2k s PRO 55 Ca -0.04 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.18 1x2k s PRO 55 Cb -0.06 -3.79 0.93 0.00 0.04 0.00 0.00 34.50 31.62 1x2k s PRO 55 CO -0.01 -0.73 1.37 -1.13 0.04 0.00 0.00 177.00 176.54 1x2k n SER 56 N 6.40 0.00 -0.04 6.66 3.41 -1.25 -2.60 113.62 126.21 1x2k n SER 56 Ca 0.15 -0.80 -0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1x2k n SER 56 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 1x2k n SER 56 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x2k n ASN 57 N -0.88 1.36 0.09 4.04 3.02 -1.26 -4.38 115.26 117.25 1x2k n ASN 57 Ca 0.12 0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 1x2k n ASN 57 Cb 0.05 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 38.82 1x2k n ASN 57 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 1x2k h TYR 58 N 0.03 0.80 -2.83 3.10 -1.99 -1.89 -3.46 116.97 110.73 1x2k h TYR 58 Ca -0.41 -0.55 -0.49 0.00 2.00 0.00 0.00 58.73 59.28 1x2k h TYR 58 Cb 2.04 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 40.72 1x2k h TYR 58 CO 0.03 1.42 -0.23 0.14 -0.00 0.00 0.00 178.16 179.52 1x2k s VAL 59 N -2.69 5.12 0.02 -2.88 -7.23 -1.17 -1.35 120.40 110.23 1x2k s VAL 59 Ca -0.11 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.51 1x2k s VAL 59 Cb 0.03 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.18 1x2k s VAL 59 CO 0.89 -0.43 0.32 0.00 -0.31 0.00 0.00 175.10 175.58 1x2k s ALA 60 N -2.16 -0.78 -0.10 1.32 0.00 -1.19 -4.77 121.76 114.08 1x2k s ALA 60 Ca 0.40 0.20 -0.35 0.00 0.00 0.00 0.00 51.96 52.21 1x2k s ALA 60 Cb -0.10 0.21 -0.13 0.00 0.00 0.00 0.00 23.12 23.10 1x2k s ALA 60 CO 0.33 -0.35 1.83 -1.91 0.00 0.00 0.00 175.76 175.67 1x2k n GLU 61 N 0.88 2.01 -2.22 0.00 2.13 -1.26 -3.47 120.64 118.71 1x2k n GLU 61 Ca -0.20 0.74 -0.32 0.00 0.66 0.00 0.00 57.16 58.04 1x2k n GLU 61 Cb 0.58 -2.55 -0.04 0.00 0.27 0.00 0.00 31.44 29.70 1x2k n GLU 61 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1x2k s GLN 62 N 3.73 2.91 0.20 5.31 -1.52 -1.22 -4.80 119.66 124.27 1x2k s GLN 62 Ca 0.93 -0.96 -0.12 0.00 -1.95 0.00 0.00 55.36 53.26 1x2k s GLN 62 Cb -0.75 -5.24 0.25 0.00 -0.22 0.00 0.00 33.01 27.05 1x2k s GLN 62 CO 0.53 -3.22 1.69 0.77 -0.25 0.00 0.00 175.29 174.80 1x2k h SER 63 N 10.00 -0.13 0.00 5.90 0.02 -1.92 -3.48 113.55 123.94 1x2k h SER 63 Ca 0.20 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1x2k h SER 63 Cb 0.96 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1x2k h SER 63 CO 1.29 -0.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.54 1x2k n GLY 64 N -1.32 -0.97 3.60 -3.77 0.00 -1.26 -5.17 105.19 96.30 1x2k n GLY 64 Ca 0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1x2k n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2k s PRO 65 N -0.55 -1.02 -0.51 1.61 0.04 -1.26 -5.04 135.00 128.27 1x2k s PRO 65 Ca 0.00 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.08 1x2k s PRO 65 Cb 0.00 -1.61 0.15 0.00 0.04 0.00 0.00 34.50 33.08 1x2k s PRO 65 CO 0.00 -3.59 0.34 -1.12 0.04 0.00 0.00 177.00 172.67 1x2k s SER 66 N -3.83 3.45 -1.77 6.66 0.01 -1.26 -4.88 113.70 112.08 1x2k s SER 66 Ca 0.70 -3.12 -0.17 0.00 1.31 0.00 0.00 55.95 54.67 1x2k s SER 66 Cb -0.11 -1.07 0.17 0.00 0.21 0.00 0.00 66.02 65.22 1x2k s SER 66 CO 0.56 -0.19 0.51 -0.24 0.41 0.00 0.00 173.24 174.29 1x2k n SER 67 N 2.88 -1.47 0.00 2.44 2.88 -1.26 -5.35 113.62 113.74 1x2k n SER 67 Ca 0.17 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 1x2k n SER 67 Cb 0.38 -1.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42