#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 6.43 0.09 1.61 1.04 -1.26 -4.99 113.70 116.63 1x2k s SER 2 Ca 0.00 2.72 0.09 0.00 0.48 0.00 0.00 55.95 59.25 1x2k s SER 2 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1x2k s SER 2 CO 0.00 -1.03 -0.23 -0.44 0.98 0.00 0.00 173.24 172.52 1x2k s SER 3 N 3.47 3.52 -0.51 7.02 0.01 -1.26 -5.09 113.70 120.86 1x2k s SER 3 Ca 0.84 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 57.56 1x2k s SER 3 Cb -0.45 -0.39 0.20 0.00 0.21 0.00 0.00 66.02 65.59 1x2k s SER 3 CO 0.39 0.21 0.75 0.61 0.41 0.00 0.00 173.24 175.61 1x2k n GLY 4 N 1.17 -0.50 3.54 3.44 0.00 -1.26 -5.10 105.19 106.48 1x2k n GLY 4 Ca -0.17 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1x2k n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2k n SER 5 N 2.76 1.93 -4.22 1.61 7.64 -1.26 -4.91 113.62 117.18 1x2k n SER 5 Ca 0.17 -0.27 -0.35 0.00 1.01 0.00 0.00 58.87 59.43 1x2k n SER 5 Cb 0.57 -1.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.20 1x2k n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x2k s SER 6 N 11.04 4.31 -0.17 6.43 1.04 -1.26 -5.08 113.70 130.01 1x2k s SER 6 Ca 1.07 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 56.62 1x2k s SER 6 Cb -0.46 -1.68 0.06 0.00 0.10 0.00 0.00 66.02 64.05 1x2k s SER 6 CO 0.33 -0.11 0.39 -0.83 0.98 0.00 0.00 173.24 173.99 1x2k s GLY 7 N 1.35 -0.30 0.32 7.32 0.00 -1.26 -4.80 107.32 109.94 1x2k s GLY 7 Ca 0.01 1.45 -0.13 0.00 0.00 0.00 0.00 44.72 46.04 1x2k s GLY 7 CO -0.04 1.80 0.71 0.54 0.00 0.00 0.00 173.10 176.11 1x2k s LYS 8 N 1.68 3.93 -0.27 2.90 1.02 -0.78 -4.91 119.74 123.31 1x2k s LYS 8 Ca -0.07 0.57 -0.06 0.00 0.02 0.00 0.00 55.97 56.42 1x2k s LYS 8 Cb -0.09 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1x2k s LYS 8 CO -0.12 0.15 0.05 0.08 -0.92 0.00 0.00 175.35 174.59 1x2k s VAL 9 N -2.02 3.83 0.02 3.17 1.01 -1.26 -0.70 120.40 124.45 1x2k s VAL 9 Ca 0.52 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1x2k s VAL 9 Cb -0.10 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1x2k s VAL 9 CO 0.20 0.18 -0.16 -0.36 0.00 0.00 0.00 175.10 174.96 1x2k s PHE 10 N 1.50 2.63 -0.07 5.22 0.40 0.16 -2.93 117.98 124.89 1x2k s PHE 10 Ca 0.03 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1x2k s PHE 10 Cb -0.16 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1x2k s PHE 10 CO 0.01 0.25 -0.07 0.50 0.70 0.00 0.00 175.22 176.61 1x2k s ARG 11 N -1.30 2.73 -0.61 0.44 3.52 -1.24 0.32 118.95 122.80 1x2k s ARG 11 Ca 0.14 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 54.91 1x2k s ARG 11 Cb -0.11 -2.58 0.02 0.00 -1.56 0.00 0.00 34.95 30.73 1x2k s ARG 11 CO 0.05 0.66 1.31 0.00 -0.81 0.00 0.00 175.30 176.51 1x2k s ALA 12 N -0.81 2.85 0.55 6.12 0.00 -0.82 -3.21 121.76 126.44 1x2k s ALA 12 Ca 0.12 -0.90 0.25 0.00 0.00 0.00 0.00 51.96 51.43 1x2k s ALA 12 Cb -0.11 -4.12 1.46 0.00 0.00 0.00 0.00 23.12 20.35 1x2k s ALA 12 CO 0.02 -2.94 2.05 -0.07 0.00 0.00 0.00 175.76 174.81 1x2k h LEU 13 N 12.72 0.00 -7.00 0.00 3.38 -1.64 0.37 115.31 123.14 1x2k h LEU 13 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1x2k h LEU 13 Cb 1.07 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1x2k h LEU 13 CO 1.21 0.00 0.23 -0.31 0.09 0.00 0.00 178.44 179.66 1x2k s TYR 14 N -4.89 -0.56 0.14 1.13 1.51 -1.26 -4.60 117.35 108.82 1x2k s TYR 14 Ca -0.05 0.59 -0.34 0.00 -1.01 0.00 0.00 57.07 56.26 1x2k s TYR 14 Cb 0.18 0.51 -0.14 0.00 -0.11 0.00 0.00 41.96 42.40 1x2k s TYR 14 CO 0.66 -0.74 1.62 2.41 -1.11 0.00 0.00 175.55 178.38 1x2k n THR 15 N 0.07 0.06 -4.09 -0.71 -1.04 -1.26 -4.36 114.28 102.95 1x2k n THR 15 Ca -0.17 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.05 61.60 1x2k n THR 15 Cb 0.62 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.49 1x2k n THR 15 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1x2k s PHE 16 N 1.25 3.17 -0.34 -1.42 5.36 -0.81 -4.89 117.98 120.30 1x2k s PHE 16 Ca 0.80 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 1x2k s PHE 16 Cb -0.67 -1.45 0.11 0.00 -0.34 0.00 0.00 43.02 40.67 1x2k s PHE 16 CO 0.39 0.51 0.12 -1.21 -1.46 0.00 0.00 175.22 173.57 1x2k s GLU 17 N -3.71 0.91 -0.28 10.12 2.02 -1.26 -4.28 118.70 122.21 1x2k s GLU 17 Ca 0.33 -1.35 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 1x2k s GLU 17 Cb -0.08 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 1x2k s GLU 17 CO 0.25 -1.02 1.66 -1.25 0.02 0.00 0.00 175.26 174.92 1x2k s PRO 18 N 1.28 3.61 0.29 0.39 0.04 -1.26 -4.88 135.00 134.46 1x2k s PRO 18 Ca 0.12 1.50 0.13 0.00 0.04 0.00 0.00 61.00 62.78 1x2k s PRO 18 Cb -0.19 -4.09 0.39 0.00 0.04 0.00 0.00 34.50 30.64 1x2k s PRO 18 CO -0.18 -1.52 1.61 0.00 0.04 0.00 0.00 177.00 176.95 1x2k h ARG 19 N 11.48 0.00 -6.06 4.56 -0.00 -1.97 -3.44 114.38 118.95 1x2k h ARG 19 Ca -0.33 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.51 1x2k h ARG 19 Cb 1.15 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 31.03 1x2k h ARG 19 CO 1.02 0.58 -0.58 0.95 0.00 0.00 0.00 179.97 181.94 1x2k s THR 20 N -3.51 4.72 -1.46 2.04 -4.23 -1.26 -4.99 115.64 106.95 1x2k s THR 20 Ca -0.01 -0.54 0.15 0.00 -1.18 0.00 0.00 61.69 60.11 1x2k s THR 20 Cb 0.12 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 71.01 1x2k s THR 20 CO 0.75 0.24 1.40 -0.81 -0.54 0.00 0.00 174.62 175.66 1x2k n PRO 21 N 0.82 0.23 0.00 3.99 -0.04 -1.26 -1.94 135.00 136.79 1x2k n PRO 21 Ca -0.11 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1x2k n PRO 21 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 1x2k n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x2k n ASP 22 N -1.27 0.59 -4.74 3.54 8.00 -1.26 -4.92 116.55 116.49 1x2k n ASP 22 Ca 0.07 -0.35 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 1x2k n ASP 22 Cb 0.11 0.39 0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x2k s GLU 23 N -3.02 1.88 -0.07 -1.24 2.02 -0.82 -0.72 118.70 116.73 1x2k s GLU 23 Ca 0.10 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.23 1x2k s GLU 23 Cb 0.17 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 1x2k s GLU 23 CO 0.73 -1.31 -0.17 -1.17 0.02 0.00 0.00 175.26 173.36 1x2k s LEU 24 N -5.11 2.54 -0.20 1.80 2.96 0.15 -4.42 118.68 116.40 1x2k s LEU 24 Ca 0.64 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.10 1x2k s LEU 24 Cb -0.07 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1x2k s LEU 24 CO 0.43 0.27 0.23 -0.47 -1.32 0.00 0.00 176.35 175.49 1x2k s TYR 25 N -0.26 3.40 0.09 5.38 6.14 -1.26 -4.60 117.35 126.24 1x2k s TYR 25 Ca 0.01 0.43 -0.03 0.00 0.64 0.00 0.00 57.07 58.12 1x2k s TYR 25 Cb -0.13 -2.29 -0.03 0.00 0.42 0.00 0.00 41.96 39.93 1x2k s TYR 25 CO 0.03 0.18 0.06 -0.59 0.64 0.00 0.00 175.55 175.87 1x2k s PHE 26 N 0.67 0.57 0.36 4.97 -0.71 -1.26 -4.89 117.98 117.69 1x2k s PHE 26 Ca 0.12 -1.03 0.08 0.00 -1.04 0.00 0.00 56.93 55.06 1x2k s PHE 26 Cb -0.13 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 1x2k s PHE 26 CO 0.03 -0.48 0.26 -1.21 -1.34 0.00 0.00 175.22 172.47 1x2k s GLU 27 N -3.96 2.54 0.41 1.99 8.01 -1.26 -1.92 118.70 124.51 1x2k s GLU 27 Ca 0.13 -1.46 -0.25 0.00 0.01 0.00 0.00 54.97 53.40 1x2k s GLU 27 Cb 0.07 -2.33 -0.11 0.00 -4.31 0.00 0.00 34.13 27.45 1x2k s GLU 27 CO -0.05 0.02 1.09 -1.91 0.01 0.00 0.00 175.26 174.41 1x2k n GLU 28 N -1.34 1.52 -3.34 1.61 2.13 -1.26 -3.15 120.64 116.81 1x2k n GLU 28 Ca -0.01 0.54 -0.17 0.00 0.66 0.00 0.00 57.16 58.18 1x2k n GLU 28 Cb 0.61 -2.12 0.07 0.00 0.27 0.00 0.00 31.44 30.27 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 1.08 -1.01 2.99 8.31 0.00 0.13 -4.90 105.19 111.79 1x2k n GLY 29 Ca 0.09 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.56 1.78 0.31 1.61 1.01 -1.19 -4.90 116.67 111.73 1x2k s ASP 30 Ca 0.38 -0.28 -0.29 0.00 0.71 0.00 0.00 52.55 53.07 1x2k s ASP 30 Cb -0.06 -0.79 -0.10 0.00 1.01 0.00 0.00 42.92 42.97 1x2k s ASP 30 CO 0.76 -0.01 1.26 -0.63 0.21 0.00 0.00 175.17 176.76 1x2k s ILE 31 N 0.90 2.91 0.03 0.77 -1.09 -1.26 -1.94 121.20 121.52 1x2k s ILE 31 Ca -0.10 0.91 0.01 0.00 -2.23 0.00 0.00 60.65 59.23 1x2k s ILE 31 Cb -0.15 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1x2k s ILE 31 CO 0.01 0.21 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.26 1x2k s ILE 32 N -1.08 0.26 -0.33 2.92 1.01 0.15 -4.65 121.20 119.48 1x2k s ILE 32 Ca 0.48 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1x2k s ILE 32 Cb -0.38 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.70 1x2k s ILE 32 CO 0.49 -0.48 0.10 -0.31 0.00 0.00 0.00 174.94 174.74 1x2k s TYR 33 N -1.53 3.23 -0.36 3.97 1.51 -0.89 -0.67 117.35 122.60 1x2k s TYR 33 Ca -0.13 -1.32 -0.06 0.00 -1.01 0.00 0.00 57.07 54.54 1x2k s TYR 33 Cb -0.09 -2.27 0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1x2k s TYR 33 CO -0.01 -0.70 0.15 0.42 -1.11 0.00 0.00 175.55 174.30 1x2k s ILE 34 N 1.42 3.80 -0.13 2.71 -1.09 0.12 -1.59 121.20 126.44 1x2k s ILE 34 Ca -0.01 -1.31 0.08 0.00 -2.23 0.00 0.00 60.65 57.18 1x2k s ILE 34 Cb -0.19 -3.24 -0.13 0.00 -1.58 0.00 0.00 42.46 37.32 1x2k s ILE 34 CO 0.03 -0.31 -0.01 0.35 -1.23 0.00 0.00 174.94 173.76 1x2k n THR 35 N 4.80 0.83 -3.62 2.92 -2.24 -1.23 -1.87 114.28 113.87 1x2k n THR 35 Ca -0.11 -0.45 -0.39 0.00 -2.27 0.00 0.00 64.05 60.83 1x2k n THR 35 Cb 0.44 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 1x2k n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x2k s ASP 36 N -4.77 5.72 -0.37 3.42 2.15 -1.21 -4.96 116.67 116.65 1x2k s ASP 36 Ca -0.10 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 52.51 1x2k s ASP 36 Cb 0.04 -2.05 0.44 0.00 -0.30 0.00 0.00 42.92 41.05 1x2k s ASP 36 CO 0.44 -0.19 1.13 0.23 -0.17 0.00 0.00 175.17 176.62 1x2k n MET 37 N 5.02 3.33 -0.07 4.34 2.81 -1.26 -2.49 117.12 128.80 1x2k n MET 37 Ca -0.14 -4.29 -0.11 0.00 -1.81 0.00 0.00 57.70 51.36 1x2k n MET 37 Cb 0.50 -2.19 -0.04 0.00 -0.71 0.00 0.00 33.22 30.77 1x2k n MET 37 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1x2k h SER 38 N 2.45 0.36 -3.68 7.83 0.87 -1.93 -3.40 113.55 116.05 1x2k h SER 38 Ca 0.29 -0.25 -0.68 0.00 -1.23 0.00 0.00 61.79 59.92 1x2k h SER 38 Cb 1.18 -0.10 -0.30 0.00 -0.44 0.00 0.00 62.40 62.74 1x2k h SER 38 CO 0.78 0.52 -0.67 -1.81 -0.53 0.00 0.00 176.83 175.11 1x2k s ASP 39 N -5.79 4.96 0.40 6.23 1.11 -1.24 -4.97 116.67 117.37 1x2k s ASP 39 Ca -0.14 -1.09 0.14 0.00 0.18 0.00 0.00 52.55 51.64 1x2k s ASP 39 Cb 0.07 -1.78 0.99 0.00 1.07 0.00 0.00 42.92 43.27 1x2k s ASP 39 CO 0.73 -0.25 1.89 0.74 1.18 0.00 0.00 175.17 179.45 1x2k h THR 40 N 6.24 0.78 -0.24 -1.27 2.02 -1.99 -0.99 112.91 117.46 1x2k h THR 40 Ca -0.25 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.64 1x2k h THR 40 Cb 1.08 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1x2k h THR 40 CO 0.57 0.09 -0.32 0.78 0.37 0.00 0.00 175.52 177.01 1x2k h ASN 41 N 0.50 0.70 -3.20 4.18 2.35 -1.95 -3.40 115.58 114.75 1x2k h ASN 41 Ca 0.42 -0.50 -0.62 0.00 -0.55 0.00 0.00 56.30 55.05 1x2k h ASN 41 Cb 0.89 -0.20 -0.36 0.00 0.05 0.00 0.00 38.32 38.70 1x2k h ASN 41 CO -0.16 1.06 -0.83 0.26 -1.65 0.00 0.00 177.43 176.11 1x2k s TRP 42 N -4.23 2.33 0.29 1.19 0.52 -0.38 -3.70 118.94 114.96 1x2k s TRP 42 Ca -0.12 -1.39 0.07 0.00 0.02 0.00 0.00 56.10 54.67 1x2k s TRP 42 Cb 0.08 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 1x2k s TRP 42 CO 0.82 -0.71 0.30 -1.58 0.02 0.00 0.00 176.95 175.80 1x2k s TRP 43 N 1.43 3.12 -0.25 -1.98 0.51 -0.57 -3.69 118.94 117.50 1x2k s TRP 43 Ca 0.03 -0.16 0.03 0.00 -2.12 0.00 0.00 56.10 53.88 1x2k s TRP 43 Cb -0.14 -1.63 0.06 0.00 -0.81 0.00 0.00 33.47 30.95 1x2k s TRP 43 CO -0.10 0.33 -0.11 0.21 -0.51 0.00 0.00 176.95 176.77 1x2k s LYS 44 N -3.96 2.25 0.31 4.98 2.20 -1.04 0.14 119.74 124.62 1x2k s LYS 44 Ca 0.37 -1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 54.66 1x2k s LYS 44 Cb -0.08 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1x2k s LYS 44 CO 0.27 -0.55 0.41 0.20 -0.36 0.00 0.00 175.35 175.33 1x2k s GLY 45 N 1.13 1.38 -0.08 5.54 0.00 -1.15 -3.34 107.32 110.81 1x2k s GLY 45 Ca -0.08 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.19 1x2k s GLY 45 CO -0.06 -1.03 -0.12 -1.59 0.00 0.00 0.00 173.10 170.31 1x2k s THR 46 N -3.41 1.19 0.00 0.90 2.01 -0.62 -2.88 115.64 112.83 1x2k s THR 46 Ca 0.31 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1x2k s THR 46 Cb 0.01 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1x2k s THR 46 CO 0.18 0.38 0.00 -0.24 -0.69 0.00 0.00 174.62 174.24 1x2k n SER 47 N 4.06 0.00 -4.32 3.53 2.88 -1.22 -2.09 113.62 116.46 1x2k n SER 47 Ca -0.21 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.88 1x2k n SER 47 Cb 0.51 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 1x2k n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1x2k s LYS 48 N -0.34 3.08 -0.62 -1.46 2.47 -1.26 -4.69 119.74 116.92 1x2k s LYS 48 Ca 0.00 -1.77 -0.06 0.00 -1.56 0.00 0.00 55.97 52.59 1x2k s LYS 48 Cb 0.00 -4.32 0.06 0.00 -1.46 0.00 0.00 37.83 32.11 1x2k s LYS 48 CO 0.00 -1.35 0.14 0.41 0.16 0.00 0.00 175.35 174.71 1x2k n GLY 49 N 5.09 -0.11 3.33 5.54 0.00 -1.26 -4.79 105.19 112.99 1x2k n GLY 49 Ca -0.10 0.04 -0.09 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 -3.66 1.12 -0.23 1.61 0.52 -1.26 -5.15 118.95 111.89 1x2k s ARG 50 Ca 0.19 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1x2k s ARG 50 Cb -0.11 0.39 0.10 0.00 0.52 0.00 0.00 34.95 35.84 1x2k s ARG 50 CO 0.36 -0.41 0.22 0.99 0.02 0.00 0.00 175.30 176.47 1x2k s THR 51 N -3.93 -0.29 0.08 0.02 2.01 -1.26 -3.43 115.64 108.83 1x2k s THR 51 Ca 0.14 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1x2k s THR 51 Cb 0.03 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1x2k s THR 51 CO -0.03 -0.32 0.13 0.61 -0.69 0.00 0.00 174.62 174.32 1x2k n GLY 52 N 5.31 2.49 3.76 4.40 0.00 -1.14 -4.97 105.19 115.04 1x2k n GLY 52 Ca -0.05 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 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 4.44 -0.04 0.99 1.43 0.10 -2.94 118.68 122.66 1x2k s LEU 53 Ca 0.05 2.28 0.03 0.00 -1.03 0.00 0.00 54.13 55.46 1x2k s LEU 53 Cb -0.01 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1x2k s LEU 53 CO 0.04 -0.28 -0.12 -0.63 0.23 0.00 0.00 176.35 175.59 1x2k s ILE 54 N -1.26 1.01 -0.16 -0.59 1.01 0.12 0.32 121.20 121.65 1x2k s ILE 54 Ca 0.48 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 1x2k s ILE 54 Cb -0.31 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1x2k s ILE 54 CO 0.40 0.31 1.57 -2.16 0.00 0.00 0.00 174.94 175.06 1x2k s PRO 55 N 0.30 3.98 0.00 2.79 0.04 -1.26 -1.51 135.00 139.33 1x2k s PRO 55 Ca -0.06 1.82 0.14 0.00 0.04 0.00 0.00 61.00 62.94 1x2k s PRO 55 Cb -0.11 -3.98 0.67 0.00 0.04 0.00 0.00 34.50 31.13 1x2k s PRO 55 CO 0.02 -1.06 1.40 -1.13 0.04 0.00 0.00 177.00 176.26 1x2k n SER 56 N 7.75 0.00 0.09 6.66 3.41 -1.24 -2.02 113.62 128.27 1x2k n SER 56 Ca 0.17 0.21 0.01 0.00 -0.26 0.00 0.00 58.87 59.00 1x2k n SER 56 Cb 0.44 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1x2k n SER 56 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1x2k h ASN 57 N 0.00 0.00 0.10 4.04 2.35 -1.89 -3.36 115.58 116.82 1x2k h ASN 57 Ca 0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1x2k h ASN 57 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1x2k h ASN 57 CO 0.00 0.58 -1.69 1.88 -1.65 0.00 0.00 177.43 176.55 1x2k h TYR 58 N 0.00 0.37 -2.76 1.19 -1.99 -1.79 -3.48 116.97 108.51 1x2k h TYR 58 Ca -0.06 -0.27 -0.48 0.00 2.00 0.00 0.00 58.73 59.92 1x2k h TYR 58 Cb 1.49 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.21 1x2k h TYR 58 CO 0.00 1.66 -0.22 0.14 -0.00 0.00 0.00 178.16 179.74 1x2k s VAL 59 N -2.50 5.12 -0.12 -2.88 -7.23 -1.12 -1.57 120.40 110.12 1x2k s VAL 59 Ca -0.23 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 1x2k s VAL 59 Cb 0.06 -3.85 0.04 0.00 0.56 0.00 0.00 36.38 33.19 1x2k s VAL 59 CO 0.73 -0.50 0.43 0.00 -0.31 0.00 0.00 175.10 175.45 1x2k s ALA 60 N -2.24 -1.08 -0.37 1.32 0.00 -1.20 -4.74 121.76 113.45 1x2k s ALA 60 Ca 0.39 1.02 -0.43 0.00 0.00 0.00 0.00 51.96 52.95 1x2k s ALA 60 Cb -0.10 -0.46 -0.17 0.00 0.00 0.00 0.00 23.12 22.39 1x2k s ALA 60 CO 0.35 -0.24 1.71 -1.91 0.00 0.00 0.00 175.76 175.67 1x2k n GLU 61 N 2.27 0.71 -1.63 0.00 2.13 -1.26 -3.67 120.64 119.19 1x2k n GLU 61 Ca -0.16 0.26 -0.30 0.00 0.66 0.00 0.00 57.16 57.62 1x2k n GLU 61 Cb 0.57 -1.88 0.21 0.00 0.27 0.00 0.00 31.44 30.61 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 3.47 -0.11 1.13 5.31 -1.52 -1.15 -4.98 119.66 121.81 1x2k s GLN 62 Ca 1.02 -0.33 -0.17 0.00 -1.95 0.00 0.00 55.36 53.93 1x2k s GLN 62 Cb -1.23 -1.75 0.25 0.00 -0.22 0.00 0.00 33.01 30.06 1x2k s GLN 62 CO 0.72 -2.93 1.13 -1.12 -0.25 0.00 0.00 175.29 172.84 1x2k s SER 63 N -4.57 1.56 0.13 5.90 0.01 -1.26 -4.90 113.70 110.57 1x2k s SER 63 Ca 0.74 0.70 -0.15 0.00 1.31 0.00 0.00 55.95 58.54 1x2k s SER 63 Cb -0.05 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.19 1x2k s SER 63 CO 0.54 -3.74 0.38 -0.83 0.41 0.00 0.00 173.24 170.01 1x2k s GLY 64 N -3.93 -0.20 0.07 3.44 0.00 -1.26 -4.75 107.32 100.69 1x2k s GLY 64 Ca 0.70 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 45.10 1x2k s GLY 64 CO 0.56 -0.37 1.38 -0.56 0.00 0.00 0.00 173.10 174.11 1x2k h PRO 65 N 2.40 0.53 0.00 2.90 0.13 -1.98 -3.42 132.00 132.55 1x2k h PRO 65 Ca -0.34 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1x2k h PRO 65 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x2k h PRO 65 CO 0.47 0.86 -0.99 0.45 -0.23 0.00 0.00 178.00 178.56 1x2k n SER 66 N -4.41 0.21 0.05 1.44 2.88 -1.26 -5.01 113.62 107.52 1x2k n SER 66 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1x2k n SER 66 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1x2k n SER 66 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x2k n SER 67 N -2.97 0.74 0.00 -3.46 2.88 -1.26 -5.27 113.62 104.28 1x2k n SER 67 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1x2k n SER 67 Cb 0.50 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42