#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 6.41 0.35 1.61 1.04 -1.26 -5.07 113.70 116.78 1x2k s SER 2 Ca 0.00 0.48 -0.26 0.00 0.48 0.00 0.00 55.95 56.65 1x2k s SER 2 Cb 0.00 -2.17 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 1x2k s SER 2 CO 0.00 0.13 1.06 -0.55 0.98 0.00 0.00 173.24 174.86 1x2k s SER 3 N 0.33 6.98 0.41 7.02 0.15 -1.26 -4.92 113.70 122.41 1x2k s SER 3 Ca 0.15 2.12 0.22 0.00 0.70 0.00 0.00 55.95 59.14 1x2k s SER 3 Cb -0.13 -2.60 1.22 0.00 -1.71 0.00 0.00 66.02 62.80 1x2k s SER 3 CO 0.03 -0.34 1.71 1.23 1.20 0.00 0.00 173.24 177.07 1x2k h GLY 4 N 3.03 1.32 -3.84 9.45 0.00 -2.10 -3.41 103.07 107.52 1x2k h GLY 4 Ca -0.48 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 1x2k h GLY 4 CO 0.64 -0.26 -0.17 -0.45 0.00 0.00 0.00 176.54 176.30 1x2k s SER 5 N -4.95 -0.22 0.28 0.19 0.15 -1.26 -5.18 113.70 102.71 1x2k s SER 5 Ca -0.08 -0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 1x2k s SER 5 Cb 0.27 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1x2k s SER 5 CO 0.81 -0.63 0.40 -0.55 1.20 0.00 0.00 173.24 174.47 1x2k s SER 6 N -1.96 0.48 0.00 5.45 0.15 -1.26 -5.16 113.70 111.40 1x2k s SER 6 Ca -0.06 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1x2k s SER 6 Cb -0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x2k s SER 6 CO -0.02 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1x2k n GLY 7 N -0.45 4.00 3.86 9.45 0.00 -1.26 -5.05 105.19 115.74 1x2k n GLY 7 Ca 0.01 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1x2k n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2k s LYS 8 N -4.64 3.86 -0.28 1.61 1.02 -0.89 -4.91 119.74 115.52 1x2k s LYS 8 Ca 0.00 0.64 -0.01 0.00 0.02 0.00 0.00 55.97 56.62 1x2k s LYS 8 Cb 0.00 -2.32 0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1x2k s LYS 8 CO 0.00 -0.08 -0.03 0.08 -0.92 0.00 0.00 175.35 174.40 1x2k s VAL 9 N -2.39 2.88 -0.02 3.17 1.01 -1.26 -0.89 120.40 122.89 1x2k s VAL 9 Ca 0.54 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1x2k s VAL 9 Cb -0.10 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1x2k s VAL 9 CO 0.29 0.01 -0.02 -0.36 0.00 0.00 0.00 175.10 175.02 1x2k s PHE 10 N 1.27 3.03 -0.07 5.22 0.40 0.73 -3.03 117.98 125.53 1x2k s PHE 10 Ca -0.04 0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1x2k s PHE 10 Cb -0.19 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1x2k s PHE 10 CO -0.03 0.43 0.04 0.50 0.70 0.00 0.00 175.22 176.86 1x2k s ARG 11 N -1.35 3.05 -0.56 0.44 6.06 -1.19 -0.50 118.95 124.91 1x2k s ARG 11 Ca 0.17 -0.39 -0.28 0.00 -2.50 0.00 0.00 55.73 52.73 1x2k s ARG 11 Cb -0.11 -2.86 0.03 0.00 0.06 0.00 0.00 34.95 32.07 1x2k s ARG 11 CO 0.07 0.70 1.21 0.00 -2.50 0.00 0.00 175.30 174.78 1x2k s ALA 12 N -0.98 3.01 0.52 6.12 0.00 -1.13 -3.00 121.76 126.30 1x2k s ALA 12 Ca 0.16 -0.74 0.17 0.00 0.00 0.00 0.00 51.96 51.55 1x2k s ALA 12 Cb -0.12 -4.02 1.30 0.00 0.00 0.00 0.00 23.12 20.29 1x2k s ALA 12 CO 0.05 -2.62 2.14 -0.07 0.00 0.00 0.00 175.76 175.27 1x2k h LEU 13 N 11.91 0.00 -7.20 0.00 3.38 -1.59 -0.08 115.31 121.72 1x2k h LEU 13 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1x2k h LEU 13 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1x2k h LEU 13 CO 1.18 0.00 0.22 -0.31 0.09 0.00 0.00 178.44 179.61 1x2k s TYR 14 N -5.05 -0.47 0.04 1.13 1.51 -1.26 -4.72 117.35 108.54 1x2k s TYR 14 Ca -0.05 0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.91 1x2k s TYR 14 Cb 0.17 0.59 -0.08 0.00 -0.11 0.00 0.00 41.96 42.53 1x2k s TYR 14 CO 0.67 -0.93 1.83 0.99 -1.11 0.00 0.00 175.55 177.00 1x2k s THR 15 N -3.78 3.06 -0.04 -0.71 2.01 -1.26 -4.32 115.64 110.61 1x2k s THR 15 Ca 0.03 0.25 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 1x2k s THR 15 Cb -0.02 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1x2k s THR 15 CO -0.09 -0.02 0.20 0.12 -0.69 0.00 0.00 174.62 174.15 1x2k s PHE 16 N 3.81 3.58 -0.43 4.92 5.36 -1.03 -4.93 117.98 129.26 1x2k s PHE 16 Ca 0.82 0.50 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 1x2k s PHE 16 Cb -0.41 -1.93 0.12 0.00 -0.34 0.00 0.00 43.02 40.46 1x2k s PHE 16 CO 0.37 0.66 0.22 -1.21 -1.46 0.00 0.00 175.22 173.80 1x2k s GLU 17 N -1.58 2.01 -0.17 10.12 2.02 -1.26 -4.13 118.70 125.70 1x2k s GLU 17 Ca 0.24 -1.92 -0.29 0.00 0.02 0.00 0.00 54.97 53.01 1x2k s GLU 17 Cb -0.13 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 1x2k s GLU 17 CO 0.13 -1.07 1.58 -1.25 0.02 0.00 0.00 175.26 174.67 1x2k s PRO 18 N 0.96 3.95 0.28 0.39 0.04 -1.26 -4.89 135.00 134.46 1x2k s PRO 18 Ca 0.10 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.06 1x2k s PRO 18 Cb -0.22 -3.99 0.28 0.00 0.04 0.00 0.00 34.50 30.61 1x2k s PRO 18 CO -0.04 -1.11 1.54 0.00 0.04 0.00 0.00 177.00 177.43 1x2k h ARG 19 N 10.11 0.00 -6.17 4.56 -0.00 -1.97 -3.45 114.38 117.47 1x2k h ARG 19 Ca -0.34 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.49 1x2k h ARG 19 Cb 1.15 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 31.01 1x2k h ARG 19 CO 0.99 0.58 -0.62 0.95 0.00 0.00 0.00 179.97 181.87 1x2k s THR 20 N -3.25 4.38 -1.71 2.04 -4.23 -1.26 -4.99 115.64 106.62 1x2k s THR 20 Ca 0.01 -0.69 0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1x2k s THR 20 Cb 0.10 -3.04 0.35 0.00 1.34 0.00 0.00 72.50 71.25 1x2k s THR 20 CO 0.74 0.24 1.38 -0.81 -0.54 0.00 0.00 174.62 175.63 1x2k n PRO 21 N 0.88 0.35 0.04 3.99 -0.04 -1.26 -1.98 135.00 136.97 1x2k n PRO 21 Ca -0.11 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1x2k n PRO 21 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.15 0.63 -4.91 3.54 9.92 -1.26 -4.93 116.55 118.39 1x2k n ASP 22 Ca 0.09 -0.12 -0.27 0.00 -0.53 0.00 0.00 54.79 53.97 1x2k n ASP 22 Cb 0.09 0.65 0.04 0.00 -0.64 0.00 0.00 41.12 41.25 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x2k s GLU 23 N -3.20 2.82 -0.20 -1.24 0.41 -0.84 -1.32 118.70 115.14 1x2k s GLU 23 Ca 0.04 0.02 -0.05 0.00 -0.41 0.00 0.00 54.97 54.57 1x2k s GLU 23 Cb 0.14 -2.23 -0.02 0.00 -1.78 0.00 0.00 34.13 30.24 1x2k s GLU 23 CO 0.78 -0.80 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.56 1x2k s LEU 24 N -5.06 3.15 -0.05 1.80 2.96 0.12 -4.56 118.68 117.04 1x2k s LEU 24 Ca 0.55 -0.25 -0.24 0.00 -0.22 0.00 0.00 54.13 53.97 1x2k s LEU 24 Cb -0.11 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1x2k s LEU 24 CO 0.46 0.05 0.75 -0.47 -1.32 0.00 0.00 176.35 175.81 1x2k s TYR 25 N 1.09 3.60 0.08 5.38 5.04 -1.26 -4.80 117.35 126.48 1x2k s TYR 25 Ca 0.02 1.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.99 1x2k s TYR 25 Cb -0.14 -2.85 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1x2k s TYR 25 CO 0.01 0.08 -0.05 -0.59 -1.34 0.00 0.00 175.55 173.66 1x2k s PHE 26 N 0.79 0.77 0.16 4.97 -0.71 -1.26 -4.88 117.98 117.82 1x2k s PHE 26 Ca 0.40 -0.97 0.07 0.00 -1.04 0.00 0.00 56.93 55.39 1x2k s PHE 26 Cb -0.18 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1x2k s PHE 26 CO 0.20 -0.23 0.02 -1.21 -1.34 0.00 0.00 175.22 172.66 1x2k s GLU 27 N -3.86 2.50 -0.08 1.99 8.01 -1.26 -2.48 118.70 123.51 1x2k s GLU 27 Ca 0.10 -1.02 -0.38 0.00 0.01 0.00 0.00 54.97 53.68 1x2k s GLU 27 Cb 0.06 -2.43 -0.16 0.00 -4.31 0.00 0.00 34.13 27.29 1x2k s GLU 27 CO -0.06 0.47 1.55 -1.91 0.01 0.00 0.00 175.26 175.32 1x2k n GLU 28 N -0.02 1.20 -2.08 1.61 2.13 -1.26 -2.36 120.64 119.86 1x2k n GLU 28 Ca -0.10 0.44 -0.00 0.00 0.66 0.00 0.00 57.16 58.16 1x2k n GLU 28 Cb 0.54 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 3.37 0.50 3.00 8.31 0.00 -0.04 -4.93 105.19 115.39 1x2k n GLY 29 Ca 0.22 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.01 2.26 0.38 1.61 1.11 -1.00 -4.93 116.67 113.09 1x2k s ASP 30 Ca 0.00 -0.37 -0.28 0.00 0.18 0.00 0.00 52.55 52.08 1x2k s ASP 30 Cb -0.00 -0.98 -0.10 0.00 1.07 0.00 0.00 42.92 42.91 1x2k s ASP 30 CO 0.01 -0.03 1.46 -0.63 1.18 0.00 0.00 175.17 177.16 1x2k s ILE 31 N 1.18 2.12 -0.00 0.77 -1.09 -1.26 -2.83 121.20 120.08 1x2k s ILE 31 Ca -0.04 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1x2k s ILE 31 Cb -0.14 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1x2k s ILE 31 CO -0.03 0.03 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.07 1x2k s ILE 32 N -1.14 0.04 -0.34 2.92 1.01 0.35 -4.63 121.20 119.41 1x2k s ILE 32 Ca 0.54 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 1x2k s ILE 32 Cb -0.45 -0.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1x2k s ILE 32 CO 0.61 0.03 0.30 -0.31 0.00 0.00 0.00 174.94 175.57 1x2k s TYR 33 N 0.15 3.22 -0.33 3.97 1.51 -0.76 -0.19 117.35 124.93 1x2k s TYR 33 Ca -0.01 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1x2k s TYR 33 Cb -0.02 -2.57 0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1x2k s TYR 33 CO -0.00 -0.41 0.06 0.42 -1.11 0.00 0.00 175.55 174.51 1x2k s ILE 34 N 1.86 3.32 -0.11 2.71 -1.09 -0.07 -1.70 121.20 126.12 1x2k s ILE 34 Ca 0.09 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.17 1x2k s ILE 34 Cb -0.17 -2.93 -0.08 0.00 -1.58 0.00 0.00 42.46 37.70 1x2k s ILE 34 CO 0.11 -0.19 -0.08 0.35 -1.23 0.00 0.00 174.94 173.90 1x2k n THR 35 N 4.69 0.65 -3.30 2.92 -2.24 -1.24 -2.09 114.28 113.67 1x2k n THR 35 Ca -0.12 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1x2k n THR 35 Cb 0.44 -0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 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 -4.97 6.22 -0.37 3.42 -1.08 -1.21 -4.94 116.67 113.75 1x2k s ASP 36 Ca -0.14 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 51.43 1x2k s ASP 36 Cb 0.04 -2.24 0.44 0.00 -1.46 0.00 0.00 42.92 39.71 1x2k s ASP 36 CO 0.28 -0.56 1.23 0.23 0.52 0.00 0.00 175.17 176.87 1x2k n MET 37 N 5.67 3.49 0.05 4.34 2.81 -1.26 -2.57 117.12 129.65 1x2k n MET 37 Ca -0.07 -4.21 -0.17 0.00 -1.81 0.00 0.00 57.70 51.45 1x2k n MET 37 Cb 0.48 -2.27 -0.08 0.00 -0.71 0.00 0.00 33.22 30.64 1x2k n MET 37 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1x2k h SER 38 N 2.31 0.74 -3.44 7.83 0.02 -1.92 -3.40 113.55 115.70 1x2k h SER 38 Ca 0.37 -0.59 -0.71 0.00 -0.84 0.00 0.00 61.79 60.02 1x2k h SER 38 Cb 1.28 -0.23 -0.32 0.00 0.14 0.00 0.00 62.40 63.27 1x2k h SER 38 CO 0.85 1.39 -0.47 -1.81 -1.14 0.00 0.00 176.83 175.65 1x2k s ASP 39 N -7.19 5.45 0.48 3.07 1.11 -1.26 -4.94 116.67 113.39 1x2k s ASP 39 Ca -0.08 -2.02 0.23 0.00 0.18 0.00 0.00 52.55 50.85 1x2k s ASP 39 Cb 0.08 -1.91 1.26 0.00 1.07 0.00 0.00 42.92 43.42 1x2k s ASP 39 CO 0.90 -0.60 1.91 0.74 1.18 0.00 0.00 175.17 179.30 1x2k h THR 40 N 6.21 0.68 -0.05 -1.27 2.02 -1.97 0.61 112.91 119.14 1x2k h THR 40 Ca -0.16 -0.07 -0.23 0.00 0.77 0.00 0.00 66.41 66.73 1x2k h THR 40 Cb 1.05 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1x2k h THR 40 CO 0.77 0.04 -0.88 0.78 0.37 0.00 0.00 175.52 176.59 1x2k h ASN 41 N 0.20 0.69 -3.30 4.18 2.35 -1.94 -3.39 115.58 114.37 1x2k h ASN 41 Ca 0.38 -0.51 -0.53 0.00 -0.55 0.00 0.00 56.30 55.09 1x2k h ASN 41 Cb 1.20 -0.21 -0.40 0.00 0.05 0.00 0.00 38.32 38.97 1x2k h ASN 41 CO -0.07 1.30 -0.77 0.26 -1.65 0.00 0.00 177.43 176.49 1x2k s TRP 42 N -3.46 1.19 0.19 1.19 0.52 0.20 -4.20 118.94 114.58 1x2k s TRP 42 Ca -0.08 -1.00 -0.06 0.00 0.02 0.00 0.00 56.10 54.99 1x2k s TRP 42 Cb 0.09 -1.12 -0.06 0.00 -1.15 0.00 0.00 33.47 31.23 1x2k s TRP 42 CO 0.88 -0.64 0.46 -1.58 0.02 0.00 0.00 176.95 176.08 1x2k s TRP 43 N 1.80 3.46 -0.34 -1.98 0.51 -0.11 -3.98 118.94 118.30 1x2k s TRP 43 Ca -0.01 0.65 -0.08 0.00 -2.12 0.00 0.00 56.10 54.54 1x2k s TRP 43 Cb -0.17 -2.09 0.03 0.00 -0.81 0.00 0.00 33.47 30.43 1x2k s TRP 43 CO -0.09 0.34 0.13 0.21 -0.51 0.00 0.00 176.95 177.03 1x2k s LYS 44 N -2.88 2.76 0.29 4.98 2.20 -1.06 0.12 119.74 126.14 1x2k s LYS 44 Ca 0.43 -1.10 -0.06 0.00 -0.36 0.00 0.00 55.97 54.89 1x2k s LYS 44 Cb -0.12 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1x2k s LYS 44 CO 0.25 -0.64 0.42 0.20 -0.36 0.00 0.00 175.35 175.22 1x2k s GLY 45 N 1.46 1.14 -0.09 5.54 0.00 -0.98 -3.28 107.32 111.11 1x2k s GLY 45 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1x2k s GLY 45 CO 0.04 -0.93 -0.15 -1.59 0.00 0.00 0.00 173.10 170.47 1x2k s THR 46 N -3.58 1.45 0.00 0.90 2.01 -0.69 -2.35 115.64 113.38 1x2k s THR 46 Ca 0.29 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1x2k s THR 46 Cb 0.01 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1x2k s THR 46 CO 0.15 0.43 0.00 -0.24 -0.69 0.00 0.00 174.62 174.27 1x2k n SER 47 N 3.94 0.00 -4.32 3.53 2.88 -1.20 -1.83 113.62 116.62 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 -0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 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 3.07 -0.72 -1.46 2.36 -1.26 -4.68 119.74 116.71 1x2k s LYS 48 Ca 0.00 -1.75 -0.08 0.00 -2.55 0.00 0.00 55.97 51.60 1x2k s LYS 48 Cb 0.00 -4.32 0.08 0.00 -1.05 0.00 0.00 37.83 32.54 1x2k s LYS 48 CO 0.00 -1.36 0.19 0.41 1.55 0.00 0.00 175.35 176.14 1x2k n GLY 49 N 5.11 -0.14 3.29 5.54 0.00 -1.26 -4.80 105.19 112.93 1x2k n GLY 49 Ca -0.10 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.72 1.03 -0.21 1.61 0.52 -1.26 -5.15 118.95 111.77 1x2k s ARG 50 Ca 0.27 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1x2k s ARG 50 Cb -0.16 0.37 0.07 0.00 0.52 0.00 0.00 34.95 35.76 1x2k s ARG 50 CO 0.41 -0.36 0.09 0.99 0.02 0.00 0.00 175.30 176.44 1x2k s THR 51 N -3.91 0.08 0.12 0.02 2.01 -1.26 -3.26 115.64 109.44 1x2k s THR 51 Ca 0.11 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 1x2k s THR 51 Cb 0.04 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1x2k s THR 51 CO -0.06 -0.40 0.18 0.61 -0.69 0.00 0.00 174.62 174.27 1x2k n GLY 52 N 5.21 2.53 3.80 4.40 0.00 -0.99 -4.97 105.19 115.17 1x2k n GLY 52 Ca -0.07 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 3.59 -0.07 0.99 1.43 -0.43 -2.32 118.68 121.87 1x2k s LEU 53 Ca 0.08 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1x2k s LEU 53 Cb -0.01 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1x2k s LEU 53 CO 0.06 -1.09 0.17 -0.63 0.23 0.00 0.00 176.35 175.09 1x2k s ILE 54 N -2.30 -0.03 0.03 -0.59 1.01 0.32 0.14 121.20 119.78 1x2k s ILE 54 Ca 0.65 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 1x2k s ILE 54 Cb -0.17 -0.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1x2k s ILE 54 CO 0.32 0.04 1.42 -2.16 0.00 0.00 0.00 174.94 174.57 1x2k s PRO 55 N 0.74 4.28 0.00 2.79 0.04 -1.26 -0.93 135.00 140.66 1x2k s PRO 55 Ca -0.05 2.02 0.25 0.00 0.04 0.00 0.00 61.00 63.26 1x2k s PRO 55 Cb -0.07 -3.51 1.49 0.00 0.04 0.00 0.00 34.50 32.46 1x2k s PRO 55 CO -0.04 -0.56 1.88 0.45 0.04 0.00 0.00 177.00 178.77 1x2k n SER 56 N 5.08 0.00 -0.03 6.66 2.88 -1.26 -2.90 113.62 124.05 1x2k n SER 56 Ca 0.13 -0.91 -0.09 0.00 -1.33 0.00 0.00 58.87 56.66 1x2k n SER 56 Cb 0.43 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.75 1x2k n SER 56 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x2k n ASN 57 N -0.96 0.82 0.02 -3.46 3.02 -1.26 -4.35 115.26 109.09 1x2k n ASN 57 Ca 0.19 0.35 -0.21 0.00 -0.03 0.00 0.00 54.58 54.88 1x2k n ASN 57 Cb 0.09 0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.00 0.48 -2.60 3.10 -1.99 -1.92 -3.47 116.97 110.57 1x2k h TYR 58 Ca -0.33 -0.35 -0.47 0.00 2.00 0.00 0.00 58.73 59.59 1x2k h TYR 58 Cb 2.04 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 40.76 1x2k h TYR 58 CO 0.00 1.44 -0.23 0.14 -0.00 0.00 0.00 178.16 179.51 1x2k s VAL 59 N -2.45 4.90 0.12 -2.88 -7.23 -1.18 -1.39 120.40 110.28 1x2k s VAL 59 Ca -0.17 -0.61 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 1x2k s VAL 59 Cb 0.03 -3.77 0.02 0.00 0.56 0.00 0.00 36.38 33.21 1x2k s VAL 59 CO 0.79 -0.45 0.32 0.00 -0.31 0.00 0.00 175.10 175.45 1x2k s ALA 60 N -2.28 -0.60 -0.19 1.32 0.00 -1.16 -4.75 121.76 114.10 1x2k s ALA 60 Ca 0.40 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1x2k s ALA 60 Cb -0.10 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.58 1x2k s ALA 60 CO 0.35 -0.60 2.11 -1.91 0.00 0.00 0.00 175.76 175.70 1x2k n GLU 61 N -0.17 1.92 -1.55 0.00 2.13 -1.26 -3.15 120.64 118.57 1x2k n GLU 61 Ca -0.15 0.60 -0.33 0.00 0.66 0.00 0.00 57.16 57.94 1x2k n GLU 61 Cb 0.63 -2.90 -0.05 0.00 0.27 0.00 0.00 31.44 29.39 1x2k n GLU 61 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1x2k n GLN 62 N 8.02 0.85 -3.12 5.31 1.13 -1.17 -4.89 117.38 123.52 1x2k n GLN 62 Ca 0.30 -0.12 -0.45 0.00 -1.94 0.00 0.00 57.00 54.78 1x2k n GLN 62 Cb 0.36 -3.25 -0.04 0.00 0.11 0.00 0.00 30.24 27.41 1x2k n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1x2k s SER 63 N 11.56 6.25 0.10 1.08 1.04 -1.26 -4.98 113.70 127.49 1x2k s SER 63 Ca 1.02 -1.56 -0.07 0.00 0.48 0.00 0.00 55.95 55.82 1x2k s SER 63 Cb -0.29 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1x2k s SER 63 CO 0.26 -1.07 0.33 0.61 0.98 0.00 0.00 173.24 174.35 1x2k n GLY 64 N 5.21 1.31 0.25 7.32 0.00 -1.26 -5.05 105.19 112.97 1x2k n GLY 64 Ca -0.06 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1x2k n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2k h PRO 65 N 0.00 0.75 -5.14 1.61 0.13 -2.06 -3.41 132.00 123.89 1x2k h PRO 65 Ca -0.11 -0.39 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1x2k h PRO 65 Cb 0.43 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 1x2k h PRO 65 CO 0.14 1.01 0.47 0.45 -0.23 0.00 0.00 178.00 179.85 1x2k n SER 66 N -4.04 0.50 0.07 1.44 2.88 -1.26 -4.72 113.62 108.50 1x2k n SER 66 Ca -0.02 -1.71 -0.13 0.00 -1.33 0.00 0.00 58.87 55.68 1x2k n SER 66 Cb 0.54 -1.34 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 1x2k n SER 66 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x2k h SER 67 N 11.45 -0.09 0.00 -3.46 0.87 -1.99 -3.51 113.55 116.83 1x2k h SER 67 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1x2k h SER 67 Cb 1.02 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x2k h SER 67 CO 1.09 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.96