#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 -1.06 0.13 1.61 0.15 -1.26 -5.17 113.70 108.11 1x2k s SER 2 Ca 0.00 0.50 0.09 0.00 0.70 0.00 0.00 55.95 57.24 1x2k s SER 2 Cb 0.00 1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 66.10 1x2k s SER 2 CO 0.00 -0.20 -0.21 -0.44 1.20 0.00 0.00 173.24 173.59 1x2k s SER 3 N 2.89 2.74 0.00 5.45 0.01 -1.26 -5.00 113.70 118.53 1x2k s SER 3 Ca 0.13 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1x2k s SER 3 Cb -0.11 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1x2k s SER 3 CO -0.19 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x2k n GLY 4 N 0.74 -1.61 3.45 3.44 0.00 -1.26 -4.99 105.19 104.96 1x2k n GLY 4 Ca -0.17 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 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 6.23 0.46 1.61 0.15 -1.26 -5.04 113.70 115.85 1x2k s SER 5 Ca 0.00 -0.93 -0.00 0.00 0.70 0.00 0.00 55.95 55.72 1x2k s SER 5 Cb 0.00 -2.35 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1x2k s SER 5 CO 0.00 -1.14 0.69 -0.94 1.20 0.00 0.00 173.24 173.05 1x2k s SER 6 N 3.15 5.83 0.00 5.45 1.04 -1.26 -5.01 113.70 122.90 1x2k s SER 6 Ca 0.19 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1x2k s SER 6 Cb -0.18 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1x2k s SER 6 CO 0.12 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1x2k n GLY 7 N -2.12 2.29 3.89 7.32 0.00 -1.26 -5.06 105.19 110.25 1x2k n GLY 7 Ca 0.02 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.04 3.66 -0.35 1.61 -0.14 -1.10 -4.92 119.74 113.46 1x2k s LYS 8 Ca 0.00 0.28 -0.01 0.00 -1.36 0.00 0.00 55.97 54.87 1x2k s LYS 8 Cb 0.00 -2.43 0.08 0.00 -1.68 0.00 0.00 37.83 33.81 1x2k s LYS 8 CO 0.00 -0.06 0.10 0.08 -0.76 0.00 0.00 175.35 174.71 1x2k s VAL 9 N -2.47 3.02 -0.09 3.17 1.01 -1.26 -1.72 120.40 122.07 1x2k s VAL 9 Ca 0.48 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1x2k s VAL 9 Cb -0.10 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1x2k s VAL 9 CO 0.36 -0.44 0.06 -0.36 0.00 0.00 0.00 175.10 174.73 1x2k s PHE 10 N 1.15 3.34 -0.03 5.22 0.40 0.08 -3.28 117.98 124.86 1x2k s PHE 10 Ca 0.03 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1x2k s PHE 10 Cb -0.21 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1x2k s PHE 10 CO -0.03 0.58 0.05 0.50 0.70 0.00 0.00 175.22 177.02 1x2k s ARG 11 N -1.06 3.01 -0.60 0.44 3.52 -1.21 -0.23 118.95 122.83 1x2k s ARG 11 Ca 0.15 -0.47 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 1x2k s ARG 11 Cb -0.12 -2.83 0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1x2k s ARG 11 CO 0.05 0.66 1.08 0.00 -0.81 0.00 0.00 175.30 176.28 1x2k s ALA 12 N -1.10 3.04 0.54 6.12 0.00 -1.11 -2.77 121.76 126.48 1x2k s ALA 12 Ca 0.20 -1.17 0.23 0.00 0.00 0.00 0.00 51.96 51.21 1x2k s ALA 12 Cb -0.12 -3.92 1.43 0.00 0.00 0.00 0.00 23.12 20.51 1x2k s ALA 12 CO 0.10 -2.64 2.10 -0.07 0.00 0.00 0.00 175.76 175.25 1x2k h LEU 13 N 11.62 0.00 -7.61 0.00 3.38 -1.54 0.13 115.31 121.30 1x2k h LEU 13 Ca -0.26 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1x2k h LEU 13 Cb 1.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1x2k h LEU 13 CO 1.16 0.00 0.21 -0.31 0.09 0.00 0.00 178.44 179.58 1x2k s TYR 14 N -4.93 -0.31 0.17 1.13 1.51 -1.26 -4.71 117.35 108.95 1x2k s TYR 14 Ca -0.05 -0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.65 1x2k s TYR 14 Cb 0.17 0.63 -0.10 0.00 -0.11 0.00 0.00 41.96 42.56 1x2k s TYR 14 CO 0.66 -1.07 1.51 0.99 -1.11 0.00 0.00 175.55 176.52 1x2k s THR 15 N -3.85 2.77 0.17 -0.71 2.01 -1.26 -4.19 115.64 110.58 1x2k s THR 15 Ca 0.07 0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1x2k s THR 15 Cb -0.04 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1x2k s THR 15 CO -0.01 0.05 0.15 0.12 -0.69 0.00 0.00 174.62 174.25 1x2k s PHE 16 N 0.91 3.18 -0.43 4.92 5.36 -1.06 -4.92 117.98 125.95 1x2k s PHE 16 Ca 0.67 -0.01 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 1x2k s PHE 16 Cb -0.42 -1.52 0.12 0.00 -0.34 0.00 0.00 43.02 40.86 1x2k s PHE 16 CO 0.33 0.52 0.18 -1.21 -1.46 0.00 0.00 175.22 173.58 1x2k s GLU 17 N -3.15 1.51 -0.06 10.12 2.02 -1.26 -4.36 118.70 123.52 1x2k s GLU 17 Ca 0.31 -2.08 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 1x2k s GLU 17 Cb -0.10 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1x2k s GLU 17 CO 0.24 -1.06 1.49 -1.25 0.02 0.00 0.00 175.26 174.70 1x2k s PRO 18 N 0.42 4.22 0.14 0.39 0.04 -1.26 -4.90 135.00 134.04 1x2k s PRO 18 Ca 0.15 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.33 1x2k s PRO 18 Cb -0.23 -3.80 -0.10 0.00 0.04 0.00 0.00 34.50 30.41 1x2k s PRO 18 CO -0.05 -0.74 1.13 0.00 0.04 0.00 0.00 177.00 177.38 1x2k h ARG 19 N 8.71 0.00 -5.92 4.56 2.47 -1.98 -3.46 114.38 118.75 1x2k h ARG 19 Ca -0.36 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.72 1x2k h ARG 19 Cb 1.16 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.41 1x2k h ARG 19 CO 0.94 0.57 -0.53 0.95 0.56 0.00 0.00 179.97 182.46 1x2k s THR 20 N -2.84 5.13 -2.00 2.04 -4.23 -1.26 -4.98 115.64 107.51 1x2k s THR 20 Ca 0.00 -0.33 0.14 0.00 -1.18 0.00 0.00 61.69 60.32 1x2k s THR 20 Cb 0.09 -3.41 0.40 0.00 1.34 0.00 0.00 72.50 70.91 1x2k s THR 20 CO 0.79 0.28 1.25 -0.81 -0.54 0.00 0.00 174.62 175.59 1x2k n PRO 21 N 0.85 0.49 -0.04 3.99 -0.04 -1.26 -2.19 135.00 136.80 1x2k n PRO 21 Ca -0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 1x2k n PRO 21 Cb 0.52 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.95 0.34 -4.76 3.54 2.03 -1.26 -4.96 116.55 110.53 1x2k n ASP 22 Ca 0.10 0.15 -0.29 0.00 0.52 0.00 0.00 54.79 55.28 1x2k n ASP 22 Cb 0.05 0.84 0.14 0.00 -0.72 0.00 0.00 41.12 41.42 1x2k n ASP 22 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x2k s GLU 23 N -2.83 1.18 -0.14 -0.67 2.02 -0.93 -0.25 118.70 117.08 1x2k s GLU 23 Ca -0.07 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.38 1x2k s GLU 23 Cb 0.09 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1x2k s GLU 23 CO 0.84 -2.21 -0.15 -1.17 0.02 0.00 0.00 175.26 172.59 1x2k s LEU 24 N -6.10 2.54 -0.09 1.80 2.96 0.19 -4.43 118.68 115.55 1x2k s LEU 24 Ca 0.63 -0.42 -0.23 0.00 -0.22 0.00 0.00 54.13 53.89 1x2k s LEU 24 Cb -0.16 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1x2k s LEU 24 CO 0.55 0.11 0.69 -0.47 -1.32 0.00 0.00 176.35 175.91 1x2k s TYR 25 N 0.64 3.54 0.16 5.38 5.04 -1.26 -4.79 117.35 126.07 1x2k s TYR 25 Ca -0.08 1.20 0.02 0.00 -2.44 0.00 0.00 57.07 55.77 1x2k s TYR 25 Cb -0.16 -2.80 -0.05 0.00 0.35 0.00 0.00 41.96 39.30 1x2k s TYR 25 CO 0.03 0.05 -0.00 -0.59 -1.34 0.00 0.00 175.55 173.69 1x2k s PHE 26 N 0.98 1.17 0.10 4.97 -0.71 -1.26 -4.92 117.98 118.30 1x2k s PHE 26 Ca 0.36 -1.02 0.08 0.00 -1.04 0.00 0.00 56.93 55.31 1x2k s PHE 26 Cb -0.17 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 1x2k s PHE 26 CO 0.17 -0.22 -0.17 -1.21 -1.34 0.00 0.00 175.22 172.45 1x2k s GLU 27 N -3.91 1.89 -0.49 1.99 8.01 -1.26 -2.56 118.70 122.37 1x2k s GLU 27 Ca 0.23 -1.11 -0.46 0.00 0.01 0.00 0.00 54.97 53.63 1x2k s GLU 27 Cb 0.06 -2.16 -0.20 0.00 -4.31 0.00 0.00 34.13 27.53 1x2k s GLU 27 CO 0.03 0.50 1.66 -1.91 0.01 0.00 0.00 175.26 175.55 1x2k n GLU 28 N 0.94 0.08 -1.35 1.61 2.13 -1.26 -2.33 120.64 120.46 1x2k n GLU 28 Ca -0.15 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1x2k n GLU 28 Cb 0.52 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 4.33 0.58 2.97 8.31 0.00 0.44 -4.94 105.19 116.88 1x2k n GLY 29 Ca 0.33 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.53 2.23 0.27 1.61 1.11 -0.98 -4.91 116.67 113.47 1x2k s ASP 30 Ca 0.00 -0.35 -0.30 0.00 0.18 0.00 0.00 52.55 52.08 1x2k s ASP 30 Cb 0.00 -0.93 -0.10 0.00 1.07 0.00 0.00 42.92 42.95 1x2k s ASP 30 CO 0.00 -0.06 1.43 -0.63 1.18 0.00 0.00 175.17 177.09 1x2k s ILE 31 N 1.38 2.58 0.03 0.77 -1.09 -1.26 -2.75 121.20 120.86 1x2k s ILE 31 Ca -0.00 0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 1x2k s ILE 31 Cb -0.13 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1x2k s ILE 31 CO -0.06 0.09 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.01 1x2k s ILE 32 N -0.27 0.83 -0.42 2.92 1.01 0.68 -4.44 121.20 121.50 1x2k s ILE 32 Ca 0.57 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1x2k s ILE 32 Cb -0.42 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.36 1x2k s ILE 32 CO 0.47 -0.06 0.26 -0.31 0.00 0.00 0.00 174.94 175.30 1x2k s TYR 33 N -0.82 3.40 -0.59 3.97 1.51 -0.24 -0.75 117.35 123.84 1x2k s TYR 33 Ca -0.01 -1.78 -0.17 0.00 -1.01 0.00 0.00 57.07 54.10 1x2k s TYR 33 Cb -0.07 -3.09 0.13 0.00 -0.11 0.00 0.00 41.96 38.82 1x2k s TYR 33 CO 0.01 -0.90 0.59 0.42 -1.11 0.00 0.00 175.55 174.55 1x2k s ILE 34 N 1.35 5.15 -0.20 2.71 -1.09 -0.70 -1.81 121.20 126.62 1x2k s ILE 34 Ca 0.04 -1.48 0.05 0.00 -2.23 0.00 0.00 60.65 57.04 1x2k s ILE 34 Cb -0.24 -4.40 -0.21 0.00 -1.58 0.00 0.00 42.46 36.03 1x2k s ILE 34 CO 0.00 -0.96 0.04 0.35 -1.23 0.00 0.00 174.94 173.15 1x2k n THR 35 N 5.20 1.53 -3.55 2.92 -2.24 -1.23 -2.70 114.28 114.21 1x2k n THR 35 Ca -0.10 -0.68 -0.40 0.00 -2.27 0.00 0.00 64.05 60.60 1x2k n THR 35 Cb 0.41 -1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 67.32 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 -6.33 5.96 -0.32 3.42 1.01 -1.18 -4.95 116.67 114.28 1x2k s ASP 36 Ca -0.24 -0.51 0.09 0.00 0.71 0.00 0.00 52.55 52.60 1x2k s ASP 36 Cb 0.08 -2.11 0.46 0.00 1.01 0.00 0.00 42.92 42.35 1x2k s ASP 36 CO 0.71 -0.25 1.16 0.23 0.21 0.00 0.00 175.17 177.22 1x2k n MET 37 N 5.08 3.29 0.10 8.23 2.81 -1.26 -2.56 117.12 132.81 1x2k n MET 37 Ca -0.13 -4.14 -0.04 0.00 -1.81 0.00 0.00 57.70 51.59 1x2k n MET 37 Cb 0.49 -2.16 0.14 0.00 -0.71 0.00 0.00 33.22 30.98 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 2.34 0.18 -3.58 7.83 0.87 -1.92 -3.40 113.55 115.87 1x2k h SER 38 Ca 0.28 -0.10 -0.69 0.00 -1.23 0.00 0.00 61.79 60.04 1x2k h SER 38 Cb 1.37 -0.05 -0.32 0.00 -0.44 0.00 0.00 62.40 62.95 1x2k h SER 38 CO 0.71 0.74 -0.59 -1.81 -0.53 0.00 0.00 176.83 175.35 1x2k s ASP 39 N -6.88 5.22 0.55 6.23 1.11 -1.25 -4.95 116.67 116.69 1x2k s ASP 39 Ca -0.03 -1.63 0.26 0.00 0.18 0.00 0.00 52.55 51.33 1x2k s ASP 39 Cb 0.12 -1.82 1.45 0.00 1.07 0.00 0.00 42.92 43.74 1x2k s ASP 39 CO 0.79 -0.44 2.01 0.74 1.18 0.00 0.00 175.17 179.45 1x2k h THR 40 N 6.33 0.64 0.01 -1.27 2.02 -1.99 -2.06 112.91 116.60 1x2k h THR 40 Ca -0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1x2k h THR 40 Cb 1.06 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1x2k h THR 40 CO 0.65 0.00 -0.08 0.78 0.37 0.00 0.00 175.52 177.24 1x2k h ASN 41 N 0.00 0.05 -3.14 4.18 2.35 -1.96 -3.42 115.58 113.65 1x2k h ASN 41 Ca 0.20 -0.97 -0.67 0.00 -0.55 0.00 0.00 56.30 54.32 1x2k h ASN 41 Cb 0.89 -0.02 -0.35 0.00 0.05 0.00 0.00 38.32 38.90 1x2k h ASN 41 CO -0.00 1.02 -0.86 0.26 -1.65 0.00 0.00 177.43 176.19 1x2k s TRP 42 N -2.34 2.67 0.35 1.19 0.52 -0.77 -3.29 118.94 117.27 1x2k s TRP 42 Ca -0.18 -1.47 0.07 0.00 0.02 0.00 0.00 56.10 54.54 1x2k s TRP 42 Cb -0.02 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1x2k s TRP 42 CO 0.70 -0.70 0.38 -1.58 0.02 0.00 0.00 176.95 175.77 1x2k s TRP 43 N 1.06 2.96 -0.20 -1.98 0.51 -0.11 -3.85 118.94 117.33 1x2k s TRP 43 Ca -0.01 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.68 1x2k s TRP 43 Cb -0.14 -1.93 0.05 0.00 -0.81 0.00 0.00 33.47 30.63 1x2k s TRP 43 CO -0.07 0.05 -0.06 0.21 -0.51 0.00 0.00 176.95 176.57 1x2k s LYS 44 N -4.09 1.60 0.33 4.98 2.20 -1.06 0.10 119.74 123.80 1x2k s LYS 44 Ca 0.44 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1x2k s LYS 44 Cb -0.07 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1x2k s LYS 44 CO 0.29 -0.52 0.50 0.41 -0.36 0.00 0.00 175.35 175.67 1x2k n GLY 45 N 4.76 1.97 3.03 5.54 0.00 -1.02 -3.13 105.19 116.34 1x2k n GLY 45 Ca -0.12 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1x2k n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x2k s THR 46 N -2.66 0.97 0.00 2.61 2.01 -0.75 -2.34 115.64 115.48 1x2k s THR 46 Ca 0.24 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1x2k s THR 46 Cb -0.02 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1x2k s THR 46 CO 0.17 0.30 0.00 -0.24 -0.69 0.00 0.00 174.62 174.16 1x2k n SER 47 N 3.40 0.00 -4.32 3.53 2.88 -1.18 -1.08 113.62 116.85 1x2k n SER 47 Ca -0.20 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.89 1x2k n SER 47 Cb 0.53 -0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.35 3.07 -0.77 -1.46 2.47 -1.26 -4.68 119.74 116.76 1x2k s LYS 48 Ca 0.00 -1.74 -0.09 0.00 -1.56 0.00 0.00 55.97 52.58 1x2k s LYS 48 Cb 0.00 -4.31 0.09 0.00 -1.46 0.00 0.00 37.83 32.14 1x2k s LYS 48 CO 0.00 -1.36 0.22 0.41 0.16 0.00 0.00 175.35 174.78 1x2k n GLY 49 N 5.12 -0.15 3.22 5.54 0.00 -1.26 -4.80 105.19 112.85 1x2k n GLY 49 Ca -0.10 0.03 -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 -3.75 0.84 -0.20 1.61 0.52 -1.26 -5.15 118.95 111.55 1x2k s ARG 50 Ca 0.30 -0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1x2k s ARG 50 Cb -0.18 0.35 0.07 0.00 0.52 0.00 0.00 34.95 35.71 1x2k s ARG 50 CO 0.43 -0.27 0.08 0.99 0.02 0.00 0.00 175.30 176.54 1x2k s THR 51 N -3.51 0.17 0.09 0.02 2.01 -1.26 -3.12 115.64 110.04 1x2k s THR 51 Ca 0.02 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1x2k s THR 51 Cb 0.03 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1x2k s THR 51 CO -0.09 -0.35 0.14 0.61 -0.69 0.00 0.00 174.62 174.24 1x2k n GLY 52 N 5.17 2.58 3.80 4.40 0.00 -0.99 -4.98 105.19 115.17 1x2k n GLY 52 Ca -0.07 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 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 4.00 -0.01 0.99 1.43 0.66 -2.42 118.68 123.32 1x2k s LEU 53 Ca 0.06 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1x2k s LEU 53 Cb -0.01 -4.41 0.01 0.00 0.03 0.00 0.00 46.19 41.82 1x2k s LEU 53 CO 0.05 -0.50 -0.02 -0.63 0.23 0.00 0.00 176.35 175.48 1x2k s ILE 54 N -1.93 0.23 0.18 -0.59 1.01 0.12 0.53 121.20 120.75 1x2k s ILE 54 Ca 0.61 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1x2k s ILE 54 Cb -0.16 -0.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.98 1x2k s ILE 54 CO 0.20 0.10 1.31 -2.16 0.00 0.00 0.00 174.94 174.39 1x2k s PRO 55 N 0.34 4.38 -0.08 2.79 0.04 -1.26 -0.93 135.00 140.28 1x2k s PRO 55 Ca -0.03 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1x2k s PRO 55 Cb -0.06 -3.21 0.16 0.00 0.04 0.00 0.00 34.50 31.43 1x2k s PRO 55 CO -0.01 -0.27 1.04 -1.13 0.04 0.00 0.00 177.00 176.67 1x2k n SER 56 N 2.84 2.73 0.00 6.66 3.41 -1.21 -3.44 113.62 124.62 1x2k n SER 56 Ca 0.07 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1x2k n SER 56 Cb 0.43 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 0.14 4.60 0.11 4.04 3.02 -1.26 -4.74 115.26 121.17 1x2k n ASN 57 Ca 0.10 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.48 1x2k n ASN 57 Cb 0.64 0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.61 -1.74 3.10 -1.99 -1.95 -3.46 116.97 111.53 1x2k h TYR 58 Ca 0.00 -0.44 -0.43 0.00 2.00 0.00 0.00 58.73 59.86 1x2k h TYR 58 Cb 0.98 -0.03 0.02 0.00 2.00 0.00 0.00 36.73 39.70 1x2k h TYR 58 CO 0.00 1.33 -0.25 0.14 -0.00 0.00 0.00 178.16 179.38 1x2k s VAL 59 N -2.68 3.38 -0.14 -2.88 -7.23 -1.24 -1.27 120.40 108.34 1x2k s VAL 59 Ca -0.05 -0.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.95 1x2k s VAL 59 Cb 0.07 -3.16 0.06 0.00 0.56 0.00 0.00 36.38 33.90 1x2k s VAL 59 CO 0.90 -0.07 0.59 0.00 -0.31 0.00 0.00 175.10 176.20 1x2k s ALA 60 N -2.34 -1.48 -0.54 1.32 0.00 -1.11 -4.88 121.76 112.72 1x2k s ALA 60 Ca 0.52 1.40 -0.33 0.00 0.00 0.00 0.00 51.96 53.54 1x2k s ALA 60 Cb -0.10 -0.53 -0.13 0.00 0.00 0.00 0.00 23.12 22.35 1x2k s ALA 60 CO 0.33 -0.31 2.35 -1.91 0.00 0.00 0.00 175.76 176.22 1x2k n GLU 61 N 1.97 0.74 -1.68 0.00 2.13 -1.26 -3.33 120.64 119.22 1x2k n GLU 61 Ca -0.16 0.14 -0.61 0.00 0.66 0.00 0.00 57.16 57.18 1x2k n GLU 61 Cb 0.56 -2.38 -0.08 0.00 0.27 0.00 0.00 31.44 29.81 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 8.38 0.50 -3.58 5.31 1.13 -1.21 -4.94 117.38 122.98 1x2k n GLN 62 Ca 0.47 0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 55.55 1x2k n GLN 62 Cb 0.23 -1.76 -0.14 0.00 0.11 0.00 0.00 30.24 28.69 1x2k n GLN 62 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x2k s SER 63 N 2.41 0.93 -0.37 1.08 0.15 -1.26 -5.06 113.70 111.57 1x2k s SER 63 Ca 0.98 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.74 1x2k s SER 63 Cb -1.26 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 63.70 1x2k s SER 63 CO 0.69 -0.28 0.99 -0.83 1.20 0.00 0.00 173.24 175.00 1x2k s GLY 64 N 2.35 -1.66 -0.83 9.45 0.00 -1.26 -5.10 107.32 110.26 1x2k s GLY 64 Ca 0.04 0.57 -0.25 0.00 0.00 0.00 0.00 44.72 45.08 1x2k s GLY 64 CO -0.10 4.15 1.93 2.56 0.00 0.00 0.00 173.10 181.64 1x2k s PRO 65 N 1.29 2.57 0.34 2.90 0.04 -1.26 -4.97 135.00 135.91 1x2k s PRO 65 Ca 0.22 -0.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1x2k s PRO 65 Cb 0.07 -4.91 -0.06 0.00 0.04 0.00 0.00 34.50 29.64 1x2k s PRO 65 CO -0.10 -3.23 0.68 -1.12 0.04 0.00 0.00 177.00 173.26 1x2k s SER 66 N 8.06 6.55 0.02 6.66 0.01 -1.26 -5.01 113.70 128.72 1x2k s SER 66 Ca 0.69 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1x2k s SER 66 Cb -0.08 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1x2k s SER 66 CO 0.04 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.18 1x2k n SER 67 N -0.92 0.15 0.00 2.44 2.88 -1.26 -5.34 113.62 111.57 1x2k n SER 67 Ca 0.01 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x2k n SER 67 Cb 0.54 -0.03 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1x2k n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42