#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 4.09 -0.68 1.61 1.04 -1.26 -5.06 113.70 113.44 1x2k s SER 2 Ca 0.00 -2.35 -0.24 0.00 0.48 0.00 0.00 55.95 53.84 1x2k s SER 2 Cb 0.00 -1.22 -0.16 0.00 0.10 0.00 0.00 66.02 64.75 1x2k s SER 2 CO 0.00 -0.32 1.91 -1.20 0.98 0.00 0.00 173.24 174.61 1x2k n SER 3 N 3.94 0.25 0.00 7.02 7.64 -1.26 -4.78 113.62 126.43 1x2k n SER 3 Ca 0.04 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1x2k n SER 3 Cb 0.37 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1x2k n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2k n GLY 4 N 4.82 1.25 3.65 0.23 0.00 -1.26 -5.17 105.19 108.70 1x2k n GLY 4 Ca 0.47 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.35 0.02 1.61 0.15 -1.26 -5.18 113.70 108.69 1x2k s SER 5 Ca 0.00 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.22 1x2k s SER 5 Cb 0.00 1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 65.43 1x2k s SER 5 CO 0.00 -0.09 -0.05 -0.94 1.20 0.00 0.00 173.24 173.37 1x2k s SER 6 N 1.23 0.47 0.00 5.45 1.04 -1.26 -5.14 113.70 115.48 1x2k s SER 6 Ca -0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1x2k s SER 6 Cb -0.03 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1x2k s SER 6 CO -0.13 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x2k n GLY 7 N 1.94 1.75 3.87 7.32 0.00 -1.26 -4.93 105.19 113.88 1x2k n GLY 7 Ca -0.20 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.77 -0.25 1.61 -0.14 -0.15 -4.88 119.74 119.71 1x2k s LYS 8 Ca 0.00 0.55 -0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1x2k s LYS 8 Cb 0.00 -2.32 0.04 0.00 -1.68 0.00 0.00 37.83 33.86 1x2k s LYS 8 CO 0.00 -0.13 -0.09 0.08 -0.76 0.00 0.00 175.35 174.45 1x2k s VAL 9 N -2.51 2.59 -0.01 3.17 1.01 -1.26 -0.09 120.40 123.30 1x2k s VAL 9 Ca 0.52 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1x2k s VAL 9 Cb -0.10 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1x2k s VAL 9 CO 0.34 0.17 -0.15 -0.36 0.00 0.00 0.00 175.10 175.10 1x2k s PHE 10 N 1.26 2.66 0.07 5.22 0.40 -0.19 -2.64 117.98 124.76 1x2k s PHE 10 Ca -0.02 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1x2k s PHE 10 Cb -0.17 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1x2k s PHE 10 CO -0.06 0.22 0.11 0.50 0.70 0.00 0.00 175.22 176.69 1x2k s ARG 11 N -1.07 3.00 -0.52 0.44 3.52 -1.00 -0.91 118.95 122.41 1x2k s ARG 11 Ca 0.13 -0.63 -0.25 0.00 -0.13 0.00 0.00 55.73 54.86 1x2k s ARG 11 Cb -0.11 -2.80 0.04 0.00 -1.56 0.00 0.00 34.95 30.52 1x2k s ARG 11 CO 0.03 0.58 0.93 0.00 -0.81 0.00 0.00 175.30 176.03 1x2k s ALA 12 N -1.41 3.19 0.55 6.12 0.00 -1.11 -2.57 121.76 126.52 1x2k s ALA 12 Ca 0.30 -1.08 0.21 0.00 0.00 0.00 0.00 51.96 51.39 1x2k s ALA 12 Cb -0.12 -3.70 1.48 0.00 0.00 0.00 0.00 23.12 20.78 1x2k s ALA 12 CO 0.23 -2.26 2.19 -0.07 0.00 0.00 0.00 175.76 175.85 1x2k h LEU 13 N 10.81 0.00 -7.00 0.00 3.38 -1.61 -1.70 115.31 119.19 1x2k h LEU 13 Ca -0.25 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.74 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 1.06 0.00 0.33 -0.31 0.09 0.00 0.00 178.44 179.61 1x2k s TYR 14 N -4.89 -0.49 -0.15 1.13 1.51 -1.26 -4.78 117.35 108.41 1x2k s TYR 14 Ca -0.05 0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 56.20 1x2k s TYR 14 Cb 0.16 0.51 -0.06 0.00 -0.11 0.00 0.00 41.96 42.47 1x2k s TYR 14 CO 0.62 -0.66 2.15 0.99 -1.11 0.00 0.00 175.55 177.54 1x2k s THR 15 N -2.80 3.02 0.03 -0.71 2.01 -1.26 -4.28 115.64 111.65 1x2k s THR 15 Ca -0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.02 1x2k s THR 15 Cb -0.01 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1x2k s THR 15 CO -0.06 -0.01 0.11 0.12 -0.69 0.00 0.00 174.62 174.08 1x2k s PHE 16 N 7.31 3.31 -0.22 4.92 5.36 -1.09 -4.88 117.98 132.68 1x2k s PHE 16 Ca 0.97 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1x2k s PHE 16 Cb -0.35 -1.71 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 1x2k s PHE 16 CO 0.37 0.55 -0.13 -1.21 -1.46 0.00 0.00 175.22 173.34 1x2k s GLU 17 N -2.07 2.71 -0.21 10.12 2.02 -1.26 -3.60 118.70 126.41 1x2k s GLU 17 Ca 0.27 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 1x2k s GLU 17 Cb -0.12 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1x2k s GLU 17 CO 0.19 -0.38 1.60 -1.25 0.02 0.00 0.00 175.26 175.45 1x2k s PRO 18 N 1.24 3.82 0.36 0.39 0.04 -1.26 -4.88 135.00 134.71 1x2k s PRO 18 Ca -0.01 1.68 0.18 0.00 0.04 0.00 0.00 61.00 62.89 1x2k s PRO 18 Cb -0.16 -4.02 0.60 0.00 0.04 0.00 0.00 34.50 30.95 1x2k s PRO 18 CO -0.08 -1.26 1.70 0.00 0.04 0.00 0.00 177.00 177.40 1x2k h ARG 19 N 10.60 0.00 -6.15 4.56 -0.00 -1.96 -3.44 114.38 117.98 1x2k h ARG 19 Ca -0.34 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.50 1x2k h ARG 19 Cb 1.15 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 31.03 1x2k h ARG 19 CO 1.00 0.40 -0.60 0.95 0.00 0.00 0.00 179.97 181.72 1x2k s THR 20 N -3.53 4.52 -1.53 2.04 -4.23 -1.26 -4.99 115.64 106.65 1x2k s THR 20 Ca 0.00 -0.69 0.15 0.00 -1.18 0.00 0.00 61.69 59.98 1x2k s THR 20 Cb 0.11 -3.14 0.29 0.00 1.34 0.00 0.00 72.50 71.10 1x2k s THR 20 CO 0.70 0.19 1.40 -0.81 -0.54 0.00 0.00 174.62 175.56 1x2k n PRO 21 N 0.70 0.26 0.02 3.99 -0.04 -1.26 -2.01 135.00 136.66 1x2k n PRO 21 Ca -0.10 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 1x2k n PRO 21 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.23 0.33 -4.73 3.54 8.00 -1.26 -4.96 116.55 116.24 1x2k n ASP 22 Ca 0.08 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1x2k n ASP 22 Cb 0.11 1.45 0.11 0.00 -0.02 0.00 0.00 41.12 42.77 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 -3.41 1.60 -0.00 -1.24 2.02 -0.85 -2.04 118.70 114.78 1x2k s GLU 23 Ca -0.04 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.01 1x2k s GLU 23 Cb 0.13 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 1x2k s GLU 23 CO 0.87 -1.83 -0.09 -1.17 0.02 0.00 0.00 175.26 173.06 1x2k s LEU 24 N -5.70 3.06 -0.15 1.80 2.96 0.15 -4.51 118.68 116.29 1x2k s LEU 24 Ca 0.65 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1x2k s LEU 24 Cb -0.10 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1x2k s LEU 24 CO 0.50 0.29 0.05 -0.47 -1.32 0.00 0.00 176.35 175.40 1x2k s TYR 25 N -0.95 3.25 0.19 5.38 5.04 -1.26 -4.39 117.35 124.61 1x2k s TYR 25 Ca 0.16 0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.88 1x2k s TYR 25 Cb -0.11 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 1x2k s TYR 25 CO 0.06 0.30 0.18 -0.59 -1.34 0.00 0.00 175.55 174.15 1x2k s PHE 26 N -0.15 0.89 0.25 4.97 -0.71 -1.24 -4.83 117.98 117.17 1x2k s PHE 26 Ca 0.06 -1.18 0.11 0.00 -1.04 0.00 0.00 56.93 54.88 1x2k s PHE 26 Cb -0.12 -0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.26 1x2k s PHE 26 CO 0.01 -0.67 -0.15 -1.21 -1.34 0.00 0.00 175.22 171.86 1x2k s GLU 27 N -4.09 1.83 -0.13 1.99 2.02 -1.26 -2.65 118.70 116.39 1x2k s GLU 27 Ca 0.31 -1.60 -0.33 0.00 0.02 0.00 0.00 54.97 53.36 1x2k s GLU 27 Cb 0.06 -1.91 -0.11 0.00 0.10 0.00 0.00 34.13 32.27 1x2k s GLU 27 CO 0.08 0.36 1.98 -1.91 0.02 0.00 0.00 175.26 175.78 1x2k n GLU 28 N -0.47 2.05 -1.02 1.61 2.13 -1.26 -2.65 120.64 121.03 1x2k n GLU 28 Ca -0.07 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1x2k n GLU 28 Cb 0.59 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.57 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 4.89 0.55 2.96 8.31 0.00 -0.64 -4.89 105.19 116.37 1x2k n GLY 29 Ca 0.26 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.06 1.54 0.51 1.61 1.01 -1.08 -4.95 116.67 113.24 1x2k s ASP 30 Ca 0.00 -0.24 -0.22 0.00 0.71 0.00 0.00 52.55 52.81 1x2k s ASP 30 Cb 0.00 -0.69 -0.06 0.00 1.01 0.00 0.00 42.92 43.18 1x2k s ASP 30 CO 0.00 -0.02 1.21 -0.63 0.21 0.00 0.00 175.17 175.94 1x2k s ILE 31 N 0.90 2.80 -0.02 0.77 -1.09 -1.26 -2.76 121.20 120.54 1x2k s ILE 31 Ca -0.11 0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1x2k s ILE 31 Cb -0.15 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1x2k s ILE 31 CO 0.01 -0.03 0.10 -0.63 -1.23 0.00 0.00 174.94 173.15 1x2k s ILE 32 N -1.51 0.04 -0.34 2.92 1.01 -0.09 -4.66 121.20 118.57 1x2k s ILE 32 Ca 0.68 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 1x2k s ILE 32 Cb -0.31 -0.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.90 1x2k s ILE 32 CO 0.37 -0.18 0.21 -0.31 0.00 0.00 0.00 174.94 175.02 1x2k s TYR 33 N -0.59 3.21 -0.42 3.97 1.51 -0.99 -1.02 117.35 123.04 1x2k s TYR 33 Ca -0.07 -0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 1x2k s TYR 33 Cb -0.04 -2.44 0.08 0.00 -0.11 0.00 0.00 41.96 39.45 1x2k s TYR 33 CO 0.00 -0.47 0.25 0.42 -1.11 0.00 0.00 175.55 174.64 1x2k s ILE 34 N 1.65 4.10 -0.16 2.71 -1.09 0.87 -1.80 121.20 127.47 1x2k s ILE 34 Ca 0.05 -1.48 0.04 0.00 -2.23 0.00 0.00 60.65 57.03 1x2k s ILE 34 Cb -0.18 -3.54 -0.12 0.00 -1.58 0.00 0.00 42.46 37.04 1x2k s ILE 34 CO 0.08 -0.52 -0.11 0.35 -1.23 0.00 0.00 174.94 173.51 1x2k n THR 35 N 4.88 0.96 -4.00 2.92 -2.24 -1.23 -0.98 114.28 114.60 1x2k n THR 35 Ca -0.09 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 1x2k n THR 35 Cb 0.43 -1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 67.52 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 -5.43 4.75 -0.28 3.42 2.15 -1.16 -4.94 116.67 115.18 1x2k s ASP 36 Ca -0.19 -0.24 0.08 0.00 0.43 0.00 0.00 52.55 52.63 1x2k s ASP 36 Cb 0.05 -1.82 0.45 0.00 -0.30 0.00 0.00 42.92 41.31 1x2k s ASP 36 CO 0.43 0.03 1.28 0.23 -0.17 0.00 0.00 175.17 176.97 1x2k n MET 37 N 4.46 2.52 -0.33 4.34 2.81 -1.26 -0.92 117.12 128.73 1x2k n MET 37 Ca -0.17 -3.65 -0.02 0.00 -1.81 0.00 0.00 57.70 52.05 1x2k n MET 37 Cb 0.52 -1.95 0.02 0.00 -0.71 0.00 0.00 33.22 31.10 1x2k n MET 37 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1x2k n SER 38 N -0.94 -0.59 -4.49 7.83 7.64 -1.26 -3.99 113.62 117.82 1x2k n SER 38 Ca 0.33 1.51 -0.35 0.00 1.01 0.00 0.00 58.87 61.37 1x2k n SER 38 Cb 0.86 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1x2k n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x2k s ASP 39 N -5.32 5.04 0.45 6.43 2.15 -1.08 -4.98 116.67 119.36 1x2k s ASP 39 Ca -0.12 -0.14 0.17 0.00 0.43 0.00 0.00 52.55 52.90 1x2k s ASP 39 Cb 0.17 -1.87 1.13 0.00 -0.30 0.00 0.00 42.92 42.05 1x2k s ASP 39 CO 0.61 0.08 1.96 0.74 -0.17 0.00 0.00 175.17 178.38 1x2k h THR 40 N 5.29 0.81 0.17 1.71 2.02 -2.01 -2.10 112.91 118.81 1x2k h THR 40 Ca -0.36 -0.11 -0.34 0.00 0.77 0.00 0.00 66.41 66.38 1x2k h THR 40 Cb 1.18 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1x2k h THR 40 CO 0.62 0.06 -1.71 0.78 0.37 0.00 0.00 175.52 175.64 1x2k h ASN 41 N 0.31 0.55 -3.44 4.18 2.35 -1.93 -3.41 115.58 114.20 1x2k h ASN 41 Ca 0.31 -0.92 -0.67 0.00 -0.55 0.00 0.00 56.30 54.47 1x2k h ASN 41 Cb 0.79 -0.18 -0.29 0.00 0.05 0.00 0.00 38.32 38.69 1x2k h ASN 41 CO -0.08 1.76 -0.72 0.26 -1.65 0.00 0.00 177.43 177.00 1x2k s TRP 42 N -2.55 3.00 0.12 1.19 0.52 -0.79 -1.82 118.94 118.61 1x2k s TRP 42 Ca -0.18 -1.16 0.07 0.00 0.02 0.00 0.00 56.10 54.85 1x2k s TRP 42 Cb 0.05 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1x2k s TRP 42 CO 0.83 -0.62 -0.07 -1.58 0.02 0.00 0.00 176.95 175.53 1x2k s TRP 43 N 1.43 2.78 -0.38 -1.98 0.51 0.04 -2.64 118.94 118.69 1x2k s TRP 43 Ca 0.04 -0.14 -0.12 0.00 -2.12 0.00 0.00 56.10 53.76 1x2k s TRP 43 Cb -0.15 -1.43 0.03 0.00 -0.81 0.00 0.00 33.47 31.11 1x2k s TRP 43 CO -0.03 0.46 0.23 0.21 -0.51 0.00 0.00 176.95 177.30 1x2k s LYS 44 N -2.39 2.86 0.19 4.98 2.20 -0.10 0.15 119.74 127.64 1x2k s LYS 44 Ca 0.23 -1.07 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 1x2k s LYS 44 Cb -0.11 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1x2k s LYS 44 CO 0.15 -0.72 0.26 0.20 -0.36 0.00 0.00 175.35 174.89 1x2k s GLY 45 N 1.59 0.84 -0.15 5.54 0.00 -0.97 -2.97 107.32 111.20 1x2k s GLY 45 Ca 0.03 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.56 1x2k s GLY 45 CO 0.08 -1.01 -0.19 -1.59 0.00 0.00 0.00 173.10 170.38 1x2k s THR 46 N -4.05 1.93 0.00 0.90 2.01 -0.75 -2.69 115.64 113.00 1x2k s THR 46 Ca 0.26 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1x2k s THR 46 Cb 0.04 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1x2k s THR 46 CO 0.06 0.52 0.00 -0.24 -0.69 0.00 0.00 174.62 174.27 1x2k n SER 47 N 4.37 0.00 -4.32 3.53 2.88 -1.20 -2.34 113.62 116.54 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 0.51 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.35 3.08 -0.68 -1.46 1.02 -1.26 -4.69 119.74 115.40 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 -1.35 0.17 0.41 -0.92 0.00 0.00 175.35 173.65 1x2k n GLY 49 N 5.10 -0.12 3.24 -3.33 0.00 -1.26 -4.80 105.19 104.02 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 -3.68 0.91 -0.21 1.61 0.52 -1.26 -5.15 118.95 111.69 1x2k s ARG 50 Ca 0.24 -0.89 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 1x2k s ARG 50 Cb -0.14 0.38 0.07 0.00 0.52 0.00 0.00 34.95 35.78 1x2k s ARG 50 CO 0.38 -0.31 0.10 0.99 0.02 0.00 0.00 175.30 176.48 1x2k s THR 51 N -3.85 -0.03 0.07 0.02 2.01 -1.26 -3.23 115.64 109.37 1x2k s THR 51 Ca 0.04 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1x2k s THR 51 Cb 0.04 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.82 1x2k s THR 51 CO -0.11 -0.41 0.13 0.61 -0.69 0.00 0.00 174.62 174.14 1x2k n GLY 52 N 5.25 2.36 3.79 4.40 0.00 -1.09 -4.98 105.19 114.92 1x2k n GLY 52 Ca -0.07 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 3.73 -0.02 0.99 1.43 -0.86 -2.29 118.68 121.65 1x2k s LEU 53 Ca 0.04 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1x2k s LEU 53 Cb -0.01 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.68 1x2k s LEU 53 CO 0.03 -0.99 0.05 -0.63 0.23 0.00 0.00 176.35 175.04 1x2k s ILE 54 N -2.06 -0.03 -0.22 -0.59 1.01 0.41 0.30 121.20 120.01 1x2k s ILE 54 Ca 0.68 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.15 1x2k s ILE 54 Cb -0.18 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1x2k s ILE 54 CO 0.26 0.05 1.61 -2.16 0.00 0.00 0.00 174.94 174.70 1x2k s PRO 55 N 0.63 3.79 0.00 2.79 0.04 -1.26 -0.78 135.00 140.21 1x2k s PRO 55 Ca -0.05 1.65 0.11 0.00 0.04 0.00 0.00 61.00 62.75 1x2k s PRO 55 Cb -0.07 -4.03 0.54 0.00 0.04 0.00 0.00 34.50 30.97 1x2k s PRO 55 CO -0.02 -1.29 1.28 -1.13 0.04 0.00 0.00 177.00 175.88 1x2k n SER 56 N 8.44 0.00 0.10 6.66 3.41 -0.75 -2.23 113.62 129.24 1x2k n SER 56 Ca 0.19 0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.81 1x2k n SER 56 Cb 0.45 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.66 0.16 4.04 2.35 -1.89 -3.36 115.58 117.55 1x2k h ASN 57 Ca 0.00 -0.85 -0.28 0.00 -0.55 0.00 0.00 56.30 54.62 1x2k h ASN 57 Cb 0.13 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.31 1x2k h ASN 57 CO 0.00 1.69 -1.16 1.88 -1.65 0.00 0.00 177.43 178.19 1x2k h TYR 58 N 0.12 0.93 -2.33 1.19 -1.99 -1.85 -3.46 116.97 109.58 1x2k h TYR 58 Ca -0.29 -0.56 -0.45 0.00 2.00 0.00 0.00 58.73 59.43 1x2k h TYR 58 Cb 2.11 -0.08 0.02 0.00 2.00 0.00 0.00 36.73 40.78 1x2k h TYR 58 CO 0.10 1.40 -0.20 0.14 -0.00 0.00 0.00 178.16 179.61 1x2k s VAL 59 N -3.08 3.98 0.13 -2.88 -7.23 -1.06 -1.47 120.40 108.79 1x2k s VAL 59 Ca -0.09 -0.72 -0.16 0.00 -1.81 0.00 0.00 61.98 59.20 1x2k s VAL 59 Cb 0.06 -3.43 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1x2k s VAL 59 CO 0.92 -0.24 0.42 0.00 -0.31 0.00 0.00 175.10 175.89 1x2k s ALA 60 N -2.40 -0.96 0.24 1.32 0.00 -1.06 -4.75 121.76 114.14 1x2k s ALA 60 Ca 0.47 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.09 1x2k s ALA 60 Cb -0.10 0.72 -0.11 0.00 0.00 0.00 0.00 23.12 23.63 1x2k s ALA 60 CO 0.35 -0.66 1.59 -1.83 0.00 0.00 0.00 175.76 175.21 1x2k s GLU 61 N -3.81 4.17 -0.27 0.00 -1.05 -1.26 -2.38 118.70 114.10 1x2k s GLU 61 Ca 0.03 2.49 -0.20 0.00 -0.15 0.00 0.00 54.97 57.14 1x2k s GLU 61 Cb 0.02 -3.08 -0.02 0.00 -0.44 0.00 0.00 34.13 30.61 1x2k s GLU 61 CO -0.11 -0.62 0.63 -0.65 0.95 0.00 0.00 175.26 175.46 1x2k s GLN 62 N 0.25 4.06 -0.27 -4.83 -0.21 -1.08 -4.90 119.66 112.67 1x2k s GLN 62 Ca 0.67 0.49 -0.10 0.00 0.02 0.00 0.00 55.36 56.43 1x2k s GLN 62 Cb -0.46 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 29.83 1x2k s GLN 62 CO 0.40 -0.45 0.16 0.45 -2.12 0.00 0.00 175.29 173.73 1x2k s SER 63 N 1.51 5.85 -0.03 5.90 0.15 -1.26 -4.97 113.70 120.85 1x2k s SER 63 Ca 0.26 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.66 1x2k s SER 63 Cb -0.15 -2.08 0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1x2k s SER 63 CO 0.09 -0.04 0.94 0.61 1.20 0.00 0.00 173.24 176.04 1x2k n GLY 64 N 5.00 0.30 3.77 9.45 0.00 -1.26 -5.15 105.19 117.29 1x2k n GLY 64 Ca -0.14 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.01 4.10 -0.17 1.61 0.04 -1.26 -4.99 135.00 132.31 1x2k s PRO 65 Ca 0.22 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1x2k s PRO 65 Cb -0.00 -2.74 -0.06 0.00 0.04 0.00 0.00 34.50 31.73 1x2k s PRO 65 CO -0.01 -0.30 -0.22 0.45 0.04 0.00 0.00 177.00 176.96 1x2k n SER 66 N 0.19 1.88 -4.51 6.66 2.88 -1.26 -4.85 113.62 114.61 1x2k n SER 66 Ca 0.04 0.47 -0.43 0.00 -1.33 0.00 0.00 58.87 57.62 1x2k n SER 66 Cb 0.46 -0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 1x2k n SER 66 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2k s SER 67 N -6.06 6.29 0.00 -3.46 0.15 -1.26 -5.34 113.70 104.02 1x2k s SER 67 Ca -0.24 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1x2k s SER 67 Cb 0.04 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1x2k s SER 67 CO 0.36 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.67