#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 4.07 -0.24 1.61 0.01 -1.26 -5.13 113.70 112.76 1x2k s SER 2 Ca 0.00 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.64 1x2k s SER 2 Cb 0.00 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.58 1x2k s SER 2 CO 0.00 0.22 0.64 -0.94 0.41 0.00 0.00 173.24 173.57 1x2k s SER 3 N -1.77 -0.69 0.00 2.44 1.04 -1.26 -5.12 113.70 108.34 1x2k s SER 3 Ca 0.17 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1x2k s SER 3 Cb -0.11 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.31 1x2k s SER 3 CO 0.09 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1x2k n GLY 4 N 2.95 -1.44 3.61 7.32 0.00 -1.26 -5.13 105.19 111.25 1x2k n GLY 4 Ca -0.15 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 1x2k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2k s SER 5 N 0.00 6.73 0.15 1.61 1.04 -1.26 -5.01 113.70 116.96 1x2k s SER 5 Ca 0.00 0.67 -0.31 0.00 0.48 0.00 0.00 55.95 56.80 1x2k s SER 5 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.55 1x2k s SER 5 CO 0.00 -0.90 1.33 -0.94 0.98 0.00 0.00 173.24 173.71 1x2k s SER 6 N 1.88 6.89 -0.18 7.02 1.04 -1.26 -5.02 113.70 124.08 1x2k s SER 6 Ca 0.41 2.33 -0.01 0.00 0.48 0.00 0.00 55.95 59.15 1x2k s SER 6 Cb -0.12 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.40 1x2k s SER 6 CO 0.19 -0.56 -0.11 -0.83 0.98 0.00 0.00 173.24 172.91 1x2k s GLY 7 N 0.70 1.53 0.47 7.32 0.00 -1.26 -4.66 107.32 111.42 1x2k s GLY 7 Ca 0.60 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 1x2k s GLY 7 CO 0.34 0.18 0.81 0.54 0.00 0.00 0.00 173.10 174.97 1x2k s LYS 8 N 1.05 3.62 -0.22 2.90 -0.14 -0.59 -4.88 119.74 121.48 1x2k s LYS 8 Ca -0.00 0.34 -0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1x2k s LYS 8 Cb -0.15 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.67 1x2k s LYS 8 CO -0.02 -0.19 -0.10 0.08 -0.76 0.00 0.00 175.35 174.35 1x2k s VAL 9 N -2.68 2.70 -0.03 3.17 1.01 -1.26 -1.00 120.40 122.30 1x2k s VAL 9 Ca 0.49 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1x2k s VAL 9 Cb -0.10 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1x2k s VAL 9 CO 0.42 0.35 -0.22 -0.36 0.00 0.00 0.00 175.10 175.28 1x2k s PHE 10 N 1.34 2.45 -0.14 5.22 0.40 -0.60 -2.07 117.98 124.58 1x2k s PHE 10 Ca 0.03 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.91 1x2k s PHE 10 Cb -0.15 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1x2k s PHE 10 CO -0.07 0.02 0.11 0.50 0.70 0.00 0.00 175.22 176.47 1x2k s ARG 11 N -0.61 3.64 -0.46 0.44 3.52 -0.80 -1.55 118.95 123.13 1x2k s ARG 11 Ca 0.09 -0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.19 1x2k s ARG 11 Cb -0.10 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1x2k s ARG 11 CO -0.00 0.58 1.41 0.00 -0.81 0.00 0.00 175.30 176.48 1x2k s ALA 12 N -0.46 2.97 0.51 6.12 0.00 -0.98 -1.55 121.76 128.38 1x2k s ALA 12 Ca 0.11 -0.30 0.18 0.00 0.00 0.00 0.00 51.96 51.95 1x2k s ALA 12 Cb -0.12 -3.99 1.26 0.00 0.00 0.00 0.00 23.12 20.28 1x2k s ALA 12 CO 0.02 -2.55 2.08 -0.07 0.00 0.00 0.00 175.76 175.24 1x2k h LEU 13 N 12.47 0.06 -8.13 0.00 3.38 0.59 0.15 115.31 123.82 1x2k h LEU 13 Ca -0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1x2k h LEU 13 Cb 1.10 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1x2k h LEU 13 CO 1.11 0.04 0.08 -0.31 0.09 0.00 0.00 178.44 179.45 1x2k s TYR 14 N -5.11 0.18 0.01 1.13 2.02 -1.24 -4.64 117.35 109.70 1x2k s TYR 14 Ca -0.05 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 55.72 1x2k s TYR 14 Cb 0.18 0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 42.18 1x2k s TYR 14 CO 0.70 -1.21 1.18 0.99 -1.57 0.00 0.00 175.55 175.64 1x2k s THR 15 N -3.56 4.20 -0.03 -0.71 2.01 -1.26 -3.92 115.64 112.37 1x2k s THR 15 Ca 0.18 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1x2k s THR 15 Cb -0.03 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1x2k s THR 15 CO 0.10 0.07 -0.00 0.12 -0.69 0.00 0.00 174.62 174.21 1x2k s PHE 16 N 1.55 3.09 -0.43 4.92 5.36 -1.13 -4.92 117.98 126.42 1x2k s PHE 16 Ca 0.57 0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.62 1x2k s PHE 16 Cb -0.27 -1.70 0.12 0.00 -0.34 0.00 0.00 43.02 40.83 1x2k s PHE 16 CO 0.26 0.45 0.22 -1.21 -1.46 0.00 0.00 175.22 173.48 1x2k s GLU 17 N -1.33 2.01 -0.23 10.12 2.02 -1.26 -3.97 118.70 126.08 1x2k s GLU 17 Ca 0.17 -1.93 -0.29 0.00 0.02 0.00 0.00 54.97 52.95 1x2k s GLU 17 Cb -0.11 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1x2k s GLU 17 CO 0.07 -1.07 1.61 -1.25 0.02 0.00 0.00 175.26 174.64 1x2k s PRO 18 N 0.94 3.78 0.25 0.39 0.04 -1.26 -4.87 135.00 134.27 1x2k s PRO 18 Ca 0.10 1.64 0.24 0.00 0.04 0.00 0.00 61.00 63.02 1x2k s PRO 18 Cb -0.22 -4.04 0.50 0.00 0.04 0.00 0.00 34.50 30.78 1x2k s PRO 18 CO -0.04 -1.31 1.55 0.00 0.04 0.00 0.00 177.00 177.24 1x2k h ARG 19 N 10.75 0.00 -6.21 4.56 -0.00 -1.97 -3.46 114.38 118.05 1x2k h ARG 19 Ca -0.33 0.00 -0.66 0.00 -0.50 0.00 0.00 59.98 58.49 1x2k h ARG 19 Cb 1.15 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 31.00 1x2k h ARG 19 CO 1.00 0.00 -0.64 0.95 0.00 0.00 0.00 179.97 181.28 1x2k s THR 20 N -3.17 4.16 -1.50 2.04 -4.23 -1.26 -5.00 115.64 106.68 1x2k s THR 20 Ca 0.07 -0.73 0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1x2k s THR 20 Cb 0.10 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.31 1x2k s THR 20 CO 0.66 0.27 1.40 -0.81 -0.54 0.00 0.00 174.62 175.61 1x2k n PRO 21 N 1.05 0.24 0.03 3.99 -0.04 -1.26 -2.10 135.00 136.91 1x2k n PRO 21 Ca -0.13 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1x2k n PRO 21 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.25 0.45 -4.89 3.54 -0.08 -1.26 -4.95 116.55 108.11 1x2k n ASP 22 Ca 0.08 0.18 -0.30 0.00 -1.51 0.00 0.00 54.79 53.24 1x2k n ASP 22 Cb 0.11 1.05 0.06 0.00 2.34 0.00 0.00 41.12 44.67 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 -3.27 2.63 -0.09 -0.67 2.02 -0.89 -0.25 118.70 118.18 1x2k s GLU 23 Ca -0.05 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1x2k s GLU 23 Cb 0.11 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1x2k s GLU 23 CO 0.84 -1.17 -0.08 -1.17 0.02 0.00 0.00 175.26 173.71 1x2k s LEU 24 N -5.40 3.09 -0.17 1.80 2.96 0.15 -4.52 118.68 116.58 1x2k s LEU 24 Ca 0.59 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 54.25 1x2k s LEU 24 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1x2k s LEU 24 CO 0.51 0.31 0.40 -0.47 -1.32 0.00 0.00 176.35 175.77 1x2k s TYR 25 N -0.48 3.42 0.26 5.38 6.14 -1.26 -4.62 117.35 126.18 1x2k s TYR 25 Ca 0.07 0.68 0.02 0.00 0.64 0.00 0.00 57.07 58.48 1x2k s TYR 25 Cb -0.12 -2.50 -0.04 0.00 0.42 0.00 0.00 41.96 39.73 1x2k s TYR 25 CO 0.02 0.08 0.17 -0.59 0.64 0.00 0.00 175.55 175.87 1x2k s PHE 26 N 0.99 1.42 0.23 4.97 -0.71 -1.25 -4.91 117.98 118.72 1x2k s PHE 26 Ca 0.20 -1.44 0.07 0.00 -1.04 0.00 0.00 56.93 54.73 1x2k s PHE 26 Cb -0.14 -0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 40.94 1x2k s PHE 26 CO 0.08 -0.66 -0.12 -1.21 -1.34 0.00 0.00 175.22 171.98 1x2k s GLU 27 N -3.91 1.42 0.25 1.99 2.02 -1.26 -2.84 118.70 116.37 1x2k s GLU 27 Ca 0.39 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.41 1x2k s GLU 27 Cb 0.05 -1.15 -0.14 0.00 0.10 0.00 0.00 34.13 33.00 1x2k s GLU 27 CO 0.17 0.14 1.28 -1.91 0.02 0.00 0.00 175.26 174.96 1x2k n GLU 28 N -0.46 1.79 -2.65 1.61 2.13 -1.25 -3.11 120.64 118.70 1x2k n GLU 28 Ca -0.07 0.63 -0.10 0.00 0.66 0.00 0.00 57.16 58.29 1x2k n GLU 28 Cb 0.61 -2.21 0.05 0.00 0.27 0.00 0.00 31.44 30.16 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 1.75 -0.29 3.18 8.31 0.00 0.52 -4.93 105.19 113.73 1x2k n GLY 29 Ca 0.11 0.16 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 1x2k n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x2k s ASP 30 N -3.39 1.87 -0.18 1.61 -1.08 -1.18 -4.92 116.67 109.40 1x2k s ASP 30 Ca 0.21 -0.53 -0.20 0.00 -0.52 0.00 0.00 52.55 51.51 1x2k s ASP 30 Cb -0.03 -0.11 -0.03 0.00 -1.46 0.00 0.00 42.92 41.29 1x2k s ASP 30 CO 0.45 0.03 0.59 -0.63 0.52 0.00 0.00 175.17 176.13 1x2k s ILE 31 N -0.98 5.07 0.03 4.11 -1.09 -1.26 -2.31 121.20 124.77 1x2k s ILE 31 Ca 0.02 1.11 0.07 0.00 -2.23 0.00 0.00 60.65 59.62 1x2k s ILE 31 Cb -0.09 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1x2k s ILE 31 CO 0.02 0.17 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.07 1x2k s ILE 32 N 1.59 1.54 -0.38 2.92 1.01 -0.60 -4.58 121.20 122.71 1x2k s ILE 32 Ca 0.28 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 1x2k s ILE 32 Cb -0.16 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.00 1x2k s ILE 32 CO 0.11 0.20 0.22 -0.31 0.00 0.00 0.00 174.94 175.16 1x2k s TYR 33 N -0.75 3.24 -0.40 3.97 1.51 -0.98 -1.56 117.35 122.38 1x2k s TYR 33 Ca 0.06 -0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 55.14 1x2k s TYR 33 Cb -0.08 -2.46 0.06 0.00 -0.11 0.00 0.00 41.96 39.37 1x2k s TYR 33 CO 0.01 -0.63 0.22 0.42 -1.11 0.00 0.00 175.55 174.46 1x2k s ILE 34 N 1.57 4.18 -0.04 2.71 -1.09 -0.17 -1.49 121.20 126.87 1x2k s ILE 34 Ca 0.03 -1.28 0.14 0.00 -2.23 0.00 0.00 60.65 57.31 1x2k s ILE 34 Cb -0.19 -3.49 -0.22 0.00 -1.58 0.00 0.00 42.46 36.98 1x2k s ILE 34 CO 0.07 -0.41 0.27 0.35 -1.23 0.00 0.00 174.94 173.99 1x2k n THR 35 N 4.90 0.20 -4.30 2.92 -2.24 -1.22 -1.54 114.28 112.99 1x2k n THR 35 Ca -0.11 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 1x2k n THR 35 Cb 0.44 -0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.90 3.39 -0.37 3.42 1.11 -1.20 -4.96 116.67 114.15 1x2k s ASP 36 Ca -0.06 -0.57 0.12 0.00 0.18 0.00 0.00 52.55 52.22 1x2k s ASP 36 Cb 0.08 -1.52 0.45 0.00 1.07 0.00 0.00 42.92 43.00 1x2k s ASP 36 CO 0.60 0.03 1.05 0.23 1.18 0.00 0.00 175.17 178.26 1x2k n MET 37 N 4.40 2.34 -0.04 8.23 2.81 -1.26 -2.36 117.12 131.24 1x2k n MET 37 Ca -0.20 -3.88 -0.12 0.00 -1.81 0.00 0.00 57.70 51.69 1x2k n MET 37 Cb 0.51 -1.77 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 2.74 0.22 -3.47 7.83 0.87 -1.95 -3.39 113.55 116.40 1x2k h SER 38 Ca 0.10 -0.28 -0.71 0.00 -1.23 0.00 0.00 61.79 59.67 1x2k h SER 38 Cb 1.10 -0.06 -0.30 0.00 -0.44 0.00 0.00 62.40 62.70 1x2k h SER 38 CO 0.65 0.45 -0.50 -1.81 -0.53 0.00 0.00 176.83 175.09 1x2k s ASP 39 N -5.70 5.51 0.63 6.23 1.01 -1.25 -4.94 116.67 118.16 1x2k s ASP 39 Ca -0.14 -1.62 0.24 0.00 0.71 0.00 0.00 52.55 51.74 1x2k s ASP 39 Cb 0.06 -1.94 1.21 0.00 1.01 0.00 0.00 42.92 43.26 1x2k s ASP 39 CO 0.71 -0.53 1.67 0.71 0.21 0.00 0.00 175.17 177.93 1x2k h THR 40 N 6.17 0.13 0.21 -1.27 1.35 -1.99 0.40 112.91 117.91 1x2k h THR 40 Ca -0.21 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.32 1x2k h THR 40 Cb 1.07 0.44 0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1x2k h THR 40 CO 0.74 0.00 -1.54 0.78 -0.25 0.00 0.00 175.52 175.24 1x2k h ASN 41 N 0.00 0.70 -3.54 5.36 2.35 -1.94 -3.38 115.58 115.13 1x2k h ASN 41 Ca 0.15 -0.93 -0.60 0.00 -0.55 0.00 0.00 56.30 54.38 1x2k h ASN 41 Cb 1.42 -0.23 -0.38 0.00 0.05 0.00 0.00 38.32 39.18 1x2k h ASN 41 CO -0.00 1.72 -0.79 0.26 -1.65 0.00 0.00 177.43 176.97 1x2k s TRP 42 N -2.57 2.20 0.39 1.19 0.52 0.14 -3.80 118.94 117.00 1x2k s TRP 42 Ca -0.13 -1.57 0.05 0.00 0.02 0.00 0.00 56.10 54.46 1x2k s TRP 42 Cb 0.04 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.85 1x2k s TRP 42 CO 0.89 -0.74 0.56 -1.58 0.02 0.00 0.00 176.95 176.10 1x2k s TRP 43 N 1.46 3.10 -0.20 -1.98 0.51 0.47 -3.81 118.94 118.49 1x2k s TRP 43 Ca -0.04 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 1x2k s TRP 43 Cb -0.18 -2.17 0.05 0.00 -0.81 0.00 0.00 33.47 30.35 1x2k s TRP 43 CO -0.07 -0.21 -0.08 0.21 -0.51 0.00 0.00 176.95 176.30 1x2k s LYS 44 N -4.34 1.78 0.28 4.98 2.20 -1.00 0.29 119.74 123.94 1x2k s LYS 44 Ca 0.48 -0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 55.20 1x2k s LYS 44 Cb -0.10 -2.36 -0.00 0.00 -1.51 0.00 0.00 37.83 33.86 1x2k s LYS 44 CO 0.34 -0.47 0.48 0.20 -0.36 0.00 0.00 175.35 175.54 1x2k s GLY 45 N 1.46 0.87 -0.13 5.54 0.00 -1.13 -3.28 107.32 110.65 1x2k s GLY 45 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.59 1x2k s GLY 45 CO -0.08 -0.76 -0.13 -1.59 0.00 0.00 0.00 173.10 170.54 1x2k s THR 46 N -3.60 1.46 0.00 0.90 2.01 -0.56 -2.77 115.64 113.08 1x2k s THR 46 Ca 0.25 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1x2k s THR 46 Cb -0.00 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1x2k s THR 46 CO 0.13 0.44 0.00 -0.24 -0.69 0.00 0.00 174.62 174.26 1x2k n SER 47 N 4.67 0.00 -4.32 3.53 2.88 -1.18 -2.33 113.62 116.87 1x2k n SER 47 Ca -0.17 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.91 1x2k n SER 47 Cb 0.50 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.30 3.08 -0.69 -1.46 2.20 -1.26 -4.69 119.74 116.62 1x2k s LYS 48 Ca 0.00 -1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 53.77 1x2k s LYS 48 Cb 0.00 -4.32 0.07 0.00 -1.51 0.00 0.00 37.83 32.07 1x2k s LYS 48 CO 0.00 -1.35 0.18 0.41 -0.36 0.00 0.00 175.35 174.23 1x2k n GLY 49 N 5.09 -0.13 3.23 5.54 0.00 -1.26 -4.80 105.19 112.86 1x2k n GLY 49 Ca -0.10 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.63 0.78 -0.23 1.61 0.52 -1.26 -5.14 118.95 111.59 1x2k s ARG 50 Ca 0.26 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.87 1x2k s ARG 50 Cb -0.15 0.33 0.07 0.00 0.52 0.00 0.00 34.95 35.72 1x2k s ARG 50 CO 0.39 -0.24 0.06 0.99 0.02 0.00 0.00 175.30 176.51 1x2k s THR 51 N -2.64 0.56 0.19 0.02 2.01 -1.26 -3.11 115.64 111.42 1x2k s THR 51 Ca -0.04 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1x2k s THR 51 Cb -0.01 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1x2k s THR 51 CO -0.04 -0.35 0.28 0.61 -0.69 0.00 0.00 174.62 174.43 1x2k n GLY 52 N 5.02 2.44 3.78 4.40 0.00 -1.11 -5.00 105.19 114.72 1x2k n GLY 52 Ca -0.07 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 3.98 -0.03 0.99 1.43 0.65 -2.82 118.68 122.88 1x2k s LEU 53 Ca 0.15 2.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1x2k s LEU 53 Cb -0.01 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1x2k s LEU 53 CO 0.11 -0.75 0.06 -0.63 0.23 0.00 0.00 176.35 175.37 1x2k s ILE 54 N -1.75 -0.03 0.23 -0.59 1.01 0.15 0.29 121.20 120.50 1x2k s ILE 54 Ca 0.64 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1x2k s ILE 54 Cb -0.22 -0.11 -0.09 0.00 0.01 0.00 0.00 42.46 42.05 1x2k s ILE 54 CO 0.26 0.05 1.28 -2.16 0.00 0.00 0.00 174.94 174.37 1x2k s PRO 55 N 0.68 4.42 -0.10 2.79 0.04 -1.26 -0.39 135.00 141.17 1x2k s PRO 55 Ca -0.05 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.06 1x2k s PRO 55 Cb -0.08 -3.17 0.23 0.00 0.04 0.00 0.00 34.50 31.52 1x2k s PRO 55 CO -0.02 -0.18 1.03 0.45 0.04 0.00 0.00 177.00 178.32 1x2k n SER 56 N 2.13 2.75 -0.00 6.66 2.88 -1.25 -3.34 113.62 123.44 1x2k n SER 56 Ca 0.04 -2.36 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 1x2k n SER 56 Cb 0.43 -0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.12 4.23 -0.51 -3.46 3.02 -1.26 -4.62 115.26 112.78 1x2k n ASN 57 Ca 0.12 -0.07 0.11 0.00 -0.03 0.00 0.00 54.58 54.71 1x2k n ASN 57 Cb 0.66 1.01 0.06 0.00 -0.61 0.00 0.00 39.78 40.89 1x2k n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1x2k n TYR 58 N -1.43 0.00 -4.47 3.10 4.02 -1.21 -4.94 117.16 112.22 1x2k n TYR 58 Ca -0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 1x2k n TYR 58 Cb 0.00 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.21 1x2k n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1x2k s VAL 59 N -2.43 1.58 -0.02 -0.72 -7.23 -1.25 0.12 120.40 110.45 1x2k s VAL 59 Ca 0.20 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1x2k s VAL 59 Cb 0.18 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1x2k s VAL 59 CO 0.54 -0.15 0.26 0.00 -0.31 0.00 0.00 175.10 175.44 1x2k s ALA 60 N -3.04 -0.66 -0.09 1.32 0.00 -0.59 -4.83 121.76 113.88 1x2k s ALA 60 Ca 0.33 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1x2k s ALA 60 Cb 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 1x2k s ALA 60 CO 0.14 -0.23 2.02 -2.00 0.00 0.00 0.00 175.76 175.68 1x2k s GLU 61 N -1.19 3.73 0.19 0.00 2.12 -1.26 -1.90 118.70 120.39 1x2k s GLU 61 Ca -0.12 2.28 -0.30 0.00 0.36 0.00 0.00 54.97 57.19 1x2k s GLU 61 Cb -0.06 -4.22 -0.08 0.00 0.26 0.00 0.00 34.13 30.03 1x2k s GLU 61 CO 0.03 -1.42 1.18 -0.65 -0.54 0.00 0.00 175.26 173.87 1x2k s GLN 62 N 5.18 4.51 -0.02 4.30 -1.52 -0.88 -4.94 119.66 126.29 1x2k s GLN 62 Ca 0.91 1.85 -0.08 0.00 -1.95 0.00 0.00 55.36 56.09 1x2k s GLN 62 Cb -0.37 -3.24 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 1x2k s GLN 62 CO 0.37 -0.06 0.18 -1.12 -0.25 0.00 0.00 175.29 174.41 1x2k s SER 63 N 0.09 -0.06 -0.40 5.90 0.01 -1.26 -4.92 113.70 113.06 1x2k s SER 63 Ca 0.52 -0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1x2k s SER 63 Cb -0.32 0.27 0.20 0.00 0.21 0.00 0.00 66.02 66.37 1x2k s SER 63 CO 0.36 -0.32 0.93 -0.83 0.41 0.00 0.00 173.24 173.80 1x2k s GLY 64 N -1.06 -1.59 -0.07 3.44 0.00 -1.26 -5.13 107.32 101.65 1x2k s GLY 64 Ca -0.11 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 1x2k s GLY 64 CO 0.02 4.05 1.51 2.56 0.00 0.00 0.00 173.10 181.24 1x2k s PRO 65 N 1.25 4.21 0.47 2.90 0.04 -1.26 -5.01 135.00 137.60 1x2k s PRO 65 Ca 0.23 2.02 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 1x2k s PRO 65 Cb 0.05 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.65 1x2k s PRO 65 CO -0.09 -0.77 0.93 -1.12 0.04 0.00 0.00 177.00 175.99 1x2k s SER 66 N 2.74 6.69 0.02 6.66 0.01 -1.26 -5.00 113.70 123.56 1x2k s SER 66 Ca 0.67 1.52 -0.18 0.00 1.31 0.00 0.00 55.95 59.26 1x2k s SER 66 Cb -0.30 -2.48 -0.23 0.00 0.21 0.00 0.00 66.02 63.21 1x2k s SER 66 CO 0.25 -0.49 1.12 -1.28 0.41 0.00 0.00 173.24 173.25 1x2k h SER 67 N 1.25 0.63 0.00 2.44 0.87 -2.09 -3.58 113.55 113.08 1x2k h SER 67 Ca -0.47 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.33 1x2k h SER 67 Cb 1.18 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1x2k h SER 67 CO 0.62 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 178.84