#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra s MET 2 N 0.00 2.41 0.00 0.03 1.00 -1.26 -4.80 119.30 116.68 2jra s MET 2 Ca 0.00 0.30 0.29 0.00 0.00 0.00 0.00 55.69 56.29 2jra s MET 2 Cb 0.00 -4.74 1.37 0.00 0.00 0.00 0.00 34.83 31.46 2jra s MET 2 CO 0.00 -3.28 1.98 0.25 0.00 0.00 0.00 175.02 173.97 2jra n THR 3 N 7.77 0.01 -4.26 2.05 -2.24 -1.26 -4.77 114.28 111.58 2jra n THR 3 Ca 0.34 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.95 2jra n THR 3 Cb 0.49 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 2jra n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jra s ALA 4 N -2.79 0.65 -0.10 6.98 0.00 -1.26 -5.14 121.76 120.11 2jra s ALA 4 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2jra s ALA 4 Cb 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2jra s ALA 4 CO 0.49 0.14 -0.08 0.45 0.00 0.00 0.00 175.76 176.76 2jra s SER 5 N -0.40 1.99 0.54 0.00 0.15 -1.26 -5.14 113.70 109.58 2jra s SER 5 Ca 0.01 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.31 2jra s SER 5 Cb -0.04 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.44 2jra s SER 5 CO -0.00 -0.08 0.88 -0.62 1.20 0.00 0.00 173.24 174.61 2jra s ASP 6 N 1.41 6.08 0.09 5.45 2.15 -1.26 -5.10 116.67 125.49 2jra s ASP 6 Ca -0.01 0.99 0.06 0.00 0.43 0.00 0.00 52.55 54.03 2jra s ASP 6 Cb -0.13 -2.17 -0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2jra s ASP 6 CO -0.05 -0.78 -0.17 0.00 -0.17 0.00 0.00 175.17 174.01 2jra s ARG 7 N -4.91 0.97 0.62 4.34 3.03 -1.26 -5.15 118.95 116.58 2jra s ARG 7 Ca 0.51 -1.08 -0.07 0.00 2.03 0.00 0.00 55.73 57.12 2jra s ARG 7 Cb -0.11 -1.06 0.01 0.00 -1.03 0.00 0.00 34.95 32.77 2jra s ARG 7 CO 0.47 0.24 0.94 -0.48 -1.13 0.00 0.00 175.30 175.34 2jra s LEU 8 N -1.91 3.15 0.26 -1.89 0.05 -1.26 -5.10 118.68 111.98 2jra s LEU 8 Ca 0.03 0.75 0.12 0.00 0.05 0.00 0.00 54.13 55.08 2jra s LEU 8 Cb -0.09 -3.56 -0.05 0.00 -2.05 0.00 0.00 46.19 40.44 2jra s LEU 8 CO 0.03 -1.15 -0.20 -0.83 -0.55 0.00 0.00 176.35 173.66 2jra s GLY 9 N -4.33 1.84 0.39 -3.48 0.00 -1.26 -5.15 107.32 95.33 2jra s GLY 9 Ca 0.55 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 43.51 2jra s GLY 9 CO 0.46 -1.88 0.18 0.00 0.00 0.00 0.00 173.10 171.85 2jra s ALA 10 N -2.30 2.62 -0.05 3.20 0.00 -1.26 -5.16 121.76 118.82 2jra s ALA 10 Ca 0.28 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 2jra s ALA 10 Cb -0.06 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2jra s ALA 10 CO 0.14 -0.44 0.09 0.16 0.00 0.00 0.00 175.76 175.71 2jra s ASP 11 N -3.54 0.43 0.00 0.00 -4.77 -1.26 -5.13 116.67 102.41 2jra s ASP 11 Ca 0.28 0.16 -0.30 0.00 -3.30 0.00 0.00 52.55 49.39 2jra s ASP 11 Cb 0.02 0.03 -0.06 0.00 -1.09 0.00 0.00 42.92 41.82 2jra s ASP 11 CO 0.18 -0.19 1.54 -2.84 0.70 0.00 0.00 175.17 174.57 2jra s PRO 12 N 1.60 4.23 0.30 2.11 0.02 -1.26 -5.02 135.00 136.98 2jra s PRO 12 Ca -0.03 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.04 2jra s PRO 12 Cb -0.12 -3.69 -0.06 0.00 0.02 0.00 0.00 34.50 30.65 2jra s PRO 12 CO -0.04 -0.70 0.60 -0.08 -0.33 0.00 0.00 177.00 176.45 2jra s THR 13 N 2.92 4.95 -0.11 0.99 -1.32 -1.26 -5.10 115.64 116.71 2jra s THR 13 Ca 0.69 0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 61.28 2jra s THR 13 Cb -0.34 -3.71 0.04 0.00 -1.51 0.00 0.00 72.50 66.98 2jra s THR 13 CO 0.29 -0.31 0.44 0.00 -2.21 0.00 0.00 174.62 172.82 2jra s GLN 14 N -3.46 0.64 -0.22 7.08 -2.07 -1.26 -5.14 119.66 115.22 2jra s GLN 14 Ca 0.46 0.32 -0.03 0.00 -1.82 0.00 0.00 55.36 54.30 2jra s GLN 14 Cb -0.11 0.30 0.07 0.00 -1.09 0.00 0.00 33.01 32.19 2jra s GLN 14 CO 0.28 -0.14 0.06 0.00 -1.32 0.00 0.00 175.29 174.18 2jra s ALA 15 N -0.44 0.99 -0.03 2.60 0.00 -1.26 -5.13 121.76 118.49 2jra s ALA 15 Ca -0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jra s ALA 15 Cb -0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 2jra s ALA 15 CO 0.03 -1.32 0.25 0.00 0.00 0.00 0.00 175.76 174.72 2jra s ALA 16 N 1.87 3.85 -0.35 0.00 0.00 -1.26 -5.07 121.76 120.80 2jra s ALA 16 Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2jra s ALA 16 Cb -0.17 -2.07 0.12 0.00 0.00 0.00 0.00 23.12 21.01 2jra s ALA 16 CO -0.15 0.63 0.18 -1.12 0.00 0.00 0.00 175.76 175.30 2jra s SER 17 N -1.47 3.36 -0.39 0.00 0.01 -1.26 -5.11 113.70 108.83 2jra s SER 17 Ca 0.24 -1.99 -0.21 0.00 1.31 0.00 0.00 55.95 55.30 2jra s SER 17 Cb -0.13 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.55 2jra s SER 17 CO 0.13 -0.34 0.66 -0.94 0.41 0.00 0.00 173.24 173.15 2jra s SER 18 N 1.24 6.40 0.57 2.44 1.04 -1.26 -4.93 113.70 119.20 2jra s SER 18 Ca 0.15 -0.02 0.28 0.00 0.48 0.00 0.00 55.95 56.84 2jra s SER 18 Cb -0.21 -2.33 1.49 0.00 0.10 0.00 0.00 66.02 65.07 2jra s SER 18 CO -0.11 -0.69 1.95 -0.65 0.98 0.00 0.00 173.24 174.72 2jra h PRO 19 N 8.64 0.00 0.00 4.02 0.11 -1.99 -3.47 132.00 139.31 2jra h PRO 19 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jra h PRO 19 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jra h PRO 19 CO 0.87 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 2jra n GLY 20 N -1.54 2.77 0.00 -0.55 0.00 -1.26 -4.78 105.19 99.83 2jra n GLY 20 Ca 0.09 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2jra n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jra n GLY 21 N 0.02 1.14 3.25 -0.02 0.00 -1.26 -4.88 105.19 103.44 2jra n GLY 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2jra n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 22 N -3.67 2.73 0.00 4.61 0.00 -1.26 -5.11 121.76 119.06 2jra s ALA 22 Ca 0.00 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.74 2jra s ALA 22 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 2jra s ALA 22 CO 0.00 -0.58 -0.23 -0.98 0.00 0.00 0.00 175.76 173.97 2jra s ARG 23 N 1.41 1.77 -0.22 0.00 1.70 -1.26 -5.12 118.95 117.22 2jra s ARG 23 Ca 0.04 -0.88 -0.07 0.00 -0.47 0.00 0.00 55.73 54.34 2jra s ARG 23 Cb -0.15 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.42 2jra s ARG 23 CO -0.05 0.48 0.06 0.00 -1.08 0.00 0.00 175.30 174.71 2jra s ALA 24 N -0.62 3.23 -0.03 7.88 0.00 -1.26 -5.09 121.76 125.87 2jra s ALA 24 Ca 0.09 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2jra s ALA 24 Cb -0.09 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2jra s ALA 24 CO 0.00 -0.19 -0.17 0.14 0.00 0.00 0.00 175.76 175.54 2jra s VAL 25 N 1.06 2.80 0.16 0.00 -7.23 -1.26 -5.13 120.40 110.80 2jra s VAL 25 Ca 0.04 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2jra s VAL 25 Cb -0.14 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2jra s VAL 25 CO 0.03 0.55 0.31 -0.44 -0.31 0.00 0.00 175.10 175.23 2jra s SER 26 N -0.82 6.35 -0.10 4.85 0.01 -1.26 -5.11 113.70 117.62 2jra s SER 26 Ca 0.12 0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.64 2jra s SER 26 Cb -0.10 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2jra s SER 26 CO 0.01 0.03 -0.21 -0.63 0.41 0.00 0.00 173.24 172.85 2jra s ILE 27 N -1.77 1.88 -0.69 1.44 -1.09 -1.26 -4.78 121.20 114.93 2jra s ILE 27 Ca 0.35 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 2jra s ILE 27 Cb -0.11 -1.64 0.17 0.00 -1.58 0.00 0.00 42.46 39.30 2jra s ILE 27 CO 0.29 0.52 0.64 0.68 -1.23 0.00 0.00 174.94 175.84 2jra s VAL 28 N 0.47 5.40 0.00 2.92 -7.23 -0.03 -4.80 120.40 117.13 2jra s VAL 28 Ca -0.17 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2jra s VAL 28 Cb -0.17 -4.41 0.00 0.00 0.56 0.00 0.00 36.38 32.36 2jra s VAL 28 CO 0.07 -0.96 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 2jra n GLY 29 N 4.61 1.86 0.42 2.32 0.00 -1.26 -1.63 105.19 111.52 2jra n GLY 29 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jra n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jra n ASN 30 N 3.73 0.00 -4.55 1.61 6.94 -1.26 -5.13 115.26 116.59 2jra n ASN 30 Ca 0.00 -1.25 -0.24 0.00 -0.02 0.00 0.00 54.58 53.07 2jra n ASN 30 Cb 0.00 -0.05 -0.09 0.00 -2.36 0.00 0.00 39.78 37.28 2jra n ASN 30 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2jra s GLN 31 N 0.00 1.97 0.01 -3.83 0.74 -0.65 -5.14 119.66 112.77 2jra s GLN 31 Ca 0.00 -1.58 -0.28 0.00 0.05 0.00 0.00 55.36 53.55 2jra s GLN 31 Cb 0.00 -1.97 0.09 0.00 1.10 0.00 0.00 33.01 32.23 2jra s GLN 31 CO 0.00 0.35 0.76 -1.50 -0.55 0.00 0.00 175.29 174.35 2jra s ILE 32 N -2.37 0.00 -0.07 -2.34 2.07 -1.26 -0.85 121.20 116.38 2jra s ILE 32 Ca 0.30 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.44 2jra s ILE 32 Cb -0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 2jra s ILE 32 CO 0.17 0.00 0.26 -1.81 -1.91 0.00 0.00 174.94 171.65 2jra s ASP 33 N -1.94 6.57 0.54 4.50 1.01 -1.26 -4.98 116.67 121.11 2jra s ASP 33 Ca -0.02 0.69 0.26 0.00 0.71 0.00 0.00 52.55 54.19 2jra s ASP 33 Cb -0.01 -2.15 1.54 0.00 1.01 0.00 0.00 42.92 43.31 2jra s ASP 33 CO -0.03 0.36 2.14 -1.28 0.21 0.00 0.00 175.17 176.57 2jra h SER 34 N 4.92 0.00 -0.20 0.27 0.87 -2.01 -2.36 113.55 115.04 2jra h SER 34 Ca -0.53 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 59.90 2jra h SER 34 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2jra h SER 34 CO 0.60 0.08 -0.31 0.03 -0.53 0.00 0.00 176.83 176.69 2jra h ARG 35 N 0.00 0.70 -0.71 2.24 2.47 -1.93 -0.56 114.38 116.59 2jra h ARG 35 Ca -0.00 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.38 2jra h ARG 35 Cb 0.19 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 2jra h ARG 35 CO 0.01 0.92 0.36 0.93 0.56 0.00 0.00 179.97 182.76 2jra h GLU 36 N 0.59 0.99 0.03 0.04 4.39 -1.84 0.27 114.58 119.05 2jra h GLU 36 Ca 0.07 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jra h GLU 36 Cb 0.83 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2jra h GLU 36 CO 0.07 0.75 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.58 2jra h LEU 37 N 1.00 -0.03 -3.60 1.33 3.38 -1.59 -3.36 115.31 112.43 2jra h LEU 37 Ca 0.25 -0.61 -0.43 0.00 0.09 0.00 0.00 57.88 57.18 2jra h LEU 37 Cb 0.06 0.01 -0.23 0.00 0.09 0.00 0.00 40.66 40.59 2jra h LEU 37 CO -0.04 0.74 0.55 0.49 0.09 0.00 0.00 178.44 180.27 2jra n PHE 38 N -4.72 2.40 -0.36 1.13 3.72 -0.23 -4.59 117.46 114.82 2jra n PHE 38 Ca -0.07 -1.80 0.04 0.00 -0.05 0.00 0.00 57.45 55.56 2jra n PHE 38 Cb 0.31 -0.90 0.20 0.00 -0.94 0.00 0.00 39.48 38.14 2jra n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jra h THR 39 N 0.83 1.06 0.00 4.37 1.03 -1.10 -3.37 112.91 115.73 2jra h THR 39 Ca 0.49 -0.39 -0.05 0.00 -0.01 0.00 0.00 66.41 66.44 2jra h THR 39 Cb 2.04 -0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 68.94 2jra h THR 39 CO 0.95 0.21 -1.18 0.52 -0.01 0.00 0.00 175.52 176.01 2jra n VAL 40 N -4.52 0.18 -2.54 0.00 0.31 -1.26 -5.07 118.33 105.43 2jra n VAL 40 Ca 0.16 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.30 2jra n VAL 40 Cb 0.21 -1.53 0.07 0.00 -0.91 0.00 0.00 33.84 31.69 2jra n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jra n ASP 41 N -3.13 0.91 -0.26 4.52 2.03 -1.26 -4.90 116.55 114.45 2jra n ASP 41 Ca -0.06 -1.74 0.03 0.00 0.52 0.00 0.00 54.79 53.53 2jra n ASP 41 Cb 0.55 -0.39 0.04 0.00 -0.72 0.00 0.00 41.12 40.60 2jra n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jra n ARG 42 N -2.11 0.65 -3.76 -0.67 1.74 -1.26 -4.55 116.66 106.69 2jra n ARG 42 Ca 0.10 -1.47 -0.13 0.00 -0.77 0.00 0.00 57.85 55.59 2jra n ARG 42 Cb 0.37 -0.85 -0.11 0.00 -1.02 0.00 0.00 32.46 30.85 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2jra s GLU 43 N -0.98 0.36 0.01 5.56 2.12 -1.26 -1.26 118.70 123.25 2jra s GLU 43 Ca 0.10 0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.92 2jra s GLU 43 Cb 0.09 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 2jra s GLU 43 CO 0.01 -0.05 -0.16 0.42 -0.54 0.00 0.00 175.26 174.94 2jra s ILE 44 N 0.22 1.28 -0.37 -3.70 -1.09 0.43 -4.98 121.20 113.00 2jra s ILE 44 Ca -0.00 -0.85 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 2jra s ILE 44 Cb -0.03 -1.10 0.04 0.00 -1.58 0.00 0.00 42.46 39.80 2jra s ILE 44 CO -0.00 0.23 0.17 -0.69 -1.23 0.00 0.00 174.94 173.41 2jra s VAL 45 N -0.58 4.15 -0.50 2.92 1.01 -1.26 -0.33 120.40 125.81 2jra s VAL 45 Ca 0.05 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 2jra s VAL 45 Cb -0.07 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.98 2jra s VAL 45 CO 0.00 -0.25 0.75 -0.63 0.00 0.00 0.00 175.10 174.97 2jra s ILE 46 N 1.46 4.68 0.14 2.22 1.01 0.18 -4.89 121.20 126.00 2jra s ILE 46 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 2jra s ILE 46 Cb -0.20 -4.36 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 2jra s ILE 46 CO 0.04 -0.85 0.80 0.00 0.00 0.00 0.00 174.94 174.93 2jra s ALA 47 N 3.18 3.41 -0.30 9.38 0.00 -1.26 -0.20 121.76 135.98 2jra s ALA 47 Ca 0.24 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 2jra s ALA 47 Cb -0.15 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.10 2jra s ALA 47 CO 0.17 0.21 0.30 -1.58 0.00 0.00 0.00 175.76 174.87 2jra s HIS 48 N -0.81 -0.46 0.00 0.00 5.04 -0.47 -4.94 115.29 113.64 2jra s HIS 48 Ca 0.38 -0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.67 2jra s HIS 48 Cb -0.23 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 31.94 2jra s HIS 48 CO 0.26 -0.93 0.00 0.41 -2.34 0.00 0.00 174.74 172.14 2jra n GLY 49 N 5.21 2.24 0.08 1.59 0.00 -1.26 -2.51 105.19 110.52 2jra n GLY 49 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2jra n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jra n ASP 50 N 9.33 0.41 -4.95 1.61 -0.08 -1.26 -4.97 116.55 116.64 2jra n ASP 50 Ca 0.00 0.18 -0.23 0.00 -1.51 0.00 0.00 54.79 53.23 2jra n ASP 50 Cb 0.00 0.85 0.01 0.00 2.34 0.00 0.00 41.12 44.31 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jra s ASP 51 N -5.38 5.93 -0.05 1.67 2.15 -1.05 -5.10 116.67 114.84 2jra s ASP 51 Ca -0.06 0.33 -0.00 0.00 0.43 0.00 0.00 52.55 53.25 2jra s ASP 51 Cb 0.09 -1.64 0.03 0.00 -0.30 0.00 0.00 42.92 41.09 2jra s ASP 51 CO 0.84 -0.62 -0.02 -0.13 -0.17 0.00 0.00 175.17 175.07 2jra s ARG 52 N -4.52 0.67 -0.14 4.34 0.52 -1.26 -1.37 118.95 117.18 2jra s ARG 52 Ca 0.47 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.65 2jra s ARG 52 Cb -0.10 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 2jra s ARG 52 CO 0.38 -0.19 -0.00 0.71 0.02 0.00 0.00 175.30 176.22 2jra s TYR 53 N 1.40 3.12 -0.34 -0.53 2.02 0.73 -4.81 117.35 118.93 2jra s TYR 53 Ca -0.04 -0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.47 2jra s TYR 53 Cb -0.13 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2jra s TYR 53 CO -0.03 0.15 0.21 1.03 -1.57 0.00 0.00 175.55 175.34 2jra s ARG 54 N 0.03 3.35 -0.33 -0.62 0.52 0.13 0.47 118.95 122.49 2jra s ARG 54 Ca 0.02 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 2jra s ARG 54 Cb -0.13 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 2jra s ARG 54 CO 0.02 -0.48 0.24 -1.17 0.02 0.00 0.00 175.30 173.93 2jra s LEU 55 N 1.67 4.45 -0.03 2.53 2.96 0.55 -0.45 118.68 130.35 2jra s LEU 55 Ca 0.05 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 2jra s LEU 55 Cb -0.18 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2jra s LEU 55 CO 0.09 -0.21 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.06 2jra s ARG 56 N 1.73 2.27 -0.00 1.98 3.52 -0.67 -0.42 118.95 127.36 2jra s ARG 56 Ca 0.06 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2jra s ARG 56 Cb -0.17 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.06 2jra s ARG 56 CO 0.11 0.53 0.02 -1.17 -0.81 0.00 0.00 175.30 173.97 2jra s LEU 57 N -0.52 3.58 0.00 -0.88 0.20 -0.39 -0.89 118.68 119.78 2jra s LEU 57 Ca 0.07 0.02 -0.13 0.00 0.69 0.00 0.00 54.13 54.78 2jra s LEU 57 Cb -0.11 -2.06 0.21 0.00 -0.43 0.00 0.00 46.19 43.80 2jra s LEU 57 CO 0.00 0.28 1.27 0.35 -0.29 0.00 0.00 176.35 177.96 2jra n THR 58 N 1.36 0.00 0.45 3.68 -2.24 0.40 -4.88 114.28 113.04 2jra n THR 58 Ca -0.14 -1.10 0.12 0.00 -2.27 0.00 0.00 64.05 60.66 2jra n THR 58 Cb 0.53 -1.39 0.22 0.00 -2.10 0.00 0.00 70.33 67.59 2jra n THR 58 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jra h SER 59 N -1.53 0.00 0.00 3.42 0.87 -2.00 -3.43 113.55 110.88 2jra h SER 59 Ca -0.41 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2jra h SER 59 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jra h SER 59 CO 0.31 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.65 2jra n GLN 60 N -2.46 0.00 0.00 2.24 10.64 -1.26 -5.07 117.38 121.47 2jra n GLN 60 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2jra n GLN 60 Cb 0.47 -0.23 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 2jra n GLN 60 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2jra n ASN 61 N -1.65 0.00 -0.54 2.61 3.02 -1.26 -5.09 115.26 112.35 2jra n ASN 61 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2jra n ASN 61 Cb 0.00 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2jra n LYS 62 N -1.84 0.00 -4.15 3.52 2.85 -1.26 -5.00 118.16 112.28 2jra n LYS 62 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jra n LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2jra s LEU 63 N 0.00 2.25 0.21 -5.58 2.34 -1.26 -0.46 118.68 116.18 2jra s LEU 63 Ca 0.00 -1.08 -0.04 0.00 0.06 0.00 0.00 54.13 53.06 2jra s LEU 63 Cb 0.00 0.13 -0.03 0.00 -0.56 0.00 0.00 46.19 45.73 2jra s LEU 63 CO 0.00 -0.60 0.23 0.27 -1.06 0.00 0.00 176.35 175.19 2jra s ILE 64 N -3.85 0.00 0.03 1.48 -5.25 -0.07 -4.99 121.20 108.55 2jra s ILE 64 Ca 0.15 -1.82 0.01 0.00 -0.99 0.00 0.00 60.65 58.00 2jra s ILE 64 Cb 0.07 -2.40 -0.04 0.00 2.95 0.00 0.00 42.46 43.04 2jra s ILE 64 CO -0.04 -0.01 0.07 -0.22 -1.79 0.00 0.00 174.94 172.96 2jra s LEU 65 N -3.12 3.82 0.24 0.37 2.96 -1.26 -1.67 118.68 120.03 2jra s LEU 65 Ca 0.34 0.07 -0.21 0.00 -0.22 0.00 0.00 54.13 54.11 2jra s LEU 65 Cb 0.05 -2.34 0.07 0.00 0.50 0.00 0.00 46.19 44.47 2jra s LEU 65 CO 0.11 0.23 0.95 0.28 -1.32 0.00 0.00 176.35 176.60 2jra s THR 66 N -1.26 0.00 0.00 3.68 -1.32 0.40 -4.98 115.64 112.16 2jra s THR 66 Ca 0.25 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 2jra s THR 66 Cb -0.12 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 2jra s THR 66 CO 0.17 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.87