#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 4.22 -0.07 0.03 1.00 -1.26 -5.05 119.30 118.17 2jra s MET 2 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 55.69 56.23 2jra s MET 2 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 34.83 31.29 2jra s MET 2 CO 0.00 -0.20 0.18 -0.08 0.00 0.00 0.00 175.02 174.92 2jra s THR 3 N 1.78 -0.02 -0.32 2.05 -1.32 -1.26 -5.12 115.64 111.42 2jra s THR 3 Ca 0.28 0.08 -0.28 0.00 -1.21 0.00 0.00 61.69 60.56 2jra s THR 3 Cb -0.16 -0.27 0.02 0.00 -1.51 0.00 0.00 72.50 70.57 2jra s THR 3 CO 0.11 0.03 1.03 0.00 -2.21 0.00 0.00 174.62 173.58 2jra s ALA 4 N 0.61 3.49 -0.02 11.08 0.00 -1.26 -5.01 121.76 130.66 2jra s ALA 4 Ca -0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2jra s ALA 4 Cb -0.06 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.46 2jra s ALA 4 CO -0.03 -1.46 0.26 -1.12 0.00 0.00 0.00 175.76 173.40 2jra s SER 5 N 1.67 -0.15 -0.29 0.00 0.01 -1.26 -5.10 113.70 108.58 2jra s SER 5 Ca 0.43 0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.48 2jra s SER 5 Cb -0.12 0.32 -0.06 0.00 0.21 0.00 0.00 66.02 66.36 2jra s SER 5 CO 0.15 -0.38 2.27 -0.90 0.41 0.00 0.00 173.24 174.79 2jra n ASP 6 N 1.54 2.92 -4.53 2.44 5.75 -1.26 -4.91 116.55 118.50 2jra n ASP 6 Ca -0.21 0.08 -0.43 0.00 -0.01 0.00 0.00 54.79 54.23 2jra n ASP 6 Cb 0.56 -1.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.06 2jra n ASP 6 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2jra s ARG 7 N 6.76 3.38 -0.29 0.11 3.52 -1.26 -4.46 118.95 126.71 2jra s ARG 7 Ca 1.02 -0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 56.38 2jra s ARG 7 Cb -0.37 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.10 2jra s ARG 7 CO 0.35 -0.99 0.06 1.28 -0.81 0.00 0.00 175.30 175.19 2jra n LEU 8 N 6.35 -7.41 -3.61 -0.88 4.32 -1.26 -5.07 117.00 109.44 2jra n LEU 8 Ca -0.00 1.20 -0.14 0.00 -0.02 0.00 0.00 56.01 57.04 2jra n LEU 8 Cb 0.48 -3.12 -0.13 0.00 -1.62 0.00 0.00 43.42 39.03 2jra n LEU 8 CO 0.54 -2.81 -0.15 -0.83 -1.22 0.00 0.00 177.39 172.93 2jra s GLY 9 N -1.57 -0.10 0.33 -0.72 0.00 -1.26 -5.16 107.32 98.84 2jra s GLY 9 Ca 0.03 0.79 0.08 0.00 0.00 0.00 0.00 44.72 45.61 2jra s GLY 9 CO 0.70 2.03 -0.05 0.00 0.00 0.00 0.00 173.10 175.78 2jra s ALA 10 N 2.40 2.73 -0.37 3.20 0.00 -1.26 -5.13 121.76 123.33 2jra s ALA 10 Ca 0.03 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 49.92 2jra s ALA 10 Cb -0.13 0.13 0.10 0.00 0.00 0.00 0.00 23.12 23.22 2jra s ALA 10 CO -0.09 -0.04 0.13 -0.51 0.00 0.00 0.00 175.76 175.25 2jra s ASP 11 N -3.56 5.09 0.88 0.00 1.01 -1.26 -5.11 116.67 113.73 2jra s ASP 11 Ca 0.32 -1.89 -0.09 0.00 0.71 0.00 0.00 52.55 51.61 2jra s ASP 11 Cb 0.05 -1.77 0.16 0.00 1.01 0.00 0.00 42.92 42.37 2jra s ASP 11 CO 0.15 -0.45 1.00 -0.81 0.21 0.00 0.00 175.17 175.27 2jra n PRO 12 N 4.54 -0.67 -3.70 8.23 -0.04 -1.26 -5.13 135.00 136.97 2jra n PRO 12 Ca -0.03 -1.92 -0.14 0.00 -0.04 0.00 0.00 63.50 61.37 2jra n PRO 12 Cb 0.42 -0.91 -0.09 0.00 -0.04 0.00 0.00 33.50 32.87 2jra n PRO 12 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jra s THR 13 N -3.08 0.00 -0.63 0.52 -1.32 -1.26 -5.02 115.64 104.86 2jra s THR 13 Ca 0.60 -0.03 0.24 0.00 -1.21 0.00 0.00 61.69 61.29 2jra s THR 13 Cb -0.02 -0.70 0.09 0.00 -1.51 0.00 0.00 72.50 70.36 2jra s THR 13 CO 0.41 -0.02 1.38 0.06 -2.21 0.00 0.00 174.62 174.25 2jra h GLN 14 N 5.15 0.00 -6.11 7.08 3.07 -2.08 -3.45 115.11 118.77 2jra h GLN 14 Ca -0.28 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.88 2jra h GLN 14 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 2jra h GLN 14 CO 0.22 0.00 1.40 0.00 0.09 0.00 0.00 178.83 180.54 2jra s ALA 15 N -3.17 2.80 0.10 0.06 0.00 -1.26 -4.92 121.76 115.38 2jra s ALA 15 Ca 0.07 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 2jra s ALA 15 Cb 0.13 -4.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 2jra s ALA 15 CO 0.70 -2.70 1.67 0.00 0.00 0.00 0.00 175.76 175.43 2jra s ALA 16 N 7.65 3.73 -0.97 0.00 0.00 -1.26 -4.86 121.76 126.05 2jra s ALA 16 Ca 0.92 1.30 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 2jra s ALA 16 Cb -0.29 -3.69 -0.11 0.00 0.00 0.00 0.00 23.12 19.03 2jra s ALA 16 CO 0.35 -1.05 2.10 -1.12 0.00 0.00 0.00 175.76 176.04 2jra s SER 17 N 2.13 4.47 -0.58 0.00 0.01 -1.26 -4.88 113.70 113.59 2jra s SER 17 Ca 0.74 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 57.17 2jra s SER 17 Cb -0.42 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.39 2jra s SER 17 CO 0.33 -3.49 0.46 -0.44 0.41 0.00 0.00 173.24 170.51 2jra s SER 18 N 8.56 5.84 -0.08 2.44 0.01 -1.26 -4.91 113.70 124.29 2jra s SER 18 Ca 0.78 -2.27 0.16 0.00 1.31 0.00 0.00 55.95 55.92 2jra s SER 18 Cb -0.07 -2.03 0.60 0.00 0.21 0.00 0.00 66.02 64.74 2jra s SER 18 CO 0.08 -0.61 1.49 -0.81 0.41 0.00 0.00 173.24 173.80 2jra n PRO 19 N 4.42 3.16 -0.12 12.44 -0.04 -1.26 -5.06 135.00 148.53 2jra n PRO 19 Ca -0.00 -2.37 0.02 0.00 -0.04 0.00 0.00 63.50 61.10 2jra n PRO 19 Cb 0.41 -1.74 -0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2jra n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jra n GLY 20 N 1.09 -1.82 1.91 0.55 0.00 -1.26 -5.06 105.19 100.60 2jra n GLY 20 Ca 0.22 -1.32 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.51 1.55 3.53 -0.02 0.00 -1.26 -5.14 105.19 103.33 2jra n GLY 21 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.59 3.33 0.03 4.61 0.00 -1.26 -5.08 121.76 121.80 2jra s ALA 22 Ca 0.09 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2jra s ALA 22 Cb -0.02 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2jra s ALA 22 CO 0.06 -0.40 -0.12 -0.98 0.00 0.00 0.00 175.76 174.32 2jra s ARG 23 N 1.46 0.84 -0.39 0.00 1.70 -1.26 -5.12 118.95 116.18 2jra s ARG 23 Ca 0.06 -0.68 -0.09 0.00 -0.47 0.00 0.00 55.73 54.56 2jra s ARG 23 Cb -0.15 -0.82 0.06 0.00 -0.57 0.00 0.00 34.95 33.48 2jra s ARG 23 CO 0.06 0.20 0.22 0.00 -1.08 0.00 0.00 175.30 174.69 2jra s ALA 24 N -0.80 3.23 -0.02 7.88 0.00 -1.26 -5.08 121.76 125.72 2jra s ALA 24 Ca 0.01 -2.01 -0.03 0.00 0.00 0.00 0.00 51.96 49.93 2jra s ALA 24 Cb -0.07 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2jra s ALA 24 CO 0.01 -1.55 0.15 0.14 0.00 0.00 0.00 175.76 174.51 2jra s VAL 25 N 1.43 5.24 0.21 0.00 -7.23 -1.26 -5.11 120.40 113.68 2jra s VAL 25 Ca 0.02 -0.19 0.07 0.00 -1.81 0.00 0.00 61.98 60.07 2jra s VAL 25 Cb -0.22 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2jra s VAL 25 CO 0.03 0.37 0.12 -0.94 -0.31 0.00 0.00 175.10 174.36 2jra s SER 26 N -1.78 5.26 -0.16 4.85 1.04 -1.26 -5.11 113.70 116.54 2jra s SER 26 Ca 0.25 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2jra s SER 26 Cb -0.12 -1.27 0.02 0.00 0.10 0.00 0.00 66.02 64.74 2jra s SER 26 CO 0.16 0.02 -0.19 -0.63 0.98 0.00 0.00 173.24 173.58 2jra s ILE 27 N -1.97 1.96 -0.54 -1.02 1.09 -1.26 -4.70 121.20 114.75 2jra s ILE 27 Ca 0.31 -0.89 -0.16 0.00 -1.10 0.00 0.00 60.65 58.81 2jra s ILE 27 Cb -0.09 -1.77 0.12 0.00 -1.06 0.00 0.00 42.46 39.67 2jra s ILE 27 CO 0.23 0.53 0.52 0.68 -0.10 0.00 0.00 174.94 176.79 2jra s VAL 28 N 1.20 5.16 0.00 2.92 -7.23 0.03 -4.73 120.40 117.76 2jra s VAL 28 Ca 0.02 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2jra s VAL 28 Cb -0.14 -4.35 0.00 0.00 0.56 0.00 0.00 36.38 32.45 2jra s VAL 28 CO -0.10 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.41 2jra n GLY 29 N 5.25 1.32 2.47 2.32 0.00 -1.26 -2.46 105.19 112.84 2jra n GLY 29 Ca -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 2.69 -1.24 -3.82 1.61 6.94 -1.26 -5.15 115.26 115.04 2jra n ASN 30 Ca 0.00 -2.02 -0.12 0.00 -0.02 0.00 0.00 54.58 52.43 2jra n ASN 30 Cb 0.00 0.60 -0.09 0.00 -2.36 0.00 0.00 39.78 37.93 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 0.11 0.65 -0.03 -3.83 0.74 -1.03 -5.16 119.66 111.10 2jra s GLN 31 Ca 0.08 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 2jra s GLN 31 Cb 0.37 0.28 0.08 0.00 1.10 0.00 0.00 33.01 34.83 2jra s GLN 31 CO -0.10 -0.18 0.73 -1.50 -0.55 0.00 0.00 175.29 173.69 2jra s ILE 32 N -1.92 0.00 -0.10 -2.34 2.07 -1.26 -0.79 121.20 116.86 2jra s ILE 32 Ca -0.10 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.09 2jra s ILE 32 Cb -0.04 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 2jra s ILE 32 CO -0.00 0.00 0.09 -0.62 -1.91 0.00 0.00 174.94 172.50 2jra s ASP 33 N -1.50 5.94 0.55 4.50 -1.08 -1.26 -4.99 116.67 118.83 2jra s ASP 33 Ca -0.07 0.34 0.22 0.00 -0.52 0.00 0.00 52.55 52.53 2jra s ASP 33 Cb -0.00 -1.84 1.47 0.00 -1.46 0.00 0.00 42.92 41.09 2jra s ASP 33 CO 0.04 0.39 2.14 0.77 0.52 0.00 0.00 175.17 179.03 2jra h SER 34 N 4.99 0.00 -0.91 -0.34 4.64 -2.02 -2.00 113.55 117.91 2jra h SER 34 Ca -0.53 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 2jra h SER 34 Cb 1.21 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 2jra h SER 34 CO 0.57 0.00 0.49 -0.09 -0.87 0.00 0.00 176.83 176.93 2jra h ARG 35 N 0.00 1.27 -0.90 4.77 9.65 -1.94 -1.36 114.38 125.86 2jra h ARG 35 Ca 0.05 -0.15 0.11 0.00 -1.10 0.00 0.00 59.98 58.89 2jra h ARG 35 Cb 0.23 -0.25 -0.08 0.00 -1.39 0.00 0.00 29.97 28.48 2jra h ARG 35 CO -0.00 0.93 0.54 0.93 2.80 0.00 0.00 179.97 185.16 2jra h GLU 36 N 1.27 0.85 0.05 0.20 4.39 -1.78 0.83 114.58 120.39 2jra h GLU 36 Ca 0.32 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 2jra h GLU 36 Cb 0.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2jra h GLU 36 CO -0.05 0.56 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.27 2jra h LEU 37 N 0.87 -0.06 -2.63 1.33 3.38 -1.56 -3.33 115.31 113.32 2jra h LEU 37 Ca 0.44 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2jra h LEU 37 Cb 0.43 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2jra h LEU 37 CO -0.26 0.63 0.00 0.49 0.09 0.00 0.00 178.44 179.39 2jra n PHE 38 N -4.79 1.32 0.26 1.13 3.72 -0.55 -4.33 117.46 114.22 2jra n PHE 38 Ca -0.08 -0.48 0.17 0.00 -0.05 0.00 0.00 57.45 57.00 2jra n PHE 38 Cb 0.32 -0.31 0.89 0.00 -0.94 0.00 0.00 39.48 39.44 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 2.90 0.46 0.00 4.37 1.03 0.58 -3.34 112.91 118.91 2jra h THR 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jra h THR 39 Cb 1.37 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 2jra h THR 39 CO 0.28 0.00 0.00 0.52 -0.01 0.00 0.00 175.52 176.31 2jra n VAL 40 N -3.76 1.11 -3.43 0.00 0.31 -1.26 -5.04 118.33 106.26 2jra n VAL 40 Ca -0.01 0.37 -0.39 0.00 -0.01 0.00 0.00 64.34 64.30 2jra n VAL 40 Cb 0.21 -1.52 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 2jra n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2jra s ASP 41 N -5.89 6.22 0.00 4.52 1.01 -1.25 -4.94 116.67 116.33 2jra s ASP 41 Ca 0.00 0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.58 2jra s ASP 41 Cb 0.00 -2.19 0.46 0.00 1.01 0.00 0.00 42.92 42.19 2jra s ASP 41 CO 0.00 -0.15 0.88 -1.14 0.21 0.00 0.00 175.17 174.97 2jra n ARG 42 N 5.20 0.29 -3.77 8.23 0.63 -1.26 -4.21 116.66 121.77 2jra n ARG 42 Ca -0.10 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.71 2jra n ARG 42 Cb 0.51 -1.41 -0.12 0.00 0.45 0.00 0.00 32.46 31.89 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jra s GLU 43 N -2.00 0.28 0.01 -0.14 2.12 -1.26 -1.49 118.70 116.22 2jra s GLU 43 Ca 0.11 0.41 0.06 0.00 0.36 0.00 0.00 54.97 55.91 2jra s GLU 43 Cb 0.05 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 2jra s GLU 43 CO 0.09 -0.07 -0.18 0.42 -0.54 0.00 0.00 175.26 174.98 2jra s ILE 44 N 0.44 1.41 -0.37 -3.70 -1.09 0.32 -4.99 121.20 113.23 2jra s ILE 44 Ca -0.03 -0.89 -0.14 0.00 -2.23 0.00 0.00 60.65 57.36 2jra s ILE 44 Cb -0.04 -1.20 -0.00 0.00 -1.58 0.00 0.00 42.46 39.64 2jra s ILE 44 CO -0.02 0.29 0.30 -0.69 -1.23 0.00 0.00 174.94 173.59 2jra s VAL 45 N -0.57 5.24 -0.45 2.92 1.01 -1.26 0.47 120.40 127.76 2jra s VAL 45 Ca 0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 2jra s VAL 45 Cb -0.07 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2jra s VAL 45 CO 0.00 -0.16 0.38 -0.63 0.00 0.00 0.00 175.10 174.69 2jra s ILE 46 N 1.81 5.22 0.07 2.22 1.01 0.21 -4.92 121.20 126.81 2jra s ILE 46 Ca 0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 2jra s ILE 46 Cb -0.18 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 2jra s ILE 46 CO 0.11 -0.49 0.77 0.00 0.00 0.00 0.00 174.94 175.32 2jra s ALA 47 N 1.73 3.39 -0.28 9.38 0.00 -1.26 0.10 121.76 134.82 2jra s ALA 47 Ca 0.05 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2jra s ALA 47 Cb -0.22 -2.98 0.15 0.00 0.00 0.00 0.00 23.12 20.07 2jra s ALA 47 CO 0.08 0.12 0.38 -1.58 0.00 0.00 0.00 175.76 174.76 2jra s HIS 48 N -0.30 -0.85 0.00 0.00 5.04 -0.81 -4.89 115.29 113.48 2jra s HIS 48 Ca 0.38 0.28 0.00 0.00 -1.54 0.00 0.00 55.06 54.18 2jra s HIS 48 Cb -0.21 -0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.21 2jra s HIS 48 CO 0.24 -0.93 0.00 0.41 -2.34 0.00 0.00 174.74 172.12 2jra n GLY 49 N 5.34 1.05 3.06 1.59 0.00 -1.26 -3.51 105.19 111.47 2jra n GLY 49 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.06 -3.74 -4.99 1.61 2.03 -1.26 -4.97 116.55 106.28 2jra n ASP 50 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 2jra n ASP 50 Cb 0.28 -2.54 0.02 0.00 -0.72 0.00 0.00 41.12 38.16 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jra s ASP 51 N -2.07 5.53 -0.12 1.67 2.15 -1.23 -5.11 116.67 117.48 2jra s ASP 51 Ca 0.00 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.85 2jra s ASP 51 Cb 0.00 -0.89 0.02 0.00 -0.30 0.00 0.00 42.92 41.74 2jra s ASP 51 CO 0.00 -0.90 -0.16 -0.13 -0.17 0.00 0.00 175.17 173.81 2jra s ARG 52 N -4.55 2.32 0.39 4.34 1.81 -1.26 -1.93 118.95 120.07 2jra s ARG 52 Ca 0.55 -0.59 0.08 0.00 -1.72 0.00 0.00 55.73 54.04 2jra s ARG 52 Cb -0.10 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 2jra s ARG 52 CO 0.36 -0.11 0.31 0.71 -0.68 0.00 0.00 175.30 175.89 2jra s TYR 53 N 1.12 2.73 -0.19 -0.53 1.51 0.12 -4.85 117.35 117.25 2jra s TYR 53 Ca -0.03 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2jra s TYR 53 Cb -0.14 -2.01 0.06 0.00 -0.11 0.00 0.00 41.96 39.76 2jra s TYR 53 CO -0.04 0.03 0.04 1.03 -1.11 0.00 0.00 175.55 175.50 2jra s ARG 54 N -4.04 0.58 -0.41 -0.62 0.52 0.19 -0.62 118.95 114.54 2jra s ARG 54 Ca 0.45 -0.39 -0.24 0.00 -0.52 0.00 0.00 55.73 55.03 2jra s ARG 54 Cb -0.03 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.38 2jra s ARG 54 CO 0.26 -0.65 0.86 -1.17 0.02 0.00 0.00 175.30 174.63 2jra s LEU 55 N 1.89 4.08 -0.02 2.53 2.96 0.18 -0.98 118.68 129.32 2jra s LEU 55 Ca -0.01 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 2jra s LEU 55 Cb -0.17 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 2jra s LEU 55 CO -0.08 -0.90 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.26 2jra s ARG 56 N 3.44 2.27 -0.16 1.98 3.52 -0.10 -0.52 118.95 129.37 2jra s ARG 56 Ca 0.34 -0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2jra s ARG 56 Cb -0.12 -2.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 2jra s ARG 56 CO 0.22 0.58 0.11 -1.17 -0.81 0.00 0.00 175.30 174.23 2jra s LEU 57 N -0.89 4.14 0.00 -0.88 0.20 -0.55 -0.67 118.68 120.03 2jra s LEU 57 Ca 0.12 0.27 -0.17 0.00 0.69 0.00 0.00 54.13 55.04 2jra s LEU 57 Cb -0.10 -2.04 0.25 0.00 -0.43 0.00 0.00 46.19 43.87 2jra s LEU 57 CO 0.01 0.27 0.85 0.35 -0.29 0.00 0.00 176.35 177.54 2jra n THR 58 N 2.90 0.00 -0.18 3.68 -2.24 -0.07 -4.87 114.28 113.50 2jra n THR 58 Ca -0.18 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 2jra n THR 58 Cb 0.53 -1.13 0.08 0.00 -2.10 0.00 0.00 70.33 67.71 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 -2.52 -0.05 0.00 3.42 0.87 -1.99 -3.41 113.55 109.87 2jra h SER 59 Ca -0.33 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 2jra h SER 59 Cb 1.02 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2jra h SER 59 CO 0.21 -0.00 -0.01 1.67 -0.53 0.00 0.00 176.83 178.17 2jra n GLN 60 N -5.15 0.00 -0.04 2.24 -0.06 -1.26 -5.05 117.38 108.07 2jra n GLN 60 Ca 0.07 -0.04 -0.03 0.00 -2.00 0.00 0.00 57.00 55.00 2jra n GLN 60 Cb 0.28 0.08 -0.01 0.00 -4.06 0.00 0.00 30.24 26.54 2jra n GLN 60 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jra n ASN 61 N 0.00 0.98 -0.28 1.69 4.05 -1.26 -5.11 115.26 115.32 2jra n ASN 61 Ca -0.01 0.45 0.00 0.00 0.45 0.00 0.00 54.58 55.47 2jra n ASN 61 Cb 0.18 -0.70 0.00 0.00 1.23 0.00 0.00 39.78 40.49 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2jra n LYS 62 N -3.53 0.00 -4.34 1.20 2.85 -1.26 -5.03 118.16 108.05 2jra n LYS 62 Ca -0.04 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.03 2jra n LYS 62 Cb 0.15 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.43 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 2.54 0.24 -5.58 2.34 -1.26 -0.89 118.68 116.06 2jra s LEU 63 Ca 0.00 -1.00 -0.09 0.00 0.06 0.00 0.00 54.13 53.10 2jra s LEU 63 Cb 0.00 -0.69 -0.01 0.00 -0.56 0.00 0.00 46.19 44.93 2jra s LEU 63 CO 0.00 -0.15 0.40 0.27 -1.06 0.00 0.00 176.35 175.80 2jra s ILE 64 N -2.85 0.00 -0.21 1.48 -5.25 0.15 -4.97 121.20 109.56 2jra s ILE 64 Ca 0.21 -1.56 0.01 0.00 -0.99 0.00 0.00 60.65 58.33 2jra s ILE 64 Cb -0.01 -2.30 0.04 0.00 2.95 0.00 0.00 42.46 43.14 2jra s ILE 64 CO 0.07 0.00 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.89 2jra s LEU 65 N -3.06 2.48 0.29 0.37 2.96 -1.26 -0.92 118.68 119.54 2jra s LEU 65 Ca 0.27 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2jra s LEU 65 Cb 0.01 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 2jra s LEU 65 CO 0.10 -0.15 0.16 0.28 -1.32 0.00 0.00 176.35 175.43 2jra s THR 66 N 1.34 0.30 0.00 3.68 -1.32 -0.15 -4.97 115.64 114.51 2jra s THR 66 Ca -0.02 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 2jra s THR 66 Cb -0.17 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 2jra s THR 66 CO -0.08 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.62