#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 4.18 -0.28 2.12 0.00 -1.26 -5.00 119.30 119.06 2jra s MET 2 Ca 0.00 2.46 -0.05 0.00 0.00 0.00 0.00 55.69 58.10 2jra s MET 2 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 34.83 31.80 2jra s MET 2 CO 0.00 -0.53 0.03 0.95 0.00 0.00 0.00 175.02 175.48 2jra s THR 3 N -0.15 3.57 -0.31 10.11 -4.23 -1.26 -5.05 115.64 118.33 2jra s THR 3 Ca 0.60 -0.86 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2jra s THR 3 Cb -0.45 -2.86 0.20 0.00 1.34 0.00 0.00 72.50 70.73 2jra s THR 3 CO 0.48 0.09 0.59 0.00 -0.54 0.00 0.00 174.62 175.24 2jra s ALA 4 N 1.43 -2.39 -0.39 3.99 0.00 -1.26 -5.12 121.76 118.03 2jra s ALA 4 Ca 0.01 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 2jra s ALA 4 Cb -0.17 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.39 2jra s ALA 4 CO 0.00 -1.89 0.57 -1.12 0.00 0.00 0.00 175.76 173.32 2jra s SER 5 N 2.67 6.33 0.46 0.00 0.01 -1.26 -5.05 113.70 116.86 2jra s SER 5 Ca 0.11 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 2jra s SER 5 Cb -0.09 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 2jra s SER 5 CO -0.23 -0.61 1.36 -0.62 0.41 0.00 0.00 173.24 173.55 2jra s ASP 6 N 1.85 5.90 0.00 2.44 2.15 -1.26 -4.93 116.67 122.82 2jra s ASP 6 Ca 0.21 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.95 2jra s ASP 6 Cb -0.15 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2jra s ASP 6 CO 0.15 -1.14 0.63 -2.11 -0.17 0.00 0.00 175.17 172.54 2jra n ARG 7 N -0.28 1.02 -2.62 4.34 1.85 -1.26 -4.99 116.66 114.72 2jra n ARG 7 Ca 0.06 -0.82 -0.41 0.00 -1.00 0.00 0.00 57.85 55.67 2jra n ARG 7 Cb 0.43 -0.75 -0.03 0.00 -1.05 0.00 0.00 32.46 31.06 2jra n ARG 7 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jra s LEU 8 N -0.38 3.62 -0.22 2.89 1.43 -1.26 -4.79 118.68 119.98 2jra s LEU 8 Ca 0.00 -1.12 0.17 0.00 -1.03 0.00 0.00 54.13 52.15 2jra s LEU 8 Cb 0.00 -2.53 0.47 0.00 0.03 0.00 0.00 46.19 44.15 2jra s LEU 8 CO 0.00 -1.57 1.16 0.61 0.23 0.00 0.00 176.35 176.78 2jra n GLY 9 N 6.07 3.62 3.56 -3.19 0.00 -1.26 -5.00 105.19 108.99 2jra n GLY 9 Ca 0.18 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 10 N -2.98 2.05 -0.15 4.61 0.00 -1.26 -4.96 121.76 119.08 2jra s ALA 10 Ca 0.37 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.26 2jra s ALA 10 Cb 0.37 -4.55 -0.01 0.00 0.00 0.00 0.00 23.12 18.93 2jra s ALA 10 CO -0.04 -4.38 0.94 0.34 0.00 0.00 0.00 175.76 172.62 2jra s ASP 11 N 6.89 7.11 -1.20 0.00 2.15 -1.26 -4.94 116.67 125.42 2jra s ASP 11 Ca 0.61 1.37 -0.08 0.00 0.43 0.00 0.00 52.55 54.88 2jra s ASP 11 Cb -0.04 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2jra s ASP 11 CO -0.04 -0.46 2.44 -0.81 -0.17 0.00 0.00 175.17 176.13 2jra n PRO 12 N 5.29 2.72 0.06 4.34 -0.04 -1.26 -4.61 135.00 141.50 2jra n PRO 12 Ca 0.08 -1.79 0.02 0.00 -0.04 0.00 0.00 63.50 61.77 2jra n PRO 12 Cb 0.48 -2.62 0.39 0.00 -0.04 0.00 0.00 33.50 31.71 2jra n PRO 12 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jra h THR 13 N 3.31 1.15 -2.94 0.52 2.02 -2.01 -3.40 112.91 111.57 2jra h THR 13 Ca 0.65 -0.56 -0.57 0.00 0.77 0.00 0.00 66.41 66.70 2jra h THR 13 Cb 0.23 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 2jra h THR 13 CO 1.61 0.19 0.90 -1.58 0.37 0.00 0.00 175.52 177.01 2jra s GLN 14 N -5.04 4.21 -0.02 6.66 0.74 -1.26 -5.01 119.66 119.94 2jra s GLN 14 Ca -0.07 1.61 0.00 0.00 0.05 0.00 0.00 55.36 56.95 2jra s GLN 14 Cb 0.16 -3.76 0.02 0.00 1.10 0.00 0.00 33.01 30.53 2jra s GLN 14 CO 0.74 -0.73 0.02 0.00 -0.55 0.00 0.00 175.29 174.77 2jra s ALA 15 N 3.54 0.08 0.00 1.58 0.00 -1.26 -5.00 121.76 120.70 2jra s ALA 15 Ca 0.54 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2jra s ALA 15 Cb -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2jra s ALA 15 CO 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 175.76 175.83 2jra n ALA 16 N 3.89 0.00 -2.00 0.00 0.00 -1.26 -4.75 120.51 116.39 2jra n ALA 16 Ca -0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.02 2jra n ALA 16 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2jra n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jra n SER 17 N 2.26 -4.98 -3.96 0.00 7.64 -1.26 -4.92 113.62 108.40 2jra n SER 17 Ca 0.00 0.24 -0.30 0.00 1.01 0.00 0.00 58.87 59.81 2jra n SER 17 Cb 0.00 -4.30 -0.13 0.00 -1.01 0.00 0.00 64.21 58.77 2jra n SER 17 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jra s SER 18 N -2.26 4.44 0.49 6.43 0.01 -1.26 -5.10 113.70 116.44 2jra s SER 18 Ca 0.00 -3.10 -0.18 0.00 1.31 0.00 0.00 55.95 53.98 2jra s SER 18 Cb 0.00 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.49 2jra s SER 18 CO 0.00 -0.22 0.98 -2.16 0.41 0.00 0.00 173.24 172.25 2jra s PRO 19 N -0.41 3.99 -0.31 12.44 0.04 -1.26 -5.03 135.00 144.46 2jra s PRO 19 Ca 0.18 1.07 0.16 0.00 0.04 0.00 0.00 61.00 62.44 2jra s PRO 19 Cb -0.23 -2.14 0.47 0.00 0.04 0.00 0.00 34.50 32.64 2jra s PRO 19 CO -0.02 -0.24 1.09 0.41 0.04 0.00 0.00 177.00 178.28 2jra n GLY 20 N -1.09 3.35 0.17 0.56 0.00 -1.26 -4.85 105.19 102.07 2jra n GLY 20 Ca 0.07 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2jra n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jra h GLY 21 N 2.60 -0.35 -7.15 -0.02 0.00 -2.07 -3.37 103.07 92.71 2jra h GLY 21 Ca 0.05 0.13 -0.60 0.00 0.00 0.00 0.00 47.33 46.90 2jra h GLY 21 CO 0.48 -0.13 0.64 0.00 0.00 0.00 0.00 176.54 177.53 2jra s ALA 22 N -4.99 3.09 -0.24 3.60 0.00 -1.26 -5.02 121.76 116.94 2jra s ALA 22 Ca -0.15 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.30 2jra s ALA 22 Cb 0.03 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2jra s ALA 22 CO 0.58 -2.59 0.36 1.03 0.00 0.00 0.00 175.76 175.14 2jra s ARG 23 N 4.23 4.08 -0.44 0.00 0.52 -1.26 -5.05 118.95 121.04 2jra s ARG 23 Ca 0.30 0.08 -0.17 0.00 -0.52 0.00 0.00 55.73 55.42 2jra s ARG 23 Cb -0.13 -3.60 0.03 0.00 0.52 0.00 0.00 34.95 31.78 2jra s ARG 23 CO 0.17 -0.15 0.42 0.00 0.02 0.00 0.00 175.30 175.76 2jra s ALA 24 N 1.68 3.46 0.04 2.13 0.00 -1.26 -5.07 121.76 122.74 2jra s ALA 24 Ca 0.16 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.47 2jra s ALA 24 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2jra s ALA 24 CO 0.09 -1.64 -0.02 0.14 0.00 0.00 0.00 175.76 174.32 2jra s VAL 25 N 2.02 3.93 0.21 0.00 -7.23 -1.26 -5.13 120.40 112.94 2jra s VAL 25 Ca 0.10 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.52 2jra s VAL 25 Cb -0.19 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2jra s VAL 25 CO 0.11 0.28 0.08 -0.94 -0.31 0.00 0.00 175.10 174.32 2jra s SER 26 N -1.82 5.09 -0.13 4.85 1.04 -1.26 -5.12 113.70 116.35 2jra s SER 26 Ca 0.21 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2jra s SER 26 Cb -0.11 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.84 2jra s SER 26 CO 0.12 0.03 -0.21 -0.63 0.98 0.00 0.00 173.24 173.53 2jra s ILE 27 N -1.97 1.99 -0.62 -1.02 1.09 -1.26 -4.75 121.20 114.66 2jra s ILE 27 Ca 0.31 -0.94 -0.16 0.00 -1.10 0.00 0.00 60.65 58.75 2jra s ILE 27 Cb -0.08 -1.76 0.15 0.00 -1.06 0.00 0.00 42.46 39.71 2jra s ILE 27 CO 0.22 0.54 0.59 0.68 -0.10 0.00 0.00 174.94 176.86 2jra s VAL 28 N 0.78 5.28 0.00 2.92 -7.23 -0.29 -4.73 120.40 117.13 2jra s VAL 28 Ca -0.08 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2jra s VAL 28 Cb -0.16 -4.39 0.00 0.00 0.56 0.00 0.00 36.38 32.40 2jra s VAL 28 CO -0.01 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 2jra n GLY 29 N 4.94 2.08 0.45 2.32 0.00 -1.26 -1.89 105.19 111.82 2jra n GLY 29 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 4.03 0.00 -4.73 1.61 6.94 -1.26 -5.14 115.26 116.72 2jra n ASN 30 Ca 0.00 -1.12 -0.23 0.00 -0.02 0.00 0.00 54.58 53.21 2jra n ASN 30 Cb 0.00 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 2.59 -0.04 -3.83 -0.44 -0.79 -5.11 119.66 112.03 2jra s GLN 31 Ca 0.00 -1.19 -0.30 0.00 -2.50 0.00 0.00 55.36 51.36 2jra s GLN 31 Cb 0.00 -2.38 0.08 0.00 -1.64 0.00 0.00 33.01 29.07 2jra s GLN 31 CO 0.00 0.40 0.72 -1.50 0.50 0.00 0.00 175.29 175.41 2jra s ILE 32 N -2.12 0.00 -0.13 -2.34 2.07 -1.26 -1.13 121.20 116.29 2jra s ILE 32 Ca 0.31 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.42 2jra s ILE 32 Cb -0.08 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 2jra s ILE 32 CO 0.22 0.00 0.29 -0.62 -1.91 0.00 0.00 174.94 172.92 2jra s ASP 33 N -1.36 6.50 0.30 4.50 2.15 -1.26 -5.00 116.67 122.50 2jra s ASP 33 Ca -0.08 0.59 -0.02 0.00 0.43 0.00 0.00 52.55 53.47 2jra s ASP 33 Cb -0.00 -2.18 0.44 0.00 -0.30 0.00 0.00 42.92 40.88 2jra s ASP 33 CO 0.06 0.18 1.94 -1.28 -0.17 0.00 0.00 175.17 175.90 2jra h SER 34 N 6.09 0.91 0.24 -0.34 0.87 -2.01 -2.65 113.55 116.66 2jra h SER 34 Ca -0.45 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.01 2jra h SER 34 Cb 1.18 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2jra h SER 34 CO 0.71 0.70 -0.23 0.03 -0.53 0.00 0.00 176.83 177.51 2jra h ARG 35 N 1.05 0.00 -0.77 2.24 -0.00 -1.94 -1.13 114.38 113.83 2jra h ARG 35 Ca 0.27 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.80 2jra h ARG 35 Cb -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 29.88 2jra h ARG 35 CO -0.05 0.23 0.48 0.93 0.00 0.00 0.00 179.97 181.56 2jra h GLU 36 N 0.00 0.89 0.08 0.04 4.39 -1.90 -1.62 114.58 116.45 2jra h GLU 36 Ca -0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jra h GLU 36 Cb 0.41 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jra h GLU 36 CO 0.03 0.59 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.36 2jra h LEU 37 N 0.91 -0.09 -2.93 1.33 3.38 -1.35 -3.31 115.31 113.26 2jra h LEU 37 Ca 0.32 -0.52 -0.24 0.00 0.09 0.00 0.00 57.88 57.54 2jra h LEU 37 Cb 0.08 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 2jra h LEU 37 CO -0.14 0.54 0.30 0.49 0.09 0.00 0.00 178.44 179.73 2jra n PHE 38 N -4.83 1.36 0.20 1.13 3.72 -0.54 -4.35 117.46 114.16 2jra n PHE 38 Ca -0.08 -1.17 0.04 0.00 -0.05 0.00 0.00 57.45 56.19 2jra n PHE 38 Cb 0.30 -0.59 0.43 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.49 1.20 0.00 4.37 1.03 -1.39 -3.39 112.91 115.22 2jra h THR 39 Ca 0.28 -0.95 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 2jra h THR 39 Cb 1.74 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 2jra h THR 39 CO 0.51 0.27 0.00 0.52 -0.01 0.00 0.00 175.52 176.81 2jra n VAL 40 N -4.21 0.00 -2.90 0.00 0.31 -1.26 -5.07 118.33 105.21 2jra n VAL 40 Ca -0.02 0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 64.25 2jra n VAL 40 Cb 0.33 -1.11 0.08 0.00 -0.91 0.00 0.00 33.84 32.22 2jra n VAL 40 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2jra s ASP 41 N -1.93 4.85 -0.19 4.52 1.47 -1.26 -5.04 116.67 119.10 2jra s ASP 41 Ca 0.00 -0.70 0.16 0.00 1.18 0.00 0.00 52.55 53.19 2jra s ASP 41 Cb 0.00 0.22 0.48 0.00 -0.34 0.00 0.00 42.92 43.28 2jra s ASP 41 CO 0.00 -1.52 1.38 -1.14 0.68 0.00 0.00 175.17 174.57 2jra n ARG 42 N -2.43 2.48 -3.77 2.11 0.63 -1.26 -4.47 116.66 109.94 2jra n ARG 42 Ca 0.16 -2.85 -0.13 0.00 -0.92 0.00 0.00 57.85 54.11 2jra n ARG 42 Cb 0.61 -1.78 -0.12 0.00 0.45 0.00 0.00 32.46 31.62 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 -2.90 0.25 0.04 -0.14 2.12 -1.26 -1.45 118.70 115.37 2jra s GLU 43 Ca 0.41 0.39 0.07 0.00 0.36 0.00 0.00 54.97 56.20 2jra s GLU 43 Cb 0.34 0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2jra s GLU 43 CO 0.07 -0.07 -0.20 0.42 -0.54 0.00 0.00 175.26 174.94 2jra s ILE 44 N 0.49 1.57 -0.05 -3.70 -1.09 0.79 -5.00 121.20 114.22 2jra s ILE 44 Ca -0.03 -1.17 -0.01 0.00 -2.23 0.00 0.00 60.65 57.20 2jra s ILE 44 Cb -0.04 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2jra s ILE 44 CO -0.03 0.16 0.05 -0.69 -1.23 0.00 0.00 174.94 173.20 2jra s VAL 45 N -0.82 4.58 -0.20 2.92 1.01 -1.26 0.32 120.40 126.95 2jra s VAL 45 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2jra s VAL 45 Cb -0.09 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.34 2jra s VAL 45 CO 0.02 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2jra s ILE 46 N -1.04 0.62 0.03 2.22 1.01 0.41 -4.92 121.20 119.54 2jra s ILE 46 Ca 0.18 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 2jra s ILE 46 Cb -0.12 -1.10 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 2jra s ILE 46 CO 0.08 -0.19 0.67 0.00 0.00 0.00 0.00 174.94 175.50 2jra s ALA 47 N 1.81 3.45 -0.29 9.38 0.00 -1.26 -0.39 121.76 134.47 2jra s ALA 47 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2jra s ALA 47 Cb -0.17 -2.84 0.12 0.00 0.00 0.00 0.00 23.12 20.24 2jra s ALA 47 CO -0.08 0.16 0.24 -1.58 0.00 0.00 0.00 175.76 174.51 2jra s HIS 48 N -0.31 -0.21 0.00 0.00 5.04 -0.75 -4.98 115.29 114.08 2jra s HIS 48 Ca 0.34 -0.40 0.00 0.00 -1.54 0.00 0.00 55.06 53.46 2jra s HIS 48 Cb -0.20 -0.60 0.00 0.00 0.04 0.00 0.00 32.58 31.82 2jra s HIS 48 CO 0.20 -0.89 0.00 0.41 -2.34 0.00 0.00 174.74 172.12 2jra n GLY 49 N 5.29 1.80 0.00 1.59 0.00 -1.26 -3.06 105.19 109.54 2jra n GLY 49 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 4.49 0.00 -4.98 1.61 2.03 -1.26 -5.11 116.55 113.33 2jra n ASP 50 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 2jra n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 5.56 -0.05 1.67 2.15 -1.17 -5.12 116.67 119.71 2jra s ASP 51 Ca 0.00 -0.47 0.02 0.00 0.43 0.00 0.00 52.55 52.53 2jra s ASP 51 Cb 0.00 -0.67 0.01 0.00 -0.30 0.00 0.00 42.92 41.96 2jra s ASP 51 CO 0.00 -0.72 -0.08 -0.13 -0.17 0.00 0.00 175.17 174.06 2jra s ARG 52 N -4.30 1.15 0.40 4.34 0.52 -1.26 -1.80 118.95 117.99 2jra s ARG 52 Ca 0.53 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.56 2jra s ARG 52 Cb -0.09 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 2jra s ARG 52 CO 0.32 0.00 0.20 0.71 0.02 0.00 0.00 175.30 176.56 2jra s TYR 53 N 0.65 2.64 -0.15 -0.53 1.51 0.48 -4.92 117.35 117.03 2jra s TYR 53 Ca -0.11 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2jra s TYR 53 Cb -0.14 -1.93 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2jra s TYR 53 CO 0.02 0.17 0.01 1.03 -1.11 0.00 0.00 175.55 175.66 2jra s ARG 54 N -3.93 0.73 -0.36 -0.62 0.52 0.41 -0.44 118.95 115.26 2jra s ARG 54 Ca 0.42 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.18 2jra s ARG 54 Cb 0.01 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.80 2jra s ARG 54 CO 0.23 -0.49 0.66 -1.17 0.02 0.00 0.00 175.30 174.55 2jra s LEU 55 N 1.88 4.24 0.04 2.53 2.96 0.15 -0.44 118.68 130.04 2jra s LEU 55 Ca 0.01 0.17 0.09 0.00 -0.22 0.00 0.00 54.13 54.19 2jra s LEU 55 Cb -0.15 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 2jra s LEU 55 CO -0.07 -0.62 -0.26 -0.60 -1.32 0.00 0.00 176.35 173.48 2jra s ARG 56 N 2.78 1.85 -0.07 1.98 3.52 -0.43 -0.15 118.95 128.44 2jra s ARG 56 Ca 0.26 -1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 2jra s ARG 56 Cb -0.14 -2.00 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 2jra s ARG 56 CO 0.15 0.52 0.03 -1.17 -0.81 0.00 0.00 175.30 174.02 2jra s LEU 57 N -1.20 3.71 0.01 -0.88 0.20 -0.53 -0.59 118.68 119.41 2jra s LEU 57 Ca 0.12 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 2jra s LEU 57 Cb -0.10 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 2jra s LEU 57 CO 0.02 0.35 0.15 0.42 -0.29 0.00 0.00 176.35 177.00 2jra s THR 58 N -0.97 5.16 0.00 3.68 -4.23 0.69 -4.84 115.64 115.13 2jra s THR 58 Ca 0.16 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2jra s THR 58 Cb -0.12 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2jra s THR 58 CO 0.05 0.28 0.00 -1.54 -0.54 0.00 0.00 174.62 172.88 2jra n SER 59 N 0.86 0.00 -0.07 3.99 3.41 -1.26 -1.47 113.62 119.07 2jra n SER 59 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2jra n SER 59 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2jra n SER 59 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2jra n GLN 60 N 0.00 0.00 0.00 4.33 -0.06 -1.26 -5.01 117.38 115.38 2jra n GLN 60 Ca 0.00 -0.14 -0.01 0.00 -2.00 0.00 0.00 57.00 54.85 2jra n GLN 60 Cb 0.00 -0.12 -0.00 0.00 -4.06 0.00 0.00 30.24 26.05 2jra n GLN 60 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2jra h ASN 61 N 0.00 -0.05 -1.54 1.69 -0.26 -1.67 -3.50 115.58 110.25 2jra h ASN 61 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2jra h ASN 61 Cb 1.01 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.28 2jra h ASN 61 CO 0.00 0.16 0.02 2.29 -1.06 0.00 0.00 177.43 178.84 2jra n LYS 62 N -3.24 0.14 -4.27 0.81 2.85 -1.25 -5.02 118.16 108.19 2jra n LYS 62 Ca -0.01 -0.37 -0.15 0.00 -1.05 0.00 0.00 58.31 56.74 2jra n LYS 62 Cb 0.02 0.41 -0.10 0.00 -0.65 0.00 0.00 35.03 34.71 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 0.27 -5.58 2.34 -1.26 -0.22 118.68 116.76 2jra s LEU 63 Ca 0.03 -1.01 -0.11 0.00 0.06 0.00 0.00 54.13 53.10 2jra s LEU 63 Cb -0.01 -0.41 0.00 0.00 -0.56 0.00 0.00 46.19 45.22 2jra s LEU 63 CO 0.02 -0.30 0.50 0.27 -1.06 0.00 0.00 176.35 175.78 2jra s ILE 64 N -3.25 0.00 0.09 1.48 -5.25 0.24 -4.97 121.20 109.54 2jra s ILE 64 Ca 0.18 -1.41 0.03 0.00 -0.99 0.00 0.00 60.65 58.45 2jra s ILE 64 Cb 0.02 -2.31 -0.04 0.00 2.95 0.00 0.00 42.46 43.07 2jra s ILE 64 CO 0.02 0.00 0.10 -0.22 -1.79 0.00 0.00 174.94 173.05 2jra s LEU 65 N -3.05 3.87 0.06 0.37 2.96 -1.26 -1.31 118.68 120.31 2jra s LEU 65 Ca 0.23 0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 2jra s LEU 65 Cb -0.01 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.22 2jra s LEU 65 CO 0.11 0.16 0.63 0.28 -1.32 0.00 0.00 176.35 176.21 2jra s THR 66 N -1.45 0.00 0.00 3.68 -1.32 0.42 -4.93 115.64 112.05 2jra s THR 66 Ca 0.30 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 2jra s THR 66 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2jra s THR 66 CO 0.23 -0.01 0.29 0.29 -2.21 0.00 0.00 174.62 173.21