#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 2.52 -0.61 2.12 1.75 -1.26 -4.92 119.30 118.89 2jra s MET 2 Ca 0.00 1.03 -0.28 0.00 -1.25 0.00 0.00 55.69 55.19 2jra s MET 2 Cb 0.00 -4.44 0.02 0.00 2.84 0.00 0.00 34.83 33.25 2jra s MET 2 CO 0.00 -2.83 1.35 0.99 -0.65 0.00 0.00 175.02 173.88 2jra s THR 3 N 10.00 3.81 -0.71 10.11 2.01 -1.26 -4.85 115.64 134.75 2jra s THR 3 Ca 0.81 0.64 0.22 0.00 0.31 0.00 0.00 61.69 63.67 2jra s THR 3 Cb -0.16 -4.61 0.22 0.00 0.01 0.00 0.00 72.50 67.97 2jra s THR 3 CO 0.24 -1.37 1.69 0.00 -0.69 0.00 0.00 174.62 174.49 2jra n ALA 4 N 9.41 1.85 -1.75 7.40 0.00 -1.26 -4.62 120.51 131.54 2jra n ALA 4 Ca 0.09 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 2jra n ALA 4 Cb 0.49 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.52 2jra n ALA 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jra s SER 5 N -3.88 4.55 0.31 0.00 0.01 -1.26 -4.92 113.70 108.51 2jra s SER 5 Ca 0.07 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.68 2jra s SER 5 Cb 0.11 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2jra s SER 5 CO 0.42 -3.09 -0.09 -0.62 0.41 0.00 0.00 173.24 170.27 2jra s ASP 6 N 10.21 3.27 0.34 2.44 2.15 -1.26 -5.04 116.67 128.78 2jra s ASP 6 Ca 0.85 -1.18 0.25 0.00 0.43 0.00 0.00 52.55 52.90 2jra s ASP 6 Cb -0.13 -0.26 0.66 0.00 -0.30 0.00 0.00 42.92 42.89 2jra s ASP 6 CO 0.14 -0.25 1.71 0.03 -0.17 0.00 0.00 175.17 176.63 2jra h ARG 7 N 2.16 0.00 0.00 4.34 -0.00 -2.00 -3.47 114.38 115.41 2jra h ARG 7 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 2jra h ARG 7 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 2jra h ARG 7 CO 0.68 0.00 0.00 1.28 0.00 0.00 0.00 179.97 181.93 2jra n LEU 8 N -2.70 0.00 -3.09 3.04 4.77 -1.26 -4.66 117.00 113.09 2jra n LEU 8 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 2jra n LEU 8 Cb 0.45 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 2jra n LEU 8 CO 0.31 0.00 0.19 0.61 -1.33 0.00 0.00 177.39 177.17 2jra n GLY 9 N 0.00 -0.29 1.17 -0.72 0.00 -1.26 -4.92 105.19 99.17 2jra n GLY 9 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra n ALA 10 N -4.44 2.37 -1.79 4.61 0.00 -1.26 -4.96 120.51 115.05 2jra n ALA 10 Ca -0.04 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.84 2jra n ALA 10 Cb 0.57 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2jra n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jra s ASP 11 N -1.18 6.48 0.72 0.00 1.11 -1.26 -4.95 116.67 117.58 2jra s ASP 11 Ca 0.41 2.69 -0.16 0.00 0.18 0.00 0.00 52.55 55.67 2jra s ASP 11 Cb 0.22 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.67 2jra s ASP 11 CO 0.30 -0.96 1.19 -2.65 1.18 0.00 0.00 175.17 174.23 2jra n PRO 12 N 5.37 0.67 -3.05 8.23 -0.02 -1.26 -4.96 135.00 139.99 2jra n PRO 12 Ca 0.17 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2jra n PRO 12 Cb 0.38 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 2jra n PRO 12 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jra s THR 13 N -1.73 4.79 -0.53 3.45 2.01 -1.26 -4.99 115.64 117.39 2jra s THR 13 Ca 0.78 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 63.04 2jra s THR 13 Cb -0.34 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 67.95 2jra s THR 13 CO 0.46 -0.48 2.02 -1.10 -0.69 0.00 0.00 174.62 174.83 2jra s GLN 14 N 2.93 2.58 -0.47 4.92 1.11 -1.26 -4.93 119.66 124.54 2jra s GLN 14 Ca 0.27 0.98 -0.22 0.00 0.01 0.00 0.00 55.36 56.40 2jra s GLN 14 Cb -0.14 -4.42 0.03 0.00 -1.01 0.00 0.00 33.01 27.48 2jra s GLN 14 CO 0.18 -2.76 0.75 0.00 0.01 0.00 0.00 175.29 173.46 2jra s ALA 15 N 9.67 3.30 0.11 6.09 0.00 -1.26 -5.04 121.76 134.63 2jra s ALA 15 Ca 0.78 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 2jra s ALA 15 Cb -0.16 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 2jra s ALA 15 CO 0.24 -1.98 0.89 0.00 0.00 0.00 0.00 175.76 174.92 2jra s ALA 16 N 3.17 3.30 -0.59 0.00 0.00 -1.26 -4.94 121.76 121.44 2jra s ALA 16 Ca 0.26 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 2jra s ALA 16 Cb -0.14 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2jra s ALA 16 CO 0.19 0.04 2.43 0.43 0.00 0.00 0.00 175.76 178.86 2jra n SER 17 N 2.60 2.02 -4.49 0.00 7.64 -1.26 -4.90 113.62 115.22 2jra n SER 17 Ca 0.00 -0.68 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 2jra n SER 17 Cb 0.49 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.11 2jra n SER 17 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jra s SER 18 N 11.57 6.26 0.61 6.43 1.04 -1.26 -5.04 113.70 133.32 2jra s SER 18 Ca 1.00 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 56.79 2jra s SER 18 Cb -0.24 -2.42 0.06 0.00 0.10 0.00 0.00 66.02 63.52 2jra s SER 18 CO 0.24 -1.29 0.85 -2.16 0.98 0.00 0.00 173.24 171.87 2jra s PRO 19 N 3.91 2.29 -0.26 4.02 0.04 -1.26 -5.12 135.00 138.62 2jra s PRO 19 Ca 0.26 -0.81 -0.11 0.00 0.04 0.00 0.00 61.00 60.38 2jra s PRO 19 Cb -0.15 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.08 2jra s PRO 19 CO 0.15 -0.95 0.58 0.20 0.04 0.00 0.00 177.00 177.02 2jra s GLY 20 N -4.51 -0.58 -0.43 0.56 0.00 -1.26 -5.13 107.32 95.97 2jra s GLY 20 Ca 0.60 2.10 0.02 0.00 0.00 0.00 0.00 44.72 47.44 2jra s GLY 20 CO 0.41 2.60 0.20 -0.32 0.00 0.00 0.00 173.10 175.98 2jra s GLY 21 N 2.34 1.79 -0.22 0.20 0.00 -1.26 -5.07 107.32 105.09 2jra s GLY 21 Ca -0.07 -2.60 -0.02 0.00 0.00 0.00 0.00 44.72 42.03 2jra s GLY 21 CO -0.17 1.37 -0.08 0.00 0.00 0.00 0.00 173.10 174.22 2jra s ALA 22 N 0.46 2.69 -0.01 3.20 0.00 -1.26 -5.11 121.76 121.74 2jra s ALA 22 Ca 0.16 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.94 2jra s ALA 22 Cb -0.23 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2jra s ALA 22 CO -0.04 -0.49 -0.18 -0.98 0.00 0.00 0.00 175.76 174.07 2jra s ARG 23 N 1.41 2.25 -0.30 0.00 1.70 -1.26 -5.11 118.95 117.64 2jra s ARG 23 Ca 0.05 -0.86 -0.06 0.00 -0.47 0.00 0.00 55.73 54.38 2jra s ARG 23 Cb -0.14 -2.24 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2jra s ARG 23 CO -0.06 0.58 0.07 0.00 -1.08 0.00 0.00 175.30 174.82 2jra s ALA 24 N -0.80 3.04 0.03 7.88 0.00 -1.26 -5.10 121.76 125.55 2jra s ALA 24 Ca 0.13 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2jra s ALA 24 Cb -0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2jra s ALA 24 CO 0.02 -0.97 -0.04 0.14 0.00 0.00 0.00 175.76 174.91 2jra s VAL 25 N 1.48 3.80 0.22 0.00 -7.23 -1.26 -5.13 120.40 112.28 2jra s VAL 25 Ca 0.02 -0.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2jra s VAL 25 Cb -0.17 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2jra s VAL 25 CO 0.02 0.31 0.12 -0.94 -0.31 0.00 0.00 175.10 174.29 2jra s SER 26 N -1.71 5.23 -0.11 4.85 1.04 -1.26 -5.12 113.70 116.62 2jra s SER 26 Ca 0.20 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2jra s SER 26 Cb -0.11 -1.25 0.01 0.00 0.10 0.00 0.00 66.02 64.77 2jra s SER 26 CO 0.11 0.01 -0.18 -0.63 0.98 0.00 0.00 173.24 173.54 2jra s ILE 27 N -2.02 1.65 -0.46 -1.02 1.09 -1.26 -4.73 121.20 114.46 2jra s ILE 27 Ca 0.31 -0.75 -0.12 0.00 -1.10 0.00 0.00 60.65 58.99 2jra s ILE 27 Cb -0.08 -1.48 0.08 0.00 -1.06 0.00 0.00 42.46 39.92 2jra s ILE 27 CO 0.23 0.47 0.34 0.68 -0.10 0.00 0.00 174.94 176.56 2jra s VAL 28 N 0.78 4.72 0.00 2.92 -7.23 0.15 -4.77 120.40 116.97 2jra s VAL 28 Ca -0.10 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2jra s VAL 28 Cb -0.16 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 32.89 2jra s VAL 28 CO 0.01 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2jra n GLY 29 N 5.06 1.86 0.12 2.32 0.00 -1.26 -1.78 105.19 111.51 2jra n GLY 29 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 3.60 0.00 -4.30 1.61 6.94 -1.26 -5.14 115.26 116.71 2jra n ASN 30 Ca 0.00 -1.05 -0.30 0.00 -0.02 0.00 0.00 54.58 53.21 2jra n ASN 30 Cb 0.00 -0.01 -0.16 0.00 -2.36 0.00 0.00 39.78 37.25 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 2.00 0.03 -3.83 0.74 -0.74 -5.12 119.66 112.74 2jra s GLN 31 Ca 0.00 -0.94 0.03 0.00 0.05 0.00 0.00 55.36 54.50 2jra s GLN 31 Cb 0.00 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 32.12 2jra s GLN 31 CO 0.00 0.54 -0.08 -1.50 -0.55 0.00 0.00 175.29 173.69 2jra s ILE 32 N -0.63 0.62 0.03 -2.34 2.07 -1.26 -0.67 121.20 119.02 2jra s ILE 32 Ca 0.10 -0.87 -0.23 0.00 -1.41 0.00 0.00 60.65 58.24 2jra s ILE 32 Cb -0.10 -0.62 -0.05 0.00 0.13 0.00 0.00 42.46 41.81 2jra s ILE 32 CO -0.00 -0.19 0.69 -0.62 -1.91 0.00 0.00 174.94 172.91 2jra s ASP 33 N -1.16 7.12 0.49 4.50 -1.08 -1.26 -4.96 116.67 120.32 2jra s ASP 33 Ca -0.05 1.33 0.17 0.00 -0.52 0.00 0.00 52.55 53.48 2jra s ASP 33 Cb -0.08 -2.43 1.20 0.00 -1.46 0.00 0.00 42.92 40.16 2jra s ASP 33 CO 0.00 0.06 2.08 0.77 0.52 0.00 0.00 175.17 178.60 2jra h SER 34 N 5.61 0.00 -0.39 -0.34 4.64 -2.01 -2.25 113.55 118.81 2jra h SER 34 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2jra h SER 34 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2jra h SER 34 CO 0.70 0.09 0.20 -0.09 -0.87 0.00 0.00 176.83 176.86 2jra h ARG 35 N 0.00 0.61 -0.71 4.77 1.12 -1.92 -0.85 114.38 117.39 2jra h ARG 35 Ca -0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 2jra h ARG 35 Cb 0.17 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 2jra h ARG 35 CO 0.01 0.48 0.44 0.93 -3.11 0.00 0.00 179.97 178.73 2jra h GLU 36 N 0.61 0.95 0.01 0.20 4.39 -1.82 0.11 114.58 119.04 2jra h GLU 36 Ca 0.15 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jra h GLU 36 Cb 0.08 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2jra h GLU 36 CO -0.02 0.66 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.41 2jra h LEU 37 N 0.96 -0.02 -2.95 1.33 3.38 -1.42 -3.20 115.31 113.40 2jra h LEU 37 Ca 0.26 -0.49 -0.22 0.00 0.09 0.00 0.00 57.88 57.52 2jra h LEU 37 Cb -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.56 2jra h LEU 37 CO -0.05 0.48 0.28 0.49 0.09 0.00 0.00 178.44 179.73 2jra n PHE 38 N -4.86 1.58 0.15 1.13 3.72 -0.41 -4.46 117.46 114.31 2jra n PHE 38 Ca -0.08 -1.06 0.14 0.00 -0.05 0.00 0.00 57.45 56.40 2jra n PHE 38 Cb 0.26 -0.57 0.69 0.00 -0.94 0.00 0.00 39.48 38.92 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 0.93 0.82 0.00 4.37 1.03 -0.77 -3.36 112.91 115.92 2jra h THR 39 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.67 2jra h THR 39 Cb 1.88 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 2jra h THR 39 CO 0.54 0.00 -0.21 0.55 -0.01 0.00 0.00 175.52 176.38 2jra n VAL 40 N -4.37 0.00 -3.57 0.00 3.14 -1.26 -5.03 118.33 107.24 2jra n VAL 40 Ca 0.03 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.00 2jra n VAL 40 Cb 0.32 -0.23 -0.11 0.00 -1.06 0.00 0.00 33.84 32.76 2jra n VAL 40 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2jra s ASP 41 N -3.56 5.82 0.00 6.55 1.01 -1.26 -4.94 116.67 120.28 2jra s ASP 41 Ca 0.00 -0.91 0.02 0.00 0.71 0.00 0.00 52.55 52.37 2jra s ASP 41 Cb 0.00 -2.06 0.13 0.00 1.01 0.00 0.00 42.92 42.00 2jra s ASP 41 CO 0.00 -0.38 0.53 -1.14 0.21 0.00 0.00 175.17 174.39 2jra n ARG 42 N 5.04 0.39 -3.81 8.23 0.63 -1.26 -4.19 116.66 121.69 2jra n ARG 42 Ca -0.12 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.68 2jra n ARG 42 Cb 0.47 -1.09 -0.15 0.00 0.45 0.00 0.00 32.46 32.14 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 0.01 0.00 -0.14 2.12 -1.26 -0.90 118.70 116.53 2jra s GLU 43 Ca 0.03 0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.57 2jra s GLU 43 Cb 0.02 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 2jra s GLU 43 CO 0.03 -0.10 -0.17 0.42 -0.54 0.00 0.00 175.26 174.90 2jra s ILE 44 N 0.64 1.31 -0.37 -3.70 -1.09 0.36 -5.01 121.20 113.33 2jra s ILE 44 Ca -0.05 -0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 57.47 2jra s ILE 44 Cb -0.07 -1.11 0.03 0.00 -1.58 0.00 0.00 42.46 39.73 2jra s ILE 44 CO -0.02 0.30 0.19 -0.69 -1.23 0.00 0.00 174.94 173.49 2jra s VAL 45 N -0.49 4.44 -0.56 2.92 1.01 -1.26 0.38 120.40 126.83 2jra s VAL 45 Ca 0.06 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 2jra s VAL 45 Cb -0.07 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2jra s VAL 45 CO -0.00 -0.25 0.86 -0.63 0.00 0.00 0.00 175.10 175.09 2jra s ILE 46 N 1.52 4.50 0.15 2.22 1.01 0.11 -4.88 121.20 125.84 2jra s ILE 46 Ca 0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 2jra s ILE 46 Cb -0.19 -4.51 -0.08 0.00 0.01 0.00 0.00 42.46 37.69 2jra s ILE 46 CO 0.06 -1.11 0.72 0.00 0.00 0.00 0.00 174.94 174.61 2jra s ALA 47 N 3.62 3.47 -0.27 9.38 0.00 -1.26 -0.11 121.76 136.58 2jra s ALA 47 Ca 0.24 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2jra s ALA 47 Cb -0.15 -2.87 0.14 0.00 0.00 0.00 0.00 23.12 20.24 2jra s ALA 47 CO 0.15 0.32 0.33 -1.58 0.00 0.00 0.00 175.76 174.98 2jra s HIS 48 N -1.20 -0.63 0.00 0.00 5.04 -0.38 -4.94 115.29 113.18 2jra s HIS 48 Ca 0.35 0.16 0.00 0.00 -1.54 0.00 0.00 55.06 54.03 2jra s HIS 48 Cb -0.21 -0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.11 2jra s HIS 48 CO 0.24 -0.87 0.00 0.41 -2.34 0.00 0.00 174.74 172.18 2jra n GLY 49 N 5.33 1.74 0.01 1.59 0.00 -1.26 -2.82 105.19 109.78 2jra n GLY 49 Ca -0.02 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 7.58 0.63 -4.99 1.61 2.03 -1.26 -5.02 116.55 117.13 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 1.87 0.00 0.00 -0.72 0.00 0.00 41.12 42.27 2jra n ASP 50 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2jra s ASP 51 N -4.21 5.63 -0.03 1.67 1.01 -1.13 -5.12 116.67 114.50 2jra s ASP 51 Ca -0.07 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.78 2jra s ASP 51 Cb 0.12 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.32 2jra s ASP 51 CO 0.80 -0.68 -0.05 -0.13 0.21 0.00 0.00 175.17 175.31 2jra s ARG 52 N -4.29 0.67 0.30 8.23 0.52 -1.26 -1.25 118.95 121.87 2jra s ARG 52 Ca 0.52 -0.13 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 2jra s ARG 52 Cb -0.09 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 2jra s ARG 52 CO 0.32 -0.01 0.24 0.71 0.02 0.00 0.00 175.30 176.58 2jra s TYR 53 N 0.55 2.95 -0.24 -0.53 1.51 0.84 -4.82 117.35 117.62 2jra s TYR 53 Ca -0.07 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2jra s TYR 53 Cb -0.10 -1.62 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 2jra s TYR 53 CO -0.00 0.33 -0.06 1.03 -1.11 0.00 0.00 175.55 175.73 2jra s ARG 54 N -3.92 1.74 -0.45 -0.62 0.52 0.71 -0.71 118.95 116.23 2jra s ARG 54 Ca 0.37 -1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 2jra s ARG 54 Cb -0.06 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.80 2jra s ARG 54 CO 0.25 -0.59 0.67 -1.17 0.02 0.00 0.00 175.30 174.49 2jra s LEU 55 N 1.34 4.48 -0.01 2.53 2.96 0.16 -1.01 118.68 129.14 2jra s LEU 55 Ca -0.06 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2jra s LEU 55 Cb -0.19 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 2jra s LEU 55 CO -0.06 -0.83 -0.22 -0.60 -1.32 0.00 0.00 176.35 173.32 2jra s ARG 56 N 2.92 1.78 0.09 1.98 3.52 -0.16 -0.49 118.95 128.59 2jra s ARG 56 Ca 0.23 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2jra s ARG 56 Cb -0.14 -1.75 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 2jra s ARG 56 CO 0.19 0.47 0.02 -1.17 -0.81 0.00 0.00 175.30 174.01 2jra s LEU 57 N -0.62 3.56 0.07 -0.88 2.96 -0.08 -0.83 118.68 122.86 2jra s LEU 57 Ca 0.09 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2jra s LEU 57 Cb -0.09 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2jra s LEU 57 CO -0.00 0.17 0.13 0.42 -1.32 0.00 0.00 176.35 175.74 2jra s THR 58 N -1.36 4.90 0.00 3.68 -4.23 0.68 -4.83 115.64 114.47 2jra s THR 58 Ca 0.27 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2jra s THR 58 Cb -0.12 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.36 2jra s THR 58 CO 0.19 0.15 0.00 -1.20 -0.54 0.00 0.00 174.62 173.22 2jra n SER 59 N 0.44 0.00 0.00 3.99 7.64 -1.26 -2.02 113.62 122.40 2jra n SER 59 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2jra n SER 59 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2jra n SER 59 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jra n GLN 60 N 0.00 0.00 0.00 1.43 7.27 -1.26 -5.02 117.38 119.80 2jra n GLN 60 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 57.00 56.89 2jra n GLN 60 Cb 0.00 -0.32 0.00 0.00 2.41 0.00 0.00 30.24 32.33 2jra n GLN 60 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2jra n ASN 61 N 0.00 0.00 -2.89 1.69 4.13 -0.86 -5.03 115.26 112.31 2jra n ASN 61 Ca 0.00 0.48 -0.13 0.00 1.68 0.00 0.00 54.58 56.61 2jra n ASN 61 Cb 0.39 -0.20 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2jra n LYS 62 N -1.11 0.73 -4.25 3.52 -0.00 -1.26 -4.99 118.16 110.80 2jra n LYS 62 Ca 0.00 -2.61 -0.14 0.00 -0.00 0.00 0.00 58.31 55.56 2jra n LYS 62 Cb 0.00 2.60 -0.10 0.00 -0.00 0.00 0.00 35.03 37.52 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2jra s LEU 63 N 0.00 1.88 0.24 -5.58 2.34 -1.26 -0.23 118.68 116.07 2jra s LEU 63 Ca 0.26 -1.25 -0.10 0.00 0.06 0.00 0.00 54.13 53.10 2jra s LEU 63 Cb -0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 46.19 45.63 2jra s LEU 63 CO 0.19 -0.65 0.41 0.27 -1.06 0.00 0.00 176.35 175.51 2jra s ILE 64 N -3.75 0.00 -0.17 1.48 -5.25 -0.01 -4.99 121.20 108.52 2jra s ILE 64 Ca 0.29 -1.53 -0.00 0.00 -0.99 0.00 0.00 60.65 58.42 2jra s ILE 64 Cb 0.07 -2.28 0.04 0.00 2.95 0.00 0.00 42.46 43.24 2jra s ILE 64 CO 0.07 0.00 -0.06 -0.22 -1.79 0.00 0.00 174.94 172.94 2jra s LEU 65 N -3.05 1.70 0.06 0.37 2.96 -1.26 -0.99 118.68 118.47 2jra s LEU 65 Ca 0.26 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 2jra s LEU 65 Cb 0.01 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 2jra s LEU 65 CO 0.10 -0.18 -0.07 0.28 -1.32 0.00 0.00 176.35 175.16 2jra s THR 66 N 1.60 0.58 0.00 3.68 -1.32 -0.18 -4.95 115.64 115.05 2jra s THR 66 Ca 0.01 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 2jra s THR 66 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2jra s THR 66 CO -0.08 -0.57 0.00 2.29 -2.21 0.00 0.00 174.62 174.05