#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp s VAL 2 N 0.00 3.46 -1.26 0.00 1.01 -1.26 -3.23 120.40 119.13 2jsp s VAL 2 Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 2jsp s VAL 2 Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2jsp s VAL 2 CO 0.00 -0.55 0.69 0.59 0.00 0.00 0.00 175.10 175.83 2jsp n ASN 3 N 10.95 -2.52 -3.27 3.32 4.13 -1.26 -4.84 115.26 121.77 2jsp n ASN 3 Ca 0.22 -0.89 -0.27 0.00 1.68 0.00 0.00 54.58 55.32 2jsp n ASN 3 Cb 0.48 -3.80 -0.02 0.00 -1.54 0.00 0.00 39.78 34.90 2jsp n ASN 3 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2jsp n VAL 4 N -4.18 2.36 -3.34 2.41 3.14 -1.20 -4.46 118.33 113.07 2jsp n VAL 4 Ca -0.23 -1.52 -0.11 0.00 -2.96 0.00 0.00 64.34 59.52 2jsp n VAL 4 Cb 0.65 -2.18 0.01 0.00 -1.06 0.00 0.00 33.84 31.26 2jsp n VAL 4 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2jsp n GLU 5 N 4.75 -1.43 0.04 1.45 2.13 -1.26 -4.87 120.64 121.45 2jsp n GLU 5 Ca 0.46 1.15 0.00 0.00 0.66 0.00 0.00 57.16 59.43 2jsp n GLU 5 Cb 0.19 -4.66 0.00 0.00 0.27 0.00 0.00 31.44 27.24 2jsp n GLU 5 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jsp n LYS 6 N -2.35 0.00 -1.16 5.31 5.02 -1.26 -5.19 118.16 118.53 2jsp n LYS 6 Ca -0.10 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 2jsp n LYS 6 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.51 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2jsp n GLN 7 N -2.40 -2.75 -3.65 1.97 3.00 -1.26 -4.87 117.38 107.41 2jsp n GLN 7 Ca 0.00 2.24 -0.38 0.00 -0.01 0.00 0.00 57.00 58.85 2jsp n GLN 7 Cb 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 30.24 27.03 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jsp s LYS 8 N -4.20 2.89 0.44 -1.09 1.02 -1.18 -5.06 119.74 112.56 2jsp s LYS 8 Ca 0.00 -2.74 -0.24 0.00 0.02 0.00 0.00 55.97 53.01 2jsp s LYS 8 Cb 0.00 -3.88 -0.08 0.00 -0.52 0.00 0.00 37.83 33.36 2jsp s LYS 8 CO 0.00 -1.21 1.22 -1.25 -0.92 0.00 0.00 175.35 173.18 2jsp s PRO 9 N -0.41 3.80 -0.60 -1.68 0.04 -1.26 -1.54 135.00 133.36 2jsp s PRO 9 Ca 0.20 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.21 2jsp s PRO 9 Cb -0.16 -2.53 0.19 0.00 0.04 0.00 0.00 34.50 32.04 2jsp s PRO 9 CO -0.06 -0.55 0.50 0.00 0.04 0.00 0.00 177.00 176.92 2jsp n ALA 10 N -0.28 3.30 -0.91 8.56 0.00 -1.26 -4.72 120.51 125.20 2jsp n ALA 10 Ca 0.06 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.39 2jsp n ALA 10 Cb 0.46 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2jsp n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsp n VAL 11 N 1.97 0.00 -4.44 0.00 0.31 -1.26 -4.69 118.33 110.22 2jsp n VAL 11 Ca 0.24 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.35 2jsp n VAL 11 Cb 0.41 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.24 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jsp s SER 12 N -4.00 3.31 0.12 4.52 0.15 -1.26 -5.05 113.70 111.50 2jsp s SER 12 Ca 0.00 -1.04 0.03 0.00 0.70 0.00 0.00 55.95 55.65 2jsp s SER 12 Cb 0.00 -0.26 0.36 0.00 -1.71 0.00 0.00 66.02 64.42 2jsp s SER 12 CO 0.00 -0.03 0.57 0.55 1.20 0.00 0.00 173.24 175.53 2jsp n VAL 13 N -0.57 -0.15 -0.26 4.45 3.14 -1.26 -0.54 118.33 123.14 2jsp n VAL 13 Ca -0.06 0.78 0.31 0.00 -2.96 0.00 0.00 64.34 62.42 2jsp n VAL 13 Cb 0.60 -1.19 0.72 0.00 -1.06 0.00 0.00 33.84 32.92 2jsp n VAL 13 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2jsp h ARG 14 N 0.00 0.03 -0.25 1.45 1.12 -1.99 -0.81 114.38 113.92 2jsp h ARG 14 Ca 0.26 -0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.90 2jsp h ARG 14 Cb 0.60 -0.01 -0.29 0.00 -0.01 0.00 0.00 29.97 30.26 2jsp h ARG 14 CO -0.32 0.02 -0.86 1.17 -3.11 0.00 0.00 179.97 176.87 2jsp n LYS 15 N -4.25 1.59 -0.13 0.20 4.81 0.30 -4.86 118.16 115.82 2jsp n LYS 15 Ca 0.23 -3.16 -0.07 0.00 -0.87 0.00 0.00 58.31 54.44 2jsp n LYS 15 Cb 1.10 -1.29 0.09 0.00 0.02 0.00 0.00 35.03 34.95 2jsp n LYS 15 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jsp h SER 16 N 1.60 0.86 -3.29 3.14 4.64 -1.07 -3.41 113.55 116.02 2jsp h SER 16 Ca -0.02 -0.26 -0.58 0.00 -0.47 0.00 0.00 61.79 60.47 2jsp h SER 16 Cb 1.43 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2jsp h SER 16 CO 0.23 0.97 0.42 -0.69 -0.87 0.00 0.00 176.83 176.89 2jsp s VAL 17 N -4.84 4.86 0.00 0.95 1.01 -1.26 -2.31 120.40 118.81 2jsp s VAL 17 Ca -0.10 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.55 2jsp s VAL 17 Cb 0.14 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2jsp s VAL 17 CO 0.83 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.94 2jsp n GLN 18 N 5.32 2.39 -1.86 2.72 6.02 -0.55 -5.03 117.38 126.39 2jsp n GLN 18 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.77 2jsp n GLN 18 Cb 0.49 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.67 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jsp n ASP 19 N -0.52 2.64 -1.89 1.08 9.92 -1.26 -3.71 116.55 122.82 2jsp n ASP 19 Ca 0.00 -2.65 -0.16 0.00 -0.53 0.00 0.00 54.79 51.45 2jsp n ASP 19 Cb 0.00 -1.66 -0.04 0.00 -0.64 0.00 0.00 41.12 38.78 2jsp n ASP 19 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jsp n ASP 20 N 14.85 -4.40 -3.91 -2.24 8.00 -1.26 -4.97 116.55 122.61 2jsp n ASP 20 Ca 0.45 0.27 -0.18 0.00 0.71 0.00 0.00 54.79 56.03 2jsp n ASP 20 Cb 0.46 -3.86 -0.15 0.00 -0.02 0.00 0.00 41.12 37.54 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jsp s HIS 21 N -2.54 0.57 -0.24 1.24 -3.43 -1.24 -4.43 115.29 105.22 2jsp s HIS 21 Ca 0.00 -0.12 -0.05 0.00 -0.80 0.00 0.00 55.06 54.09 2jsp s HIS 21 Cb 0.00 -0.47 -0.00 0.00 -1.43 0.00 0.00 32.58 30.68 2jsp s HIS 21 CO 0.00 -0.10 -0.01 -1.50 -2.00 0.00 0.00 174.74 171.14 2jsp s ILE 22 N 0.46 3.56 0.01 -5.38 2.07 0.14 -1.48 121.20 120.58 2jsp s ILE 22 Ca -0.05 -0.54 -0.30 0.00 -1.41 0.00 0.00 60.65 58.34 2jsp s ILE 22 Cb -0.09 -2.69 -0.05 0.00 0.13 0.00 0.00 42.46 39.77 2jsp s ILE 22 CO -0.00 0.32 1.22 0.54 -1.91 0.00 0.00 174.94 175.11 2jsp s VAL 23 N 1.49 4.09 -0.68 4.00 0.11 -0.98 -2.41 120.40 126.02 2jsp s VAL 23 Ca 0.05 1.47 -0.27 0.00 -2.93 0.00 0.00 61.98 60.29 2jsp s VAL 23 Cb -0.15 -3.94 0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2jsp s VAL 23 CO -0.01 0.06 1.31 0.00 -3.33 0.00 0.00 175.10 173.12 2jsp s LEU 25 N 5.81 4.06 0.00 0.00 2.01 -1.26 -0.03 118.68 129.27 2jsp s LEU 25 Ca 0.40 2.83 0.00 0.00 0.01 0.00 0.00 54.13 57.37 2jsp s LEU 25 Cb -0.08 -4.02 0.00 0.00 0.01 0.00 0.00 46.19 42.10 2jsp s LEU 25 CO 0.19 -1.22 0.00 1.21 1.01 0.00 0.00 176.35 177.54 2jsp n GLU 26 N -0.36 0.00 0.03 1.70 4.07 -0.96 -4.63 120.64 120.50 2jsp n GLU 26 Ca 0.06 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.16 2jsp n GLU 26 Cb 0.43 -2.58 -0.00 0.00 -0.06 0.00 0.00 31.44 29.22 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n GLY 28 N 3.27 2.90 3.67 0.00 0.00 0.95 -4.80 105.19 111.18 2jsp n GLY 28 Ca -0.01 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2jsp n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsp n GLY 29 N 0.00 0.32 3.52 -0.02 0.00 -1.26 -4.10 105.19 103.66 2jsp n GLY 29 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2jsp n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jsp s SER 30 N -0.47 4.10 0.28 1.61 0.15 -1.26 -2.49 113.70 115.62 2jsp s SER 30 Ca 0.58 -0.46 -0.18 0.00 0.70 0.00 0.00 55.95 56.59 2jsp s SER 30 Cb -0.57 -0.69 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 2jsp s SER 30 CO 0.60 0.19 0.65 0.72 1.20 0.00 0.00 173.24 176.61 2jsp s PHE 31 N -1.14 -0.00 0.28 3.44 -0.12 -1.01 -4.91 117.98 114.52 2jsp s PHE 31 Ca 0.19 -0.44 0.12 0.00 -0.05 0.00 0.00 56.93 56.75 2jsp s PHE 31 Cb -0.11 0.56 0.46 0.00 -0.63 0.00 0.00 43.02 43.30 2jsp s PHE 31 CO 0.11 -1.19 1.66 -0.22 -0.05 0.00 0.00 175.22 175.53 2jsp h LYS 32 N 2.07 0.00 -4.50 1.99 3.64 -1.86 0.41 116.57 118.33 2jsp h LYS 32 Ca -0.22 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.65 2jsp h LYS 32 Cb 1.25 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.73 2jsp h LYS 32 CO 0.28 0.55 -0.81 -1.54 -2.27 0.00 0.00 179.45 175.65 2jsp s SER 33 N -6.81 1.73 -0.11 4.20 1.04 -1.26 -0.42 113.70 112.08 2jsp s SER 33 Ca -0.01 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.17 2jsp s SER 33 Cb 0.13 -0.80 -0.09 0.00 0.10 0.00 0.00 66.02 65.35 2jsp s SER 33 CO 0.75 0.02 -0.05 -0.11 0.98 0.00 0.00 173.24 174.83 2jsp n LEU 34 N 3.87 1.68 -0.35 2.42 -0.00 0.16 -4.44 117.00 120.33 2jsp n LEU 34 Ca -0.23 -0.04 -0.05 0.00 -0.00 0.00 0.00 56.01 55.70 2jsp n LEU 34 Cb 0.52 -0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 43.78 2jsp n LEU 34 CO 0.25 0.50 0.46 1.17 -0.00 0.00 0.00 177.39 179.77 2jsp n LYS 35 N -2.63 -0.29 0.13 1.96 3.00 0.92 0.30 118.16 121.55 2jsp n LYS 35 Ca -0.19 1.32 -0.05 0.00 -0.00 0.00 0.00 58.31 59.39 2jsp n LYS 35 Cb 0.76 -1.95 -0.02 0.00 0.00 0.00 0.00 35.03 33.82 2jsp n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jsp h ARG 36 N 0.00 -0.32 -0.86 1.64 -0.00 -1.86 -3.04 114.38 109.94 2jsp h ARG 36 Ca 0.22 0.02 0.22 0.00 -0.50 0.00 0.00 59.98 59.95 2jsp h ARG 36 Cb 0.44 0.07 -0.15 0.00 0.00 0.00 0.00 29.97 30.33 2jsp h ARG 36 CO -0.84 -0.21 0.11 1.25 0.00 0.00 0.00 179.97 180.28 2jsp h HIS 37 N -0.35 0.11 0.00 3.04 2.76 -1.56 0.15 115.15 119.31 2jsp h HIS 37 Ca -0.03 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2jsp h HIS 37 Cb 0.25 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.30 2jsp h HIS 37 CO 0.16 -0.28 0.00 -0.11 -1.30 0.00 0.00 177.93 176.40 2jsp n LEU 38 N -5.33 0.00 0.22 0.26 -0.00 0.15 -0.39 117.00 111.91 2jsp n LEU 38 Ca 0.19 0.96 0.13 0.00 -0.00 0.00 0.00 56.01 57.30 2jsp n LEU 38 Cb 0.63 -0.46 0.75 0.00 -0.00 0.00 0.00 43.42 44.34 2jsp n LEU 38 CO 0.02 -0.46 1.12 0.74 -0.00 0.00 0.00 177.39 178.81 2jsp h THR 39 N 0.00 0.74 0.59 1.96 2.02 -1.14 0.59 112.91 117.67 2jsp h THR 39 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2jsp h THR 39 Cb 0.00 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jsp h THR 39 CO 0.00 0.00 -0.28 0.74 0.37 0.00 0.00 175.52 176.35 2jsp h THR 40 N 0.00 0.00 0.00 3.16 2.02 -0.63 -3.28 112.91 114.18 2jsp h THR 40 Ca 0.05 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2jsp h THR 40 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2jsp h THR 40 CO -0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 2jsp n HIS 41 N -5.17 0.00 0.30 3.16 8.25 0.48 -4.41 115.22 117.83 2jsp n HIS 41 Ca -0.10 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.54 2jsp n HIS 41 Cb 0.31 -0.07 0.95 0.00 1.12 0.00 0.00 29.99 32.30 2jsp n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jsp h HIS 42 N 0.00 0.00 -1.16 4.41 -0.00 -1.60 -3.49 115.15 113.31 2jsp h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsp h HIS 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2jsp h HIS 42 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.36 2jsp n SER 43 N -3.17 -3.49 -0.70 2.45 7.64 0.20 -4.92 113.62 111.63 2jsp n SER 43 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.95 2jsp n SER 43 Cb 0.28 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 2jsp n SER 43 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jsp n MET 44 N -1.01 -1.61 -2.28 1.43 2.81 -1.26 -3.45 117.12 111.76 2jsp n MET 44 Ca 0.00 1.29 -0.36 0.00 -1.81 0.00 0.00 57.70 56.82 2jsp n MET 44 Cb 0.00 -1.89 -0.01 0.00 -0.71 0.00 0.00 33.22 30.61 2jsp n MET 44 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jsp s THR 45 N -3.37 3.16 0.21 2.03 -4.23 -1.26 -3.79 115.64 108.38 2jsp s THR 45 Ca 0.00 0.83 -0.10 0.00 -1.18 0.00 0.00 61.69 61.24 2jsp s THR 45 Cb 0.00 -3.40 0.14 0.00 1.34 0.00 0.00 72.50 70.58 2jsp s THR 45 CO 0.00 -0.06 1.80 1.55 -0.54 0.00 0.00 174.62 177.38 2jsp h PRO 46 N 1.82 0.65 -0.53 3.99 0.13 -1.91 -0.73 132.00 135.43 2jsp h PRO 46 Ca -0.49 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2jsp h PRO 46 Cb 1.25 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2jsp h PRO 46 CO 0.59 0.43 0.16 0.93 -0.23 0.00 0.00 178.00 179.88 2jsp h GLU 47 N 0.67 0.79 -0.54 0.86 5.08 -1.97 -0.80 114.58 118.67 2jsp h GLU 47 Ca 0.29 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2jsp h GLU 47 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jsp h GLU 47 CO -0.18 0.69 -0.11 1.49 -1.00 0.00 0.00 179.01 179.90 2jsp h GLU 48 N 0.77 1.03 -1.00 2.33 4.81 -1.74 -3.11 114.58 117.68 2jsp h GLU 48 Ca 0.18 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2jsp h GLU 48 Cb 0.24 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2jsp h GLU 48 CO -0.01 1.08 0.66 -0.92 -0.73 0.00 0.00 179.01 179.09 2jsp h TYR 49 N 0.91 1.24 -0.64 0.92 3.20 -0.75 -2.07 116.97 119.78 2jsp h TYR 49 Ca 0.14 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2jsp h TYR 49 Cb 0.68 -0.42 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 2jsp h TYR 49 CO 0.05 0.77 0.42 0.07 -1.64 0.00 0.00 178.16 177.83 2jsp h ARG 50 N 1.33 0.57 -0.74 1.82 -0.00 -1.09 -2.12 114.38 114.14 2jsp h ARG 50 Ca 0.37 -0.03 0.01 0.00 -0.00 0.00 0.00 59.98 60.32 2jsp h ARG 50 Cb -0.12 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.97 29.68 2jsp h ARG 50 CO -0.09 0.38 0.49 1.49 -0.00 0.00 0.00 179.97 182.24 2jsp h GLU 51 N 0.58 0.98 0.42 0.08 4.22 -1.37 0.23 114.58 119.72 2jsp h GLU 51 Ca 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 2jsp h GLU 51 Cb 0.35 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2jsp h GLU 51 CO -0.09 0.65 -0.44 -0.22 -2.18 0.00 0.00 179.01 176.73 2jsp h LYS 52 N 1.01 -0.85 -0.01 1.92 1.63 -1.34 -2.21 116.57 116.71 2jsp h LYS 52 Ca 0.27 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2jsp h LYS 52 Cb -0.11 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2jsp h LYS 52 CO -0.06 -0.57 0.00 0.91 -3.45 0.00 0.00 179.45 176.29 2jsp n TRP 53 N -5.52 0.01 -2.01 1.91 7.02 -1.11 -4.89 117.44 112.85 2jsp n TRP 53 Ca -0.11 -0.01 -0.15 0.00 -1.02 0.00 0.00 57.50 56.22 2jsp n TRP 53 Cb 0.42 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.28 2jsp n TRP 53 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2jsp n ASP 54 N -0.66 -4.22 -4.54 -0.99 8.00 0.05 -4.87 116.55 109.31 2jsp n ASP 54 Ca 0.10 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 2jsp n ASP 54 Cb 0.06 -3.68 -0.05 0.00 -0.02 0.00 0.00 41.12 37.43 2jsp n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jsp n LEU 55 N -2.49 2.47 -4.74 0.64 4.77 0.59 -4.90 117.00 113.34 2jsp n LEU 55 Ca -0.16 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 2jsp n LEU 55 Cb 0.57 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2jsp n LEU 55 CO 0.21 -1.06 1.03 -0.81 -1.33 0.00 0.00 177.39 175.43 2jsp n PRO 56 N 8.75 2.40 -1.56 3.23 -0.04 -1.26 -2.65 135.00 143.87 2jsp n PRO 56 Ca 0.37 0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 64.56 2jsp n PRO 56 Cb 0.42 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 2jsp n PRO 56 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jsp n VAL 57 N 0.28 -0.11 -3.76 0.52 3.14 -1.26 -3.17 118.33 113.97 2jsp n VAL 57 Ca 0.03 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.14 2jsp n VAL 57 Cb 0.38 -1.26 0.01 0.00 -1.06 0.00 0.00 33.84 31.91 2jsp n VAL 57 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2jsp n ASP 58 N -0.64 -4.89 -4.35 6.55 5.75 -1.08 -4.89 116.55 112.99 2jsp n ASP 58 Ca -0.12 -0.86 -0.41 0.00 -0.01 0.00 0.00 54.79 53.38 2jsp n ASP 58 Cb 0.44 -1.60 0.01 0.00 -1.03 0.00 0.00 41.12 38.94 2jsp n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jsp n TYR 59 N -2.27 -1.63 -1.77 2.11 4.11 -1.19 -4.83 117.16 111.69 2jsp n TYR 59 Ca -0.29 0.58 -0.42 0.00 -0.00 0.00 0.00 57.90 57.76 2jsp n TYR 59 Cb 0.70 -1.84 -0.03 0.00 -0.00 0.00 0.00 39.34 38.17 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2jsp s PRO 60 N -1.27 4.15 -0.01 -3.48 0.04 -1.26 -4.89 135.00 128.28 2jsp s PRO 60 Ca 0.61 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2jsp s PRO 60 Cb -0.59 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2jsp s PRO 60 CO 0.61 -0.77 0.82 -1.33 0.04 0.00 0.00 177.00 176.38 2jsp n MET 61 N 4.89 1.07 -3.80 4.56 2.81 -1.26 -4.81 117.12 120.58 2jsp n MET 61 Ca 0.16 -0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 2jsp n MET 61 Cb 0.37 -1.24 -0.09 0.00 -0.71 0.00 0.00 33.22 31.56 2jsp n MET 61 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jsp s VAL 62 N -0.50 0.07 0.01 2.03 1.01 -1.26 -0.06 120.40 121.70 2jsp s VAL 62 Ca 0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2jsp s VAL 62 Cb 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 2jsp s VAL 62 CO 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 175.10 174.83 2jsp n ALA 63 N 1.29 -0.98 -0.33 5.51 0.00 0.44 -4.79 120.51 121.65 2jsp n ALA 63 Ca -0.22 0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.45 2jsp n ALA 63 Cb 0.56 -0.10 0.41 0.00 0.00 0.00 0.00 19.45 20.32 2jsp n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jsp h PRO 64 N 0.10 0.38 0.00 0.00 0.13 -1.90 -0.37 132.00 130.34 2jsp h PRO 64 Ca -0.02 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 2jsp h PRO 64 Cb 0.09 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2jsp h PRO 64 CO 0.04 0.25 -0.56 0.00 -0.23 0.00 0.00 178.00 177.50 2jsp n ALA 65 N -2.36 3.47 -0.16 -0.56 0.00 -1.26 -4.28 120.51 115.35 2jsp n ALA 65 Ca 0.28 -3.17 -0.02 0.00 0.00 0.00 0.00 53.44 50.54 2jsp n ALA 65 Cb 0.85 -0.40 0.07 0.00 0.00 0.00 0.00 19.45 19.97 2jsp n ALA 65 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2jsp h TYR 66 N 0.98 0.05 -1.19 0.00 5.03 -1.37 -3.32 116.97 117.14 2jsp h TYR 66 Ca -0.03 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 61.10 2jsp h TYR 66 Cb 1.11 0.06 -0.19 0.00 1.55 0.00 0.00 36.73 39.25 2jsp h TYR 66 CO 0.67 -0.07 -0.57 0.00 -1.32 0.00 0.00 178.16 176.87 2jsp n ALA 67 N -2.62 -1.15 -3.88 1.82 0.00 -1.26 -4.97 120.51 108.45 2jsp n ALA 67 Ca 0.06 -1.35 -0.31 0.00 0.00 0.00 0.00 53.44 51.84 2jsp n ALA 67 Cb 0.27 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2jsp n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jsp n GLU 68 N 2.90 -3.29 -2.12 0.00 4.07 -1.25 -2.28 120.64 118.67 2jsp n GLU 68 Ca 0.20 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2jsp n GLU 68 Cb 0.55 -5.12 0.00 0.00 -0.06 0.00 0.00 31.44 26.81 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n ALA 69 N -4.04 -0.70 -2.62 4.31 0.00 -1.26 -4.83 120.51 111.36 2jsp n ALA 69 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2jsp n ALA 69 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 2jsp n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jsp n ARG 70 N -0.82 0.67 -3.75 0.00 0.63 -0.97 -4.84 116.66 107.58 2jsp n ARG 70 Ca 0.00 -2.54 -0.34 0.00 -0.92 0.00 0.00 57.85 54.05 2jsp n ARG 70 Cb 0.00 -0.60 0.04 0.00 0.45 0.00 0.00 32.46 32.35 2jsp n ARG 70 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jsp n SER 71 N 0.05 -5.15 -3.89 6.15 2.88 -1.26 -1.22 113.62 111.18 2jsp n SER 71 Ca 0.06 -1.05 -0.31 0.00 -1.33 0.00 0.00 58.87 56.24 2jsp n SER 71 Cb 1.01 -2.99 0.01 0.00 -0.75 0.00 0.00 64.21 61.48 2jsp n SER 71 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jsp n ARG 72 N -4.23 -4.52 -2.65 -1.46 0.63 -1.24 -3.40 116.66 99.78 2jsp n ARG 72 Ca -0.10 0.52 -0.03 0.00 -0.92 0.00 0.00 57.85 57.32 2jsp n ARG 72 Cb 0.59 -5.35 0.00 0.00 0.45 0.00 0.00 32.46 28.15 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2jsp n LEU 73 N -4.43 -7.46 0.00 6.15 7.94 -1.02 -5.01 117.00 113.17 2jsp n LEU 73 Ca 0.04 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2jsp n LEU 73 Cb 0.52 -3.16 0.00 0.00 0.53 0.00 0.00 43.42 41.31 2jsp n LEU 73 CO 0.74 -2.61 0.00 0.00 -1.11 0.00 0.00 177.39 174.41 2jsp n ALA 74 N 0.24 0.00 -3.08 1.96 0.00 -0.46 -5.12 120.51 114.06 2jsp n ALA 74 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2jsp n ALA 74 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.64 2jsp n ALA 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jsp n LYS 75 N -1.66 -2.07 -3.57 0.00 4.81 -0.36 -5.03 118.16 110.28 2jsp n LYS 75 Ca 0.00 1.80 -0.05 0.00 -0.87 0.00 0.00 58.31 59.18 2jsp n LYS 75 Cb 0.00 -3.62 -0.02 0.00 0.02 0.00 0.00 35.03 31.41 2jsp n LYS 75 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jsp s GLU 76 N -2.02 0.44 0.09 1.64 2.12 -1.26 -5.08 118.70 114.63 2jsp s GLU 76 Ca 0.18 -0.16 0.05 0.00 0.36 0.00 0.00 54.97 55.40 2jsp s GLU 76 Cb -0.03 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 2jsp s GLU 76 CO 0.64 -0.19 -0.13 0.00 -0.54 0.00 0.00 175.26 175.05 2jsp s MET 77 N -2.60 0.88 0.00 4.30 0.23 -1.26 -4.98 119.30 115.87 2jsp s MET 77 Ca 0.08 -1.10 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 2jsp s MET 77 Cb -0.01 -0.74 0.00 0.00 -1.53 0.00 0.00 34.83 32.55 2jsp s MET 77 CO -0.06 0.14 0.00 0.41 -2.03 0.00 0.00 175.02 173.48 2jsp n GLY 78 N 0.82 0.17 2.18 3.16 0.00 -1.26 -5.12 105.19 105.14 2jsp n GLY 78 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jsp n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jsp n LEU 79 N 0.00 -3.22 -2.42 0.99 4.77 -1.26 -4.97 117.00 110.89 2jsp n LEU 79 Ca 0.00 0.72 -0.01 0.00 -0.03 0.00 0.00 56.01 56.69 2jsp n LEU 79 Cb 0.00 3.09 0.00 0.00 -2.33 0.00 0.00 43.42 44.18 2jsp n LEU 79 CO 0.00 0.09 0.18 0.61 -1.33 0.00 0.00 177.39 176.94 2jsp n GLY 80 N -1.25 -0.90 3.21 -0.72 0.00 -1.26 -4.66 105.19 99.61 2jsp n GLY 80 Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2jsp n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsp s GLN 81 N -2.81 3.16 -0.13 1.61 -0.44 -1.26 -4.95 119.66 114.84 2jsp s GLN 81 Ca 0.03 -2.58 -0.30 0.00 -2.50 0.00 0.00 55.36 50.00 2jsp s GLN 81 Cb -0.01 -4.10 0.12 0.00 -1.64 0.00 0.00 33.01 27.38 2jsp s GLN 81 CO 0.45 -1.24 0.98 0.50 0.50 0.00 0.00 175.29 176.48 2jsp s ARG 82 N -0.10 0.64 -0.75 1.67 3.52 -1.26 -5.12 118.95 117.55 2jsp s ARG 82 Ca 0.19 0.04 -0.16 0.00 -0.13 0.00 0.00 55.73 55.67 2jsp s ARG 82 Cb -0.14 0.30 0.18 0.00 -1.56 0.00 0.00 34.95 33.72 2jsp s ARG 82 CO -0.07 -0.22 0.74 1.03 -0.81 0.00 0.00 175.30 175.97 2jsp s ARG 83 N -1.60 3.40 -0.29 5.12 0.52 -1.26 -4.93 118.95 119.91 2jsp s ARG 83 Ca 0.00 -2.08 0.05 0.00 -0.52 0.00 0.00 55.73 53.19 2jsp s ARG 83 Cb -0.01 -4.44 0.20 0.00 0.52 0.00 0.00 34.95 31.23 2jsp s ARG 83 CO -0.01 -1.38 0.60 0.21 0.02 0.00 0.00 175.30 174.74 2jsp s LYS 84 N 1.08 0.55 0.09 3.54 2.47 -1.26 -5.16 119.74 121.04 2jsp s LYS 84 Ca 0.15 0.56 -0.26 0.00 -1.56 0.00 0.00 55.97 54.86 2jsp s LYS 84 Cb -0.16 0.26 0.09 0.00 -1.46 0.00 0.00 37.83 36.56 2jsp s LYS 84 CO -0.04 -1.02 1.13 0.00 0.16 0.00 0.00 175.35 175.58 2jsp s ALA 85 N 2.83 -1.93 0.39 3.13 0.00 -1.26 -5.04 121.76 119.88 2jsp s ALA 85 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2jsp s ALA 85 Cb -0.10 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2jsp s ALA 85 CO -0.26 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.72 2jsp n ASN 86 N -0.83 -5.46 0.00 0.00 5.15 -1.26 -5.17 115.26 107.69 2jsp n ASN 86 Ca -0.04 1.18 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 2jsp n ASN 86 Cb 0.60 -3.03 0.00 0.00 -0.53 0.00 0.00 39.78 36.83 2jsp n ASN 86 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55