#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp h VAL 2 N 0.00 0.42 0.00 0.00 3.04 -2.05 -2.97 116.25 114.70 2jsp h VAL 2 Ca 0.00 -0.08 -0.66 0.00 -1.01 0.00 0.00 66.70 64.95 2jsp h VAL 2 Cb 0.00 0.16 0.01 0.00 -2.01 0.00 0.00 31.29 29.46 2jsp h VAL 2 CO 0.00 0.04 3.54 -0.46 -1.01 0.00 0.00 177.57 179.69 2jsp n ASN 3 N -4.51 7.05 -2.15 3.17 6.94 -1.26 -4.83 115.26 119.67 2jsp n ASN 3 Ca 0.27 -2.63 -0.05 0.00 -0.02 0.00 0.00 54.58 52.16 2jsp n ASN 3 Cb 1.07 -1.54 -0.07 0.00 -2.36 0.00 0.00 39.78 36.89 2jsp n ASN 3 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2jsp n VAL 4 N 4.09 1.37 -2.94 3.53 0.24 -1.12 -4.59 118.33 118.91 2jsp n VAL 4 Ca 0.69 -0.64 -0.05 0.00 -2.04 0.00 0.00 64.34 62.30 2jsp n VAL 4 Cb 0.27 -1.64 0.01 0.00 -1.47 0.00 0.00 33.84 31.00 2jsp n VAL 4 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2jsp n GLU 5 N 2.55 -2.35 0.00 7.34 2.13 -1.26 -4.94 120.64 124.11 2jsp n GLU 5 Ca 0.17 2.04 0.00 0.00 0.66 0.00 0.00 57.16 60.03 2jsp n GLU 5 Cb 0.41 -4.01 0.00 0.00 0.27 0.00 0.00 31.44 28.11 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2jsp n LYS 6 N 0.61 0.00 0.00 5.31 4.81 -1.26 -5.18 118.16 122.45 2jsp n LYS 6 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2jsp n LYS 6 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2jsp n GLN 7 N 0.00 0.00 -3.62 1.64 3.00 -1.26 -5.01 117.38 112.13 2jsp n GLN 7 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2jsp n GLN 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 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 0.00 0.21 -0.44 -1.09 1.02 -1.08 -4.91 119.74 113.46 2jsp s LYS 8 Ca 0.00 0.03 -0.27 0.00 0.02 0.00 0.00 55.97 55.75 2jsp s LYS 8 Cb 0.00 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2jsp s LYS 8 CO 0.00 -0.07 2.05 -1.25 -0.92 0.00 0.00 175.35 175.16 2jsp s PRO 9 N -1.24 2.76 -1.21 -1.68 0.04 -1.26 -3.08 135.00 129.32 2jsp s PRO 9 Ca 0.07 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2jsp s PRO 9 Cb -0.01 -4.39 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 2jsp s PRO 9 CO -0.05 -2.54 2.37 0.00 0.04 0.00 0.00 177.00 176.82 2jsp n ALA 10 N 12.77 5.54 -0.36 8.56 0.00 -1.26 -4.92 120.51 140.84 2jsp n ALA 10 Ca 0.27 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2jsp n ALA 10 Cb 0.50 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.64 2jsp n ALA 10 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jsp n VAL 11 N 4.45 0.00 -2.45 0.00 0.24 -1.26 -4.77 118.33 114.54 2jsp n VAL 11 Ca 0.58 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.60 2jsp n VAL 11 Cb 0.25 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.64 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jsp s SER 12 N -4.00 5.91 0.59 -1.34 0.15 -1.26 -5.00 113.70 108.75 2jsp s SER 12 Ca 0.00 0.85 0.29 0.00 0.70 0.00 0.00 55.95 57.80 2jsp s SER 12 Cb 0.00 -1.98 1.39 0.00 -1.71 0.00 0.00 66.02 63.72 2jsp s SER 12 CO 0.00 -0.86 1.78 1.62 1.20 0.00 0.00 173.24 176.98 2jsp h VAL 13 N -0.03 0.30 -1.20 4.45 3.04 -1.96 -1.98 116.25 118.87 2jsp h VAL 13 Ca -0.46 0.00 0.35 0.00 -1.01 0.00 0.00 66.70 65.58 2jsp h VAL 13 Cb 1.23 0.48 -0.09 0.00 -2.01 0.00 0.00 31.29 30.90 2jsp h VAL 13 CO 0.61 0.00 0.80 0.03 -1.01 0.00 0.00 177.57 178.00 2jsp h ARG 14 N 0.00 0.19 -0.19 4.17 3.08 -1.97 0.04 114.38 119.71 2jsp h ARG 14 Ca 0.31 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.17 2jsp h ARG 14 Cb 1.62 -0.04 -0.21 0.00 0.08 0.00 0.00 29.97 31.42 2jsp h ARG 14 CO -0.00 0.13 -0.74 1.17 -1.07 0.00 0.00 179.97 179.46 2jsp n LYS 15 N -4.53 1.68 -0.01 0.04 4.81 -0.74 -4.81 118.16 114.59 2jsp n LYS 15 Ca 0.30 -3.22 -0.07 0.00 -0.87 0.00 0.00 58.31 54.44 2jsp n LYS 15 Cb 1.18 -1.41 0.10 0.00 0.02 0.00 0.00 35.03 34.92 2jsp n LYS 15 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jsp h SER 16 N 1.39 0.62 -3.60 3.14 0.87 -1.05 -3.41 113.55 111.51 2jsp h SER 16 Ca 0.01 -0.27 -0.62 0.00 -1.23 0.00 0.00 61.79 59.68 2jsp h SER 16 Cb 1.33 -0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.99 2jsp h SER 16 CO 0.19 0.95 -0.05 -0.69 -0.53 0.00 0.00 176.83 176.70 2jsp s VAL 17 N -4.27 5.09 0.00 2.23 1.01 -1.26 -1.30 120.40 121.89 2jsp s VAL 17 Ca -0.08 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2jsp s VAL 17 Cb 0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2jsp s VAL 17 CO 0.83 0.10 0.00 0.00 0.00 0.00 0.00 175.10 176.03 2jsp n GLN 18 N 5.46 2.22 -1.74 2.72 6.02 -0.14 -5.02 117.38 126.90 2jsp n GLN 18 Ca -0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.76 2jsp n GLN 18 Cb 0.50 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.67 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jsp s ASP 19 N -0.07 3.94 -1.43 1.08 1.11 -1.26 -3.09 116.67 116.95 2jsp s ASP 19 Ca 0.00 -1.02 -0.11 0.00 0.18 0.00 0.00 52.55 51.61 2jsp s ASP 19 Cb 0.00 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 2jsp s ASP 19 CO 0.00 -4.18 0.67 0.47 1.18 0.00 0.00 175.17 173.31 2jsp n ASP 20 N 18.06 -4.41 -3.67 0.27 8.00 -1.26 -4.98 116.55 128.56 2jsp n ASP 20 Ca 0.43 -0.52 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 2jsp n ASP 20 Cb 0.46 -3.58 -0.09 0.00 -0.02 0.00 0.00 41.12 37.89 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 -3.10 -0.84 -0.25 1.24 -3.43 -1.18 -4.37 115.29 103.37 2jsp s HIS 21 Ca 0.48 1.63 -0.08 0.00 -0.80 0.00 0.00 55.06 56.30 2jsp s HIS 21 Cb -0.25 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.27 2jsp s HIS 21 CO 0.60 -0.46 0.10 -1.50 -2.00 0.00 0.00 174.74 171.47 2jsp s ILE 22 N 2.08 4.63 -0.03 -5.38 -1.16 0.16 -0.96 121.20 120.54 2jsp s ILE 22 Ca -0.06 -0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 59.72 2jsp s ILE 22 Cb -0.10 -3.16 -0.03 0.00 0.61 0.00 0.00 42.46 39.78 2jsp s ILE 22 CO -0.15 0.34 0.98 0.54 -2.81 0.00 0.00 174.94 173.84 2jsp s VAL 23 N 1.45 4.85 -0.58 4.00 0.11 -0.42 -2.41 120.40 127.40 2jsp s VAL 23 Ca 0.06 2.03 -0.28 0.00 -2.93 0.00 0.00 61.98 60.86 2jsp s VAL 23 Cb -0.15 -4.31 0.02 0.00 -1.53 0.00 0.00 36.38 30.41 2jsp s VAL 23 CO 0.05 0.12 1.35 0.00 -3.33 0.00 0.00 175.10 173.29 2jsp s LEU 25 N 5.78 4.18 -1.15 0.00 2.01 -1.26 -0.26 118.68 127.98 2jsp s LEU 25 Ca 0.49 2.92 0.00 0.00 0.01 0.00 0.00 54.13 57.55 2jsp s LEU 25 Cb -0.10 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.24 2jsp s LEU 25 CO 0.24 -1.06 0.00 1.21 1.01 0.00 0.00 176.35 177.76 2jsp n GLU 26 N 0.02 -1.61 0.08 1.70 2.13 -1.22 -4.65 120.64 117.09 2jsp n GLU 26 Ca 0.04 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2jsp n GLU 26 Cb 0.41 -5.24 0.00 0.00 0.27 0.00 0.00 31.44 26.88 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp n GLY 28 N 2.07 3.29 3.64 0.00 0.00 0.64 -2.62 105.19 112.20 2jsp n GLY 28 Ca 0.00 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.05 3.37 -0.02 0.00 -1.26 -4.30 105.19 102.92 2jsp n GLY 29 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 3.11 0.17 1.61 0.15 -1.26 -1.27 113.70 115.36 2jsp s SER 30 Ca 0.67 -0.77 -0.24 0.00 0.70 0.00 0.00 55.95 56.30 2jsp s SER 30 Cb -0.50 -0.20 0.06 0.00 -1.71 0.00 0.00 66.02 63.67 2jsp s SER 30 CO 0.54 0.12 0.94 0.72 1.20 0.00 0.00 173.24 176.76 2jsp s PHE 31 N -1.33 -0.11 -1.41 3.44 -0.12 -1.01 -4.93 117.98 112.51 2jsp s PHE 31 Ca 0.14 -0.23 0.20 0.00 -0.05 0.00 0.00 56.93 56.99 2jsp s PHE 31 Cb -0.09 0.66 1.00 0.00 -0.63 0.00 0.00 43.02 43.96 2jsp s PHE 31 CO 0.07 -0.89 1.63 1.63 -0.05 0.00 0.00 175.22 177.60 2jsp n LYS 32 N -0.49 0.27 -3.21 1.99 5.02 -1.26 0.39 118.16 120.87 2jsp n LYS 32 Ca -0.06 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 2jsp n LYS 32 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2jsp n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jsp s SER 33 N -2.59 -0.84 0.08 4.39 1.04 -1.26 -0.14 113.70 114.38 2jsp s SER 33 Ca 0.18 -0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.40 2jsp s SER 33 Cb 0.13 1.67 -0.12 0.00 0.10 0.00 0.00 66.02 67.80 2jsp s SER 33 CO 0.31 -0.32 1.36 0.25 0.98 0.00 0.00 173.24 175.82 2jsp h LEU 34 N 8.05 0.67 -0.66 2.42 6.46 -1.14 -3.36 115.31 127.75 2jsp h LEU 34 Ca -0.04 -0.52 0.06 0.00 -0.12 0.00 0.00 57.88 57.26 2jsp h LEU 34 Cb 1.16 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.82 2jsp h LEU 34 CO 0.19 1.06 -0.39 1.17 -0.62 0.00 0.00 178.44 179.85 2jsp n LYS 35 N -4.29 -0.29 0.07 1.25 4.81 0.75 0.43 118.16 120.90 2jsp n LYS 35 Ca -0.05 1.34 -0.06 0.00 -0.87 0.00 0.00 58.31 58.66 2jsp n LYS 35 Cb 0.49 -1.97 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 2jsp n LYS 35 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2jsp h ARG 36 N 0.00 -0.30 -0.92 1.64 0.11 -1.87 -0.35 114.38 112.70 2jsp h ARG 36 Ca 0.11 0.02 0.19 0.00 0.10 0.00 0.00 59.98 60.40 2jsp h ARG 36 Cb 0.27 0.07 -0.17 0.00 1.11 0.00 0.00 29.97 31.25 2jsp h ARG 36 CO -0.62 -0.20 -0.20 1.25 0.10 0.00 0.00 179.97 180.29 2jsp h HIS 37 N -0.31 -0.44 0.06 4.08 2.76 -1.59 0.25 115.15 119.96 2jsp h HIS 37 Ca -0.01 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2jsp h HIS 37 Cb 0.28 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2jsp h HIS 37 CO -0.24 -0.39 -0.12 1.25 -1.30 0.00 0.00 177.93 177.13 2jsp h LEU 38 N 0.00 -0.34 -1.83 0.26 7.12 0.47 0.32 115.31 121.31 2jsp h LEU 38 Ca 0.45 0.03 0.12 0.00 0.13 0.00 0.00 57.88 58.61 2jsp h LEU 38 Cb 0.71 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 2jsp h LEU 38 CO -0.93 -0.13 0.36 0.74 -0.13 0.00 0.00 178.44 178.34 2jsp h THR 39 N -0.19 0.83 0.44 1.05 2.02 -0.33 0.66 112.91 117.38 2jsp h THR 39 Ca -0.01 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2jsp h THR 39 Cb 0.18 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2jsp h THR 39 CO -0.05 0.03 -0.21 0.74 0.37 0.00 0.00 175.52 176.41 2jsp h THR 40 N 0.19 0.00 0.00 3.16 2.02 -0.32 -3.30 112.91 114.66 2jsp h THR 40 Ca 0.24 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2jsp h THR 40 Cb 0.72 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2jsp h THR 40 CO -0.04 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.26 2jsp n HIS 41 N -4.58 0.00 0.33 3.16 8.25 0.11 -4.38 115.22 118.10 2jsp n HIS 41 Ca -0.07 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.57 2jsp n HIS 41 Cb 0.23 -0.07 0.99 0.00 1.12 0.00 0.00 29.99 32.26 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 -1.62 4.41 -0.00 -1.61 -3.48 115.15 112.85 2jsp h HIS 42 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2jsp h HIS 42 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2jsp h HIS 42 CO 0.00 0.00 -0.05 0.43 -0.00 0.00 0.00 177.93 178.31 2jsp n SER 43 N -3.02 -4.76 -0.68 2.45 7.64 0.22 -4.92 113.62 110.56 2jsp n SER 43 Ca -0.02 0.14 0.08 0.00 1.01 0.00 0.00 58.87 60.08 2jsp n SER 43 Cb 0.25 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.74 -1.53 -2.37 1.43 2.81 -1.26 -3.68 117.12 110.77 2jsp n MET 44 Ca 0.00 1.21 -0.37 0.00 -1.81 0.00 0.00 57.70 56.73 2jsp n MET 44 Cb 0.06 -1.81 -0.02 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.18 3.34 0.20 2.03 -4.23 -1.26 -3.70 115.64 108.85 2jsp s THR 45 Ca 0.00 1.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.46 2jsp s THR 45 Cb 0.00 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.41 2jsp s THR 45 CO 0.00 0.03 1.79 1.55 -0.54 0.00 0.00 174.62 177.45 2jsp h PRO 46 N 2.41 0.56 -0.69 3.99 0.13 -1.91 -1.12 132.00 135.37 2jsp h PRO 46 Ca -0.49 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2jsp h PRO 46 Cb 1.23 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.18 2jsp h PRO 46 CO 0.62 0.37 0.38 0.93 -0.23 0.00 0.00 178.00 180.07 2jsp h GLU 47 N 0.58 0.68 -0.69 0.86 5.08 -1.95 -1.13 114.58 118.02 2jsp h GLU 47 Ca 0.28 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2jsp h GLU 47 Cb 0.22 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2jsp h GLU 47 CO -0.20 0.45 0.14 1.49 -1.00 0.00 0.00 179.01 179.89 2jsp h GLU 48 N 0.70 1.11 -0.99 2.33 4.57 -1.69 -2.57 114.58 118.04 2jsp h GLU 48 Ca 0.31 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2jsp h GLU 48 Cb 0.21 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2jsp h GLU 48 CO -0.19 1.00 0.65 -0.92 -1.18 0.00 0.00 179.01 178.37 2jsp h TYR 49 N 1.04 1.22 -0.57 0.92 3.20 -0.62 -2.27 116.97 119.89 2jsp h TYR 49 Ca 0.21 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2jsp h TYR 49 Cb 0.40 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2jsp h TYR 49 CO 0.03 0.71 0.38 0.07 -1.64 0.00 0.00 178.16 177.71 2jsp h ARG 50 N 1.26 0.50 -0.78 1.82 -0.00 -0.80 -1.90 114.38 114.48 2jsp h ARG 50 Ca 0.39 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.31 2jsp h ARG 50 Cb -0.02 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 29.80 2jsp h ARG 50 CO -0.12 0.33 0.37 1.49 -0.00 0.00 0.00 179.97 182.05 2jsp h GLU 51 N 0.51 1.12 -0.13 0.08 4.81 -1.39 0.14 114.58 119.73 2jsp h GLU 51 Ca 0.25 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2jsp h GLU 51 Cb 0.32 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2jsp h GLU 51 CO -0.07 0.86 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.70 2jsp h LYS 52 N 1.11 -0.18 -0.10 1.92 1.63 -1.35 -1.43 116.57 118.19 2jsp h LYS 52 Ca 0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2jsp h LYS 52 Cb 0.11 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2jsp h LYS 52 CO -0.03 -0.12 0.00 0.91 -3.45 0.00 0.00 179.45 176.76 2jsp n TRP 53 N -5.29 0.13 -2.51 1.91 7.02 -1.03 -4.91 117.44 112.75 2jsp n TRP 53 Ca -0.03 -0.06 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 2jsp n TRP 53 Cb 0.21 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.10 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 -0.18 -3.70 -4.58 -0.99 8.00 0.01 -4.85 116.55 110.27 2jsp n ASP 54 Ca 0.14 0.17 -0.40 0.00 0.71 0.00 0.00 54.79 55.41 2jsp n ASP 54 Cb 0.20 -3.15 -0.03 0.00 -0.02 0.00 0.00 41.12 38.12 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jsp s LEU 55 N -5.64 3.42 0.46 0.64 1.02 0.28 -4.91 118.68 113.95 2jsp s LEU 55 Ca 0.03 1.10 -0.24 0.00 0.02 0.00 0.00 54.13 55.04 2jsp s LEU 55 Cb -0.02 -3.05 -0.09 0.00 0.02 0.00 0.00 46.19 43.06 2jsp s LEU 55 CO 0.04 -2.17 1.14 -0.81 0.02 0.00 0.00 176.35 174.57 2jsp n PRO 56 N 8.80 1.55 -1.10 1.29 -0.04 -1.26 -2.09 135.00 142.14 2jsp n PRO 56 Ca 0.26 0.56 -0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2jsp n PRO 56 Cb 0.50 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 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 -0.62 0.00 -3.82 0.52 3.14 -1.26 -3.36 118.33 112.93 2jsp n VAL 57 Ca 0.09 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.10 2jsp n VAL 57 Cb 0.41 -1.10 0.04 0.00 -1.06 0.00 0.00 33.84 32.12 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 -0.32 -4.89 -4.40 6.55 5.75 -0.89 -4.92 116.55 113.42 2jsp n ASP 58 Ca -0.08 -1.12 -0.37 0.00 -0.01 0.00 0.00 54.79 53.22 2jsp n ASP 58 Cb 0.43 -2.79 0.06 0.00 -1.03 0.00 0.00 41.12 37.79 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 -4.49 -1.38 -2.04 2.11 4.11 -1.21 -4.89 117.16 109.36 2jsp n TYR 59 Ca -0.10 0.35 -0.42 0.00 -0.00 0.00 0.00 57.90 57.72 2jsp n TYR 59 Cb 0.58 -1.85 -0.03 0.00 -0.00 0.00 0.00 39.34 38.04 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 -2.41 4.23 -0.09 -3.48 0.04 -1.26 -4.92 135.00 127.11 2jsp s PRO 60 Ca 0.63 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2jsp s PRO 60 Cb -0.37 -3.58 0.10 0.00 0.04 0.00 0.00 34.50 30.69 2jsp s PRO 60 CO 0.60 -0.67 1.51 -1.33 0.04 0.00 0.00 177.00 177.15 2jsp n MET 61 N 5.48 1.24 -3.97 4.56 2.81 -1.26 -4.82 117.12 121.16 2jsp n MET 61 Ca 0.15 -0.53 -0.08 0.00 -1.81 0.00 0.00 57.70 55.42 2jsp n MET 61 Cb 0.42 -1.21 -0.09 0.00 -0.71 0.00 0.00 33.22 31.62 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 -0.67 0.16 0.09 2.03 1.01 -1.26 -0.17 120.40 121.59 2jsp s VAL 62 Ca 0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 2jsp s VAL 62 Cb 0.08 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2jsp s VAL 62 CO 0.01 -0.75 0.01 0.00 0.00 0.00 0.00 175.10 174.37 2jsp n ALA 63 N 0.40 -1.72 -0.30 5.51 0.00 0.81 -4.70 120.51 120.51 2jsp n ALA 63 Ca -0.17 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 2jsp n ALA 63 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 2jsp n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jsp n PRO 64 N 0.29 0.80 -0.17 0.00 -0.04 -1.26 -2.40 135.00 132.22 2jsp n PRO 64 Ca 0.02 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2jsp n PRO 64 Cb 0.09 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2jsp n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsp n ALA 65 N 4.79 0.76 -0.14 0.55 0.00 -1.26 -5.04 120.51 120.16 2jsp n ALA 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2jsp n ALA 65 Cb 0.06 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.83 -1.63 0.00 3.20 -1.75 -3.44 116.97 114.17 2jsp h TYR 66 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2jsp h TYR 66 Cb 0.42 -0.27 -0.23 0.00 1.54 0.00 0.00 36.73 38.20 2jsp h TYR 66 CO -0.10 0.59 0.48 0.00 -1.64 0.00 0.00 178.16 177.49 2jsp s ALA 67 N -5.55 -1.91 0.65 1.82 0.00 -1.26 -5.03 121.76 110.48 2jsp s ALA 67 Ca -0.10 1.57 0.40 0.00 0.00 0.00 0.00 51.96 53.83 2jsp s ALA 67 Cb 0.17 -0.65 2.23 0.00 0.00 0.00 0.00 23.12 24.86 2jsp s ALA 67 CO 0.78 -0.31 2.31 1.49 0.00 0.00 0.00 175.76 180.02 2jsp h GLU 68 N 2.74 0.00 -5.86 0.00 4.57 -2.03 -3.47 114.58 110.53 2jsp h GLU 68 Ca -0.20 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.74 2jsp h GLU 68 Cb 1.16 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.80 2jsp h GLU 68 CO 0.31 0.00 -0.56 0.00 -1.18 0.00 0.00 179.01 177.58 2jsp n ALA 69 N -2.12 -2.58 -3.18 2.92 0.00 -1.26 -5.04 120.51 109.25 2jsp n ALA 69 Ca -0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 2jsp n ALA 69 Cb 0.11 -2.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.83 2jsp n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jsp s ARG 70 N -4.29 1.92 -1.13 0.00 3.52 -1.26 -4.89 118.95 112.82 2jsp s ARG 70 Ca 0.18 -0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 54.97 2jsp s ARG 70 Cb -0.05 -1.59 0.01 0.00 -1.56 0.00 0.00 34.95 31.76 2jsp s ARG 70 CO 0.80 0.14 0.73 0.45 -0.81 0.00 0.00 175.30 176.62 2jsp n SER 71 N 3.47 -4.92 -0.47 -2.12 2.88 -1.26 -0.38 113.62 110.83 2jsp n SER 71 Ca -0.20 -1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 56.19 2jsp n SER 71 Cb 0.52 -2.61 -0.02 0.00 -0.75 0.00 0.00 64.21 61.35 2jsp n SER 71 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jsp n ARG 72 N -4.32 -1.79 0.00 -1.46 3.00 -1.26 -4.59 116.66 106.23 2jsp n ARG 72 Ca -0.12 0.56 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 2jsp n ARG 72 Cb 0.59 -4.68 0.00 0.00 0.00 0.00 0.00 32.46 28.36 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2jsp n LEU 73 N -0.66 0.00 0.00 0.55 7.94 0.49 -4.73 117.00 120.59 2jsp n LEU 73 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2jsp n LEU 73 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2jsp n LEU 73 CO 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.36 2jsp n ALA 74 N 6.33 0.00 -3.23 1.96 0.00 -1.26 -4.95 120.51 119.35 2jsp n ALA 74 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jsp n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.30 -1.57 -1.66 0.00 4.81 -1.26 -4.85 118.16 113.33 2jsp n LYS 75 Ca 0.00 1.41 -0.47 0.00 -0.87 0.00 0.00 58.31 58.39 2jsp n LYS 75 Cb 0.00 -4.71 -0.04 0.00 0.02 0.00 0.00 35.03 30.30 2jsp n LYS 75 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jsp n GLU 76 N -1.66 2.26 -1.92 1.64 4.07 -1.26 -0.79 120.64 122.98 2jsp n GLU 76 Ca -0.06 0.81 -0.09 0.00 -0.06 0.00 0.00 57.16 57.76 2jsp n GLU 76 Cb 0.55 -2.76 -0.02 0.00 -0.06 0.00 0.00 31.44 29.15 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n MET 77 N 7.08 -1.88 -2.66 5.31 0.00 -1.26 -4.88 117.12 118.84 2jsp n MET 77 Ca 0.23 0.48 -0.43 0.00 0.00 0.00 0.00 57.70 57.98 2jsp n MET 77 Cb 0.33 -4.86 0.00 0.00 0.00 0.00 0.00 33.22 28.68 2jsp n MET 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jsp n GLY 78 N -0.47 2.78 1.28 3.17 0.00 0.03 -4.24 105.19 107.74 2jsp n GLY 78 Ca -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2jsp n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jsp n LEU 79 N 7.77 0.23 -2.05 0.99 -0.00 -1.26 -5.02 117.00 117.67 2jsp n LEU 79 Ca 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.40 2jsp n LEU 79 Cb 0.45 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.91 2jsp n LEU 79 CO 0.74 -0.22 0.05 0.61 -0.00 0.00 0.00 177.39 178.57 2jsp n GLY 80 N 2.03 0.10 3.71 -3.96 0.00 -1.26 -5.03 105.19 100.78 2jsp n GLY 80 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.59 4.52 0.57 1.61 2.00 -1.26 -5.03 119.66 117.49 2jsp s GLN 81 Ca 0.00 1.56 -0.20 0.00 -2.00 0.00 0.00 55.36 54.72 2jsp s GLN 81 Cb -0.00 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 2jsp s GLN 81 CO 0.31 -0.10 1.23 0.50 -0.50 0.00 0.00 175.29 176.73 2jsp s ARG 82 N 0.91 3.08 -0.19 1.67 3.52 -1.26 -5.03 118.95 121.65 2jsp s ARG 82 Ca 0.54 1.90 -0.02 0.00 -0.13 0.00 0.00 55.73 58.02 2jsp s ARG 82 Cb -0.25 -2.04 -0.00 0.00 -1.56 0.00 0.00 34.95 31.11 2jsp s ARG 82 CO 0.29 -1.14 -0.10 0.50 -0.81 0.00 0.00 175.30 174.03 2jsp s ARG 83 N -3.18 3.28 -0.05 5.12 3.00 -1.26 -5.08 118.95 120.77 2jsp s ARG 83 Ca 0.75 -0.69 -0.05 0.00 -1.00 0.00 0.00 55.73 54.74 2jsp s ARG 83 Cb -0.32 -2.80 0.01 0.00 0.00 0.00 0.00 34.95 31.84 2jsp s ARG 83 CO 0.36 -0.10 0.15 0.21 0.00 0.00 0.00 175.30 175.92 2jsp s LYS 84 N 1.14 0.17 -0.16 5.12 2.20 -1.26 -5.16 119.74 121.79 2jsp s LYS 84 Ca 0.01 0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 2jsp s LYS 84 Cb -0.14 0.08 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 2jsp s LYS 84 CO -0.03 -0.02 0.21 0.00 -0.36 0.00 0.00 175.35 175.15 2jsp s ALA 85 N 0.09 3.68 0.43 3.13 0.00 -1.26 -4.96 121.76 122.87 2jsp s ALA 85 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2jsp s ALA 85 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 2jsp s ALA 85 CO 0.00 0.23 0.08 0.54 0.00 0.00 0.00 175.76 176.61 2jsp s ASN 86 N 0.08 3.16 0.00 0.00 4.22 -1.26 -5.23 114.94 115.91 2jsp s ASN 86 Ca 0.13 -1.62 0.00 0.00 -2.14 0.00 0.00 52.86 49.24 2jsp s ASN 86 Cb -0.12 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.80 2jsp s ASN 86 CO 0.02 -0.85 0.50 -1.14 -2.04 0.00 0.00 177.10 173.60