#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp n VAL 2 N 0.00 3.12 -4.14 0.00 0.24 -1.26 -4.96 118.33 111.32 2jsp n VAL 2 Ca 0.00 -4.53 -0.10 0.00 -2.04 0.00 0.00 64.34 57.68 2jsp n VAL 2 Cb 0.00 -1.25 -0.10 0.00 -1.47 0.00 0.00 33.84 31.02 2jsp n VAL 2 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2jsp s ASN 3 N -2.06 0.31 0.00 -1.34 2.47 -1.26 -3.11 114.94 109.96 2jsp s ASN 3 Ca 0.51 -1.19 0.00 0.00 0.42 0.00 0.00 52.86 52.60 2jsp s ASN 3 Cb 0.43 0.29 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 2jsp s ASN 3 CO -0.32 -0.72 0.00 0.55 -3.72 0.00 0.00 177.10 172.88 2jsp n VAL 4 N -0.08 0.00 -3.10 -5.21 3.14 -1.26 -4.33 118.33 107.49 2jsp n VAL 4 Ca -0.06 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.20 2jsp n VAL 4 Cb 0.64 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.38 2jsp n VAL 4 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2jsp s GLU 5 N 0.00 0.91 0.00 1.45 2.02 -1.26 -5.02 118.70 116.81 2jsp s GLU 5 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2jsp s GLU 5 Cb 0.00 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.72 2jsp s GLU 5 CO 0.00 -1.30 0.00 1.17 0.02 0.00 0.00 175.26 175.15 2jsp n LYS 6 N 3.36 0.00 -0.85 1.61 3.00 -1.26 -5.00 118.16 119.02 2jsp n LYS 6 Ca 0.19 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.34 2jsp n LYS 6 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.43 2jsp n LYS 6 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jsp n GLN 7 N -0.55 0.00 -4.11 1.64 7.27 -1.18 -4.57 117.38 115.88 2jsp n GLN 7 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 2jsp n GLN 7 Cb 0.00 -0.66 -0.11 0.00 2.41 0.00 0.00 30.24 31.88 2jsp n GLN 7 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2jsp s LYS 8 N 4.36 0.65 -0.60 3.69 -2.85 -1.18 -4.84 119.74 118.97 2jsp s LYS 8 Ca 0.75 -0.99 -0.26 0.00 -1.00 0.00 0.00 55.97 54.48 2jsp s LYS 8 Cb -0.56 -0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 34.91 2jsp s LYS 8 CO 0.31 0.02 2.02 -1.25 0.10 0.00 0.00 175.35 176.55 2jsp s PRO 9 N -2.46 2.47 -1.02 1.78 0.04 -1.26 -2.24 135.00 132.30 2jsp s PRO 9 Ca -0.01 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 2jsp s PRO 9 Cb -0.04 -4.48 -0.08 0.00 0.04 0.00 0.00 34.50 29.94 2jsp s PRO 9 CO -0.02 -2.94 2.17 0.00 0.04 0.00 0.00 177.00 176.25 2jsp n ALA 10 N 13.74 4.71 -0.31 8.56 0.00 -1.26 -4.92 120.51 141.02 2jsp n ALA 10 Ca 0.26 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2jsp n ALA 10 Cb 0.52 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 4.82 0.00 -3.50 0.00 0.24 -1.26 -4.77 118.33 113.86 2jsp n VAL 11 Ca 0.51 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.55 2jsp n VAL 11 Cb 0.26 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 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 6.37 0.56 -1.34 0.15 -1.26 -5.02 113.70 109.16 2jsp s SER 12 Ca 0.00 0.49 0.41 0.00 0.70 0.00 0.00 55.95 57.55 2jsp s SER 12 Cb 0.00 -2.05 1.58 0.00 -1.71 0.00 0.00 66.02 63.84 2jsp s SER 12 CO 0.00 -0.17 1.68 1.62 1.20 0.00 0.00 173.24 177.57 2jsp h VAL 13 N 1.22 0.21 -0.85 4.45 3.04 -1.97 -2.35 116.25 120.00 2jsp h VAL 13 Ca -0.49 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 65.52 2jsp h VAL 13 Cb 1.20 0.23 -0.15 0.00 -2.01 0.00 0.00 31.29 30.55 2jsp h VAL 13 CO 0.65 0.00 0.33 0.54 -1.01 0.00 0.00 177.57 178.08 2jsp n ARG 14 N -3.99 -0.06 -2.45 4.17 5.12 -1.26 -1.27 116.66 116.94 2jsp n ARG 14 Ca 0.32 1.20 -0.13 0.00 -1.93 0.00 0.00 57.85 57.30 2jsp n ARG 14 Cb 1.55 -2.08 0.03 0.00 -1.16 0.00 0.00 32.46 30.81 2jsp n ARG 14 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2jsp n LYS 15 N -5.00 2.63 0.14 5.56 4.81 -0.88 -4.78 118.16 120.64 2jsp n LYS 15 Ca 0.29 -3.85 -0.01 0.00 -0.87 0.00 0.00 58.31 53.86 2jsp n LYS 15 Cb 0.97 -1.92 0.22 0.00 0.02 0.00 0.00 35.03 34.32 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2jsp h SER 16 N 2.46 0.07 -2.87 3.14 0.02 -1.30 -3.43 113.55 111.63 2jsp h SER 16 Ca 0.12 -0.03 -0.56 0.00 -0.84 0.00 0.00 61.79 60.47 2jsp h SER 16 Cb 1.35 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 2jsp h SER 16 CO 0.51 0.57 0.92 -0.69 -1.14 0.00 0.00 176.83 177.00 2jsp s VAL 17 N -3.86 4.13 0.09 2.27 1.01 -1.26 -2.70 120.40 120.07 2jsp s VAL 17 Ca -0.02 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.34 2jsp s VAL 17 Cb 0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2jsp s VAL 17 CO 0.76 -0.11 0.02 0.00 0.00 0.00 0.00 175.10 175.77 2jsp n GLN 18 N 6.52 1.05 -1.97 2.72 6.02 -0.81 -5.02 117.38 125.89 2jsp n GLN 18 Ca 0.14 -0.70 -0.25 0.00 -0.01 0.00 0.00 57.00 56.18 2jsp n GLN 18 Cb 0.45 0.34 -0.07 0.00 1.02 0.00 0.00 30.24 31.97 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 -1.51 4.70 -1.46 1.08 1.11 -1.26 -3.59 116.67 115.74 2jsp s ASP 19 Ca 0.03 -1.46 -0.05 0.00 0.18 0.00 0.00 52.55 51.26 2jsp s ASP 19 Cb 0.00 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.42 2jsp s ASP 19 CO 0.02 -3.42 0.43 0.47 1.18 0.00 0.00 175.17 173.85 2jsp n ASP 20 N 15.49 -5.25 -3.70 0.27 8.00 -1.26 -4.99 116.55 125.11 2jsp n ASP 20 Ca 0.44 -0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 2jsp n ASP 20 Cb 0.47 -4.30 -0.12 0.00 -0.02 0.00 0.00 41.12 37.14 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 -3.03 -0.44 -0.26 1.24 -3.43 -1.24 -4.30 115.29 103.83 2jsp s HIS 21 Ca 0.25 0.99 -0.09 0.00 -0.80 0.00 0.00 55.06 55.41 2jsp s HIS 21 Cb -0.12 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 2jsp s HIS 21 CO 0.31 -0.31 0.12 -1.50 -2.00 0.00 0.00 174.74 171.36 2jsp s ILE 22 N 1.70 4.75 0.07 -5.38 -1.16 0.11 -1.92 121.20 119.38 2jsp s ILE 22 Ca -0.06 -0.02 -0.31 0.00 -0.51 0.00 0.00 60.65 59.75 2jsp s ILE 22 Cb -0.11 -3.24 -0.07 0.00 0.61 0.00 0.00 42.46 39.66 2jsp s ILE 22 CO -0.10 0.31 1.34 0.54 -2.81 0.00 0.00 174.94 174.22 2jsp s VAL 23 N 1.62 3.61 -0.53 4.00 0.11 -1.10 -2.33 120.40 125.78 2jsp s VAL 23 Ca 0.07 1.12 -0.28 0.00 -2.93 0.00 0.00 61.98 59.95 2jsp s VAL 23 Cb -0.15 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2jsp s VAL 23 CO 0.07 0.06 1.35 0.00 -3.33 0.00 0.00 175.10 173.25 2jsp s LEU 25 N 5.61 4.33 -1.59 0.00 2.01 -1.26 0.28 118.68 128.07 2jsp s LEU 25 Ca 0.52 2.77 0.00 0.00 0.01 0.00 0.00 54.13 57.42 2jsp s LEU 25 Cb -0.10 -3.74 0.00 0.00 0.01 0.00 0.00 46.19 42.36 2jsp s LEU 25 CO 0.27 -0.72 0.00 1.21 1.01 0.00 0.00 176.35 178.12 2jsp n GLU 26 N 0.50 -1.57 0.09 1.70 2.13 -0.95 -4.66 120.64 117.87 2jsp n GLU 26 Ca 0.01 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.86 2jsp n GLU 26 Cb 0.42 -5.42 0.00 0.00 0.27 0.00 0.00 31.44 26.71 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 1.75 3.16 3.53 0.00 0.00 0.14 -3.08 105.19 110.70 2jsp n GLY 28 Ca 0.00 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.00 3.31 -0.02 0.00 -1.26 -4.13 105.19 102.09 2jsp n GLY 29 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.24 2.74 0.20 1.61 0.15 -1.26 -0.82 113.70 115.09 2jsp s SER 30 Ca 0.72 -0.70 -0.23 0.00 0.70 0.00 0.00 55.95 56.44 2jsp s SER 30 Cb -0.43 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.77 2jsp s SER 30 CO 0.51 0.09 0.81 0.72 1.20 0.00 0.00 173.24 176.57 2jsp s PHE 31 N -1.13 -0.22 0.34 3.44 -0.12 -0.98 -4.89 117.98 114.41 2jsp s PHE 31 Ca 0.08 -0.14 0.13 0.00 -0.05 0.00 0.00 56.93 56.95 2jsp s PHE 31 Cb -0.10 0.66 0.65 0.00 -0.63 0.00 0.00 43.02 43.60 2jsp s PHE 31 CO 0.05 -1.00 1.78 0.87 -0.05 0.00 0.00 175.22 176.86 2jsp h LYS 32 N 2.00 0.00 -3.65 1.99 1.57 -1.87 0.33 116.57 116.94 2jsp h LYS 32 Ca -0.23 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.10 2jsp h LYS 32 Cb 1.25 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.17 2jsp h LYS 32 CO 0.26 0.43 -0.77 -1.54 -0.57 0.00 0.00 179.45 177.26 2jsp s SER 33 N -6.86 1.81 0.06 0.86 1.04 -1.26 -0.27 113.70 109.08 2jsp s SER 33 Ca -0.02 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 2jsp s SER 33 Cb 0.14 -0.46 -0.30 0.00 0.10 0.00 0.00 66.02 65.50 2jsp s SER 33 CO 0.73 -0.22 1.08 0.25 0.98 0.00 0.00 173.24 176.06 2jsp h LEU 34 N 8.32 0.54 -0.47 2.42 7.12 -1.65 -3.40 115.31 128.19 2jsp h LEU 34 Ca -0.19 -0.59 0.04 0.00 0.13 0.00 0.00 57.88 57.28 2jsp h LEU 34 Cb 1.12 -0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 41.02 2jsp h LEU 34 CO 0.27 1.46 -0.28 1.17 -0.13 0.00 0.00 178.44 180.94 2jsp n LYS 35 N -3.58 -0.21 0.09 1.25 0.00 -1.00 0.34 118.16 115.06 2jsp n LYS 35 Ca -0.11 1.13 -0.06 0.00 0.00 0.00 0.00 58.31 59.26 2jsp n LYS 35 Cb 1.05 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 34.37 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 -0.33 -0.88 1.64 3.08 -1.92 -1.80 114.38 114.16 2jsp h ARG 36 Ca 0.07 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.29 2jsp h ARG 36 Cb 0.19 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.17 2jsp h ARG 36 CO -0.44 -0.22 -0.32 1.58 -1.07 0.00 0.00 179.97 179.51 2jsp n HIS 37 N -3.46 0.10 0.00 3.04 -0.00 -0.94 -0.41 115.22 113.55 2jsp n HIS 37 Ca -0.04 1.09 0.00 0.00 0.46 0.00 0.00 57.72 59.23 2jsp n HIS 37 Cb 0.16 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.16 2jsp n HIS 37 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2jsp n LEU 38 N -5.34 0.00 0.06 0.27 -0.00 0.15 -0.21 117.00 111.94 2jsp n LEU 38 Ca 0.10 0.99 0.14 0.00 -0.00 0.00 0.00 56.01 57.24 2jsp n LEU 38 Cb 0.38 -0.49 0.62 0.00 -0.00 0.00 0.00 43.42 43.93 2jsp n LEU 38 CO -0.12 -0.49 1.15 0.74 -0.00 0.00 0.00 177.39 178.67 2jsp h THR 39 N 0.00 0.87 0.29 1.96 2.02 -0.43 0.82 112.91 118.44 2jsp h THR 39 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2jsp h THR 39 Cb 0.00 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2jsp h THR 39 CO 0.00 0.02 -0.14 0.74 0.37 0.00 0.00 175.52 176.51 2jsp h THR 40 N 0.12 0.65 0.00 3.16 2.02 -0.59 -3.29 112.91 114.98 2jsp h THR 40 Ca 0.18 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2jsp h THR 40 Cb 0.55 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2jsp h THR 40 CO -0.02 0.13 0.00 1.41 0.37 0.00 0.00 175.52 177.41 2jsp n HIS 41 N -5.09 0.00 0.29 3.16 8.25 0.71 -4.52 115.22 118.02 2jsp n HIS 41 Ca -0.09 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.55 2jsp n HIS 41 Cb 0.27 -0.00 0.89 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 -1.79 4.41 -0.00 -1.60 -3.49 115.15 112.69 2jsp h HIS 42 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 2jsp h HIS 42 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2jsp h HIS 42 CO 0.00 0.00 -0.10 0.43 -0.00 0.00 0.00 177.93 178.26 2jsp n SER 43 N -3.17 -5.16 -0.82 2.45 7.64 0.27 -4.91 113.62 109.93 2jsp n SER 43 Ca -0.00 0.29 0.11 0.00 1.01 0.00 0.00 58.87 60.27 2jsp n SER 43 Cb 0.34 -0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.03 -1.72 -2.82 1.43 2.81 -1.26 -3.79 117.12 109.75 2jsp n MET 44 Ca 0.00 1.22 -0.33 0.00 -1.81 0.00 0.00 57.70 56.79 2jsp n MET 44 Cb 0.12 -2.07 -0.07 0.00 -0.71 0.00 0.00 33.22 30.50 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 -2.29 4.43 0.23 2.03 -4.23 -1.26 -3.71 115.64 110.84 2jsp s THR 45 Ca 0.00 1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.87 2jsp s THR 45 Cb 0.00 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.43 2jsp s THR 45 CO 0.00 -0.34 1.83 1.55 -0.54 0.00 0.00 174.62 177.13 2jsp h PRO 46 N 1.86 0.83 -0.48 3.99 0.13 -1.91 -0.63 132.00 135.80 2jsp h PRO 46 Ca -0.49 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2jsp h PRO 46 Cb 1.18 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2jsp h PRO 46 CO 0.61 0.55 0.31 0.93 -0.23 0.00 0.00 178.00 180.18 2jsp h GLU 47 N 0.86 0.62 -0.51 0.86 3.07 -1.95 -1.28 114.58 116.25 2jsp h GLU 47 Ca 0.36 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2jsp h GLU 47 Cb 0.21 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2jsp h GLU 47 CO -0.19 0.41 0.19 1.49 -1.40 0.00 0.00 179.01 179.51 2jsp h GLU 48 N 0.64 0.77 -0.86 2.33 4.22 -1.80 -2.38 114.58 117.50 2jsp h GLU 48 Ca 0.18 -0.15 0.15 0.00 0.08 0.00 0.00 59.36 59.61 2jsp h GLU 48 Cb -0.06 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 28.97 2jsp h GLU 48 CO -0.05 0.69 0.45 -0.92 -2.18 0.00 0.00 179.01 177.01 2jsp h TYR 49 N 0.69 0.79 -0.45 0.92 5.03 -0.98 -0.95 116.97 122.01 2jsp h TYR 49 Ca 0.17 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.56 2jsp h TYR 49 Cb 0.22 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 2jsp h TYR 49 CO 0.01 0.20 0.30 0.07 -1.32 0.00 0.00 178.16 177.41 2jsp h ARG 50 N 0.64 0.42 -0.61 1.82 -0.00 -0.68 -2.07 114.38 113.89 2jsp h ARG 50 Ca 0.46 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.98 60.35 2jsp h ARG 50 Cb 0.65 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.50 2jsp h ARG 50 CO -0.36 0.28 0.12 1.49 -0.00 0.00 0.00 179.97 181.51 2jsp h GLU 51 N 0.44 1.00 0.02 0.08 4.81 -1.12 0.11 114.58 119.91 2jsp h GLU 51 Ca 0.19 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2jsp h GLU 51 Cb 0.20 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2jsp h GLU 51 CO -0.05 0.93 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.50 2jsp h LYS 52 N 0.91 -0.58 0.00 1.92 1.63 -1.36 -0.55 116.57 118.54 2jsp h LYS 52 Ca 0.19 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2jsp h LYS 52 Cb 0.39 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2jsp h LYS 52 CO 0.01 -0.39 0.00 0.91 -3.45 0.00 0.00 179.45 176.53 2jsp n TRP 53 N -5.46 0.00 -2.94 1.91 7.02 -1.18 -4.92 117.44 111.87 2jsp n TRP 53 Ca -0.06 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.21 2jsp n TRP 53 Cb 0.38 -0.09 0.01 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.09 -4.87 -4.56 -0.99 8.00 -0.01 -4.87 116.55 108.15 2jsp n ASP 54 Ca 0.19 -0.19 -0.46 0.00 0.71 0.00 0.00 54.79 55.05 2jsp n ASP 54 Cb 0.14 -4.01 -0.05 0.00 -0.02 0.00 0.00 41.12 37.18 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 -3.57 2.95 -4.71 0.64 7.99 0.16 -4.93 117.00 115.54 2jsp n LEU 55 Ca -0.10 0.37 -0.37 0.00 -0.01 0.00 0.00 56.01 55.89 2jsp n LEU 55 Cb 0.60 -1.44 0.06 0.00 -0.11 0.00 0.00 43.42 42.53 2jsp n LEU 55 CO 0.40 -0.61 0.84 -0.81 -1.51 0.00 0.00 177.39 175.70 2jsp n PRO 56 N 8.33 1.13 -1.62 3.23 -0.04 -1.26 -2.45 135.00 142.33 2jsp n PRO 56 Ca 0.33 0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2jsp n PRO 56 Cb 0.36 -2.46 -0.05 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 -1.79 -0.14 -3.39 0.52 3.14 -1.26 -2.64 118.33 112.78 2jsp n VAL 57 Ca 0.15 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.30 2jsp n VAL 57 Cb 0.47 -1.47 -0.01 0.00 -1.06 0.00 0.00 33.84 31.78 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 -0.85 -3.25 -0.13 6.55 5.75 -1.02 -4.81 116.55 118.78 2jsp n ASP 58 Ca -0.15 -0.39 -0.02 0.00 -0.01 0.00 0.00 54.79 54.23 2jsp n ASP 58 Cb 0.49 -2.72 -0.00 0.00 -1.03 0.00 0.00 41.12 37.86 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 -3.80 0.01 -1.92 2.11 9.36 -1.08 -4.81 117.16 117.03 2jsp n TYR 59 Ca -0.00 0.03 -0.42 0.00 3.32 0.00 0.00 57.90 60.83 2jsp n TYR 59 Cb 0.53 -0.06 -0.03 0.00 -0.63 0.00 0.00 39.34 39.15 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jsp s PRO 60 N -0.01 4.20 -0.13 2.98 0.04 -1.26 -4.91 135.00 135.91 2jsp s PRO 60 Ca 0.02 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2jsp s PRO 60 Cb -0.03 -3.35 0.16 0.00 0.04 0.00 0.00 34.50 31.32 2jsp s PRO 60 CO 0.02 -0.67 1.45 -1.33 0.04 0.00 0.00 177.00 176.51 2jsp n MET 61 N 4.68 1.35 -4.11 4.56 2.81 -1.26 -4.83 117.12 120.32 2jsp n MET 61 Ca 0.15 -0.80 -0.09 0.00 -1.81 0.00 0.00 57.70 55.15 2jsp n MET 61 Cb 0.39 -1.31 -0.10 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.96 0.12 0.18 2.03 1.01 -1.26 -1.85 120.40 119.67 2jsp s VAL 62 Ca 0.15 -1.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.05 2jsp s VAL 62 Cb 0.13 -1.91 -0.16 0.00 0.00 0.00 0.00 36.38 34.44 2jsp s VAL 62 CO 0.02 -0.55 0.47 0.00 0.00 0.00 0.00 175.10 175.04 2jsp n ALA 63 N -0.07 -2.72 -0.31 5.51 0.00 0.63 -4.83 120.51 118.72 2jsp n ALA 63 Ca -0.07 0.40 0.26 0.00 0.00 0.00 0.00 53.44 54.03 2jsp n ALA 63 Cb 0.63 -1.47 0.58 0.00 0.00 0.00 0.00 19.45 19.19 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 0.91 0.27 -0.80 0.00 0.13 -1.87 -0.86 132.00 129.77 2jsp h PRO 64 Ca -0.26 -0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.44 2jsp h PRO 64 Cb 1.32 -0.06 -0.41 0.00 0.13 0.00 0.00 31.00 31.97 2jsp h PRO 64 CO 0.52 0.18 -0.98 0.00 -0.23 0.00 0.00 178.00 177.49 2jsp n ALA 65 N -2.56 3.89 -0.07 -0.56 0.00 -1.26 -4.94 120.51 115.01 2jsp n ALA 65 Ca 0.25 -3.39 -0.10 0.00 0.00 0.00 0.00 53.44 50.19 2jsp n ALA 65 Cb 0.97 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 2.54 0.37 -1.14 0.00 3.20 -1.49 -3.47 116.97 116.97 2jsp h TYR 66 Ca 0.10 -0.03 0.24 0.00 3.14 0.00 0.00 58.73 62.18 2jsp h TYR 66 Cb 1.29 -0.11 -0.25 0.00 1.54 0.00 0.00 36.73 39.19 2jsp h TYR 66 CO 0.66 0.39 0.90 0.00 -1.64 0.00 0.00 178.16 178.47 2jsp s ALA 67 N -5.58 -2.11 0.00 1.82 0.00 -1.26 -5.09 121.76 109.54 2jsp s ALA 67 Ca -0.13 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2jsp s ALA 67 Cb 0.08 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2jsp s ALA 67 CO 0.72 -0.31 0.00 -1.91 0.00 0.00 0.00 175.76 174.25 2jsp n GLU 68 N 0.42 0.00 -2.67 0.00 4.07 -1.26 -4.92 120.64 116.28 2jsp n GLU 68 Ca -0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 2jsp n GLU 68 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 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 5.64 -0.80 -2.73 4.31 0.00 -1.07 -4.96 120.51 120.90 2jsp n ALA 69 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 2jsp n ALA 69 Cb 0.00 -2.46 -0.15 0.00 0.00 0.00 0.00 19.45 16.84 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 -5.31 0.74 -0.04 0.00 3.00 -1.23 -4.65 118.95 111.47 2jsp s ARG 70 Ca 0.12 -0.31 -0.01 0.00 -1.00 0.00 0.00 55.73 54.53 2jsp s ARG 70 Cb -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 34.95 34.18 2jsp s ARG 70 CO 0.14 0.18 0.02 0.45 0.00 0.00 0.00 175.30 176.09 2jsp n SER 71 N 2.92 -6.67 -0.25 -2.12 2.88 -1.26 -2.31 113.62 106.81 2jsp n SER 71 Ca -0.14 0.76 -0.03 0.00 -1.33 0.00 0.00 58.87 58.12 2jsp n SER 71 Cb 0.57 -2.16 -0.01 0.00 -0.75 0.00 0.00 64.21 61.86 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 1.71 -1.62 0.00 -1.46 0.63 -1.26 -4.67 116.66 109.99 2jsp n ARG 72 Ca -0.03 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 2jsp n ARG 72 Cb 0.29 -4.83 0.00 0.00 0.45 0.00 0.00 32.46 28.37 2jsp n ARG 72 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jsp n LEU 73 N -0.37 0.00 0.00 6.15 4.32 -0.98 -4.31 117.00 121.81 2jsp n LEU 73 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2jsp n LEU 73 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2jsp n LEU 73 CO 0.05 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.22 2jsp n ALA 74 N 0.20 0.00 -3.81 -1.18 0.00 -1.26 -2.61 120.51 111.84 2jsp n ALA 74 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2jsp n ALA 74 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2jsp n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jsp n LYS 75 N 0.00 -5.22 -2.77 0.00 5.02 -1.26 -4.95 118.16 108.98 2jsp n LYS 75 Ca 0.00 0.61 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 2jsp n LYS 75 Cb 0.00 -5.32 0.06 0.00 -0.02 0.00 0.00 35.03 29.75 2jsp n LYS 75 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jsp n GLU 76 N -4.49 0.86 0.00 1.97 2.13 -1.26 -5.10 120.64 114.75 2jsp n GLU 76 Ca -0.13 -1.89 0.00 0.00 0.66 0.00 0.00 57.16 55.80 2jsp n GLU 76 Cb 0.60 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp n MET 77 N 1.19 0.00 0.00 5.31 0.00 -1.26 -4.78 117.12 117.57 2jsp n MET 77 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 2jsp n MET 77 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.87 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 0.00 -0.71 0.41 3.17 0.00 -1.26 -5.06 105.19 101.75 2jsp n GLY 78 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.38 0.00 0.99 4.77 -1.26 -5.10 117.00 116.01 2jsp n LEU 79 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2jsp n LEU 79 Cb 0.00 0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2jsp n LEU 79 CO 0.00 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 2jsp n GLY 80 N -1.10 2.03 3.23 -0.72 0.00 -1.26 -4.66 105.19 102.71 2jsp n GLY 80 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.41 0.46 1.61 0.74 -1.26 -5.17 119.66 116.46 2jsp s GLN 81 Ca 0.00 0.41 -0.20 0.00 0.05 0.00 0.00 55.36 55.62 2jsp s GLN 81 Cb 0.00 0.20 -0.10 0.00 1.10 0.00 0.00 33.01 34.21 2jsp s GLN 81 CO 0.00 -0.06 0.98 1.03 -0.55 0.00 0.00 175.29 176.70 2jsp s ARG 82 N 0.06 4.03 0.07 1.67 0.52 -1.26 -5.10 118.95 118.94 2jsp s ARG 82 Ca -0.01 1.16 0.09 0.00 -0.52 0.00 0.00 55.73 56.45 2jsp s ARG 82 Cb -0.03 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 2jsp s ARG 82 CO 0.01 -0.21 -0.24 -0.98 0.02 0.00 0.00 175.30 173.90 2jsp s ARG 83 N -3.37 1.76 -0.27 3.54 1.04 -1.26 -5.12 118.95 115.27 2jsp s ARG 83 Ca 0.63 -1.15 -0.01 0.00 -1.04 0.00 0.00 55.73 54.17 2jsp s ARG 83 Cb -0.11 -2.01 0.16 0.00 -2.04 0.00 0.00 34.95 30.95 2jsp s ARG 83 CO 0.19 0.50 0.47 0.21 -0.04 0.00 0.00 175.30 176.62 2jsp s LYS 84 N -1.53 0.44 0.30 3.89 2.20 -1.26 -5.16 119.74 118.62 2jsp s LYS 84 Ca 0.13 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.04 2jsp s LYS 84 Cb -0.10 -0.09 -0.10 0.00 -1.51 0.00 0.00 37.83 36.03 2jsp s LYS 84 CO 0.04 -0.75 1.11 0.00 -0.36 0.00 0.00 175.35 175.39 2jsp s ALA 85 N 2.66 3.37 0.02 3.13 0.00 -1.26 -5.07 121.76 124.62 2jsp s ALA 85 Ca 0.14 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 2jsp s ALA 85 Cb -0.14 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.74 2jsp s ALA 85 CO -0.21 -0.21 0.79 1.21 0.00 0.00 0.00 175.76 177.34 2jsp s ASN 86 N -0.92 -0.46 0.00 0.00 2.47 -1.26 -5.38 114.94 109.39 2jsp s ASN 86 Ca 0.46 0.13 0.02 0.00 0.42 0.00 0.00 52.86 53.90 2jsp s ASN 86 Cb -0.32 0.46 0.11 0.00 -1.45 0.00 0.00 41.25 40.05 2jsp s ASN 86 CO 0.41 -0.69 0.60 -1.14 -3.72 0.00 0.00 177.10 172.56