#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 0.00 0.50 0.00 0.31 -1.26 -4.81 118.33 113.07 2jsp n VAL 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsp n VAL 2 Cb 0.00 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2jsp n VAL 2 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2jsp n ASN 3 N -0.89 1.18 -3.88 4.52 0.23 -1.26 -4.10 115.26 111.06 2jsp n ASN 3 Ca 0.00 -1.01 -0.28 0.00 -0.53 0.00 0.00 54.58 52.76 2jsp n ASN 3 Cb 0.00 -0.25 -0.12 0.00 -2.08 0.00 0.00 39.78 37.33 2jsp n ASN 3 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jsp s VAL 4 N 0.01 2.75 -0.52 3.53 0.11 -1.26 -4.85 120.40 120.17 2jsp s VAL 4 Ca 0.00 -4.13 -0.20 0.00 -2.93 0.00 0.00 61.98 54.72 2jsp s VAL 4 Cb 0.00 -2.82 0.03 0.00 -1.53 0.00 0.00 36.38 32.06 2jsp s VAL 4 CO 0.00 -1.00 0.64 1.21 -3.33 0.00 0.00 175.10 172.62 2jsp n GLU 5 N 2.10 -2.02 0.00 1.54 2.13 -1.26 -4.88 120.64 118.25 2jsp n GLU 5 Ca 0.19 1.69 0.00 0.00 0.66 0.00 0.00 57.16 59.70 2jsp n GLU 5 Cb 0.35 -4.20 0.00 0.00 0.27 0.00 0.00 31.44 27.86 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 -0.69 0.00 -0.74 5.31 4.81 -1.26 -5.12 118.16 120.47 2jsp n LYS 6 Ca -0.01 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.09 2jsp n LYS 6 Cb 0.56 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.55 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 -1.24 0.00 -4.63 1.64 6.02 -1.26 -4.94 117.38 112.97 2jsp n GLN 7 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 2jsp n GLN 7 Cb 0.00 -0.83 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jsp s LYS 8 N 3.03 1.47 0.52 -1.09 1.02 -1.23 -4.82 119.74 118.65 2jsp s LYS 8 Ca 0.65 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2jsp s LYS 8 Cb -0.83 -1.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 2jsp s LYS 8 CO 0.38 0.42 1.33 -1.25 -0.92 0.00 0.00 175.35 175.31 2jsp s PRO 9 N -1.45 3.29 -0.63 -1.68 0.04 -1.26 -0.67 135.00 132.64 2jsp s PRO 9 Ca 0.10 2.17 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2jsp s PRO 9 Cb -0.10 -2.32 0.17 0.00 0.04 0.00 0.00 34.50 32.30 2jsp s PRO 9 CO 0.03 -1.05 0.46 0.00 0.04 0.00 0.00 177.00 176.48 2jsp n ALA 10 N -0.87 3.28 -1.38 8.56 0.00 -1.26 -4.75 120.51 124.10 2jsp n ALA 10 Ca 0.09 -4.17 0.10 0.00 0.00 0.00 0.00 53.44 49.47 2jsp n ALA 10 Cb 0.45 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 2.17 -1.32 -1.69 0.00 0.24 -1.26 -4.72 118.33 111.75 2jsp n VAL 11 Ca 0.23 0.95 -0.32 0.00 -2.04 0.00 0.00 64.34 63.16 2jsp n VAL 11 Cb 0.38 -1.49 0.04 0.00 -1.47 0.00 0.00 33.84 31.31 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 -6.43 5.34 -0.31 -1.34 0.15 -1.26 -4.97 113.70 104.88 2jsp s SER 12 Ca 0.00 1.75 -0.34 0.00 0.70 0.00 0.00 55.95 58.06 2jsp s SER 12 Cb 0.00 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.69 2jsp s SER 12 CO 0.00 -1.47 2.18 0.55 1.20 0.00 0.00 173.24 175.71 2jsp n VAL 13 N -2.78 0.24 0.11 4.45 3.14 -1.26 -4.23 118.33 118.00 2jsp n VAL 13 Ca 0.08 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2jsp n VAL 13 Cb 0.53 -1.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 2jsp n VAL 13 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2jsp n ARG 14 N 8.25 0.00 -3.89 1.45 1.85 -1.26 -5.03 116.66 118.03 2jsp n ARG 14 Ca 0.38 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.94 2jsp n ARG 14 Cb 0.28 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.56 2jsp n ARG 14 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2jsp s LYS 15 N -1.86 2.13 0.23 2.89 1.02 -1.26 -4.84 119.74 118.04 2jsp s LYS 15 Ca 0.00 -2.91 0.03 0.00 0.02 0.00 0.00 55.97 53.12 2jsp s LYS 15 Cb 0.00 -3.24 0.21 0.00 -0.52 0.00 0.00 37.83 34.28 2jsp s LYS 15 CO 0.00 -1.20 1.54 0.66 -0.92 0.00 0.00 175.35 175.42 2jsp h SER 16 N 5.97 0.30 -3.19 2.83 4.64 -1.93 -3.45 113.55 118.72 2jsp h SER 16 Ca 0.04 -0.18 -0.60 0.00 -0.47 0.00 0.00 61.79 60.58 2jsp h SER 16 Cb 0.83 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.74 2jsp h SER 16 CO 0.68 0.85 -0.35 -0.69 -0.87 0.00 0.00 176.83 176.45 2jsp s VAL 17 N -3.73 5.31 0.00 0.95 1.01 -1.26 -2.77 120.40 119.91 2jsp s VAL 17 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2jsp s VAL 17 Cb 0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2jsp s VAL 17 CO 0.80 0.44 0.00 0.00 0.00 0.00 0.00 175.10 176.34 2jsp n GLN 18 N 3.22 2.65 -1.89 2.72 1.13 -0.50 -5.02 117.38 119.69 2jsp n GLN 18 Ca -0.13 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.70 2jsp n GLN 18 Cb 0.52 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.79 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jsp s ASP 19 N 0.27 4.39 -1.43 1.08 1.11 -1.26 -3.71 116.67 117.12 2jsp s ASP 19 Ca 0.00 -1.41 0.00 0.00 0.18 0.00 0.00 52.55 51.32 2jsp s ASP 19 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2jsp s ASP 19 CO 0.00 -3.76 0.00 0.47 1.18 0.00 0.00 175.17 173.06 2jsp n ASP 20 N 16.49 -4.56 -3.73 0.27 8.00 -1.26 -4.96 116.55 126.79 2jsp n ASP 20 Ca 0.43 0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.97 2jsp n ASP 20 Cb 0.47 -3.92 -0.15 0.00 -0.02 0.00 0.00 41.12 37.50 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 -2.67 -0.09 -0.18 1.24 -3.43 -1.24 -4.27 115.29 104.65 2jsp s HIS 21 Ca 0.00 0.38 -0.06 0.00 -0.80 0.00 0.00 55.06 54.58 2jsp s HIS 21 Cb 0.00 -0.20 -0.03 0.00 -1.43 0.00 0.00 32.58 30.92 2jsp s HIS 21 CO 0.00 -0.16 0.02 -1.50 -2.00 0.00 0.00 174.74 171.10 2jsp s ILE 22 N 1.43 4.34 -0.13 -5.38 2.07 0.15 -1.41 121.20 122.27 2jsp s ILE 22 Ca -0.06 -0.19 -0.21 0.00 -1.41 0.00 0.00 60.65 58.78 2jsp s ILE 22 Cb -0.12 -2.94 -0.03 0.00 0.13 0.00 0.00 42.46 39.49 2jsp s ILE 22 CO -0.05 0.46 0.60 0.54 -1.91 0.00 0.00 174.94 174.59 2jsp s VAL 23 N 0.50 5.08 -0.70 4.00 0.11 -1.12 -2.30 120.40 125.98 2jsp s VAL 23 Ca 0.00 1.19 -0.27 0.00 -2.93 0.00 0.00 61.98 59.97 2jsp s VAL 23 Cb -0.13 -3.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.80 2jsp s VAL 23 CO 0.02 0.22 1.41 0.00 -3.33 0.00 0.00 175.10 173.42 2jsp s LEU 25 N 6.47 4.35 -1.33 0.00 2.01 -1.26 -0.60 118.68 128.31 2jsp s LEU 25 Ca 0.43 2.94 0.00 0.00 0.01 0.00 0.00 54.13 57.50 2jsp s LEU 25 Cb -0.09 -3.64 0.00 0.00 0.01 0.00 0.00 46.19 42.46 2jsp s LEU 25 CO 0.17 -0.86 0.00 1.21 1.01 0.00 0.00 176.35 177.88 2jsp n GLU 26 N 1.57 -1.01 0.14 1.70 2.13 -1.11 -4.75 120.64 119.31 2jsp n GLU 26 Ca 0.05 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2jsp n GLU 26 Cb 0.39 -5.00 0.00 0.00 0.27 0.00 0.00 31.44 27.09 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 0.79 3.28 3.63 0.00 0.00 0.23 -3.68 105.19 109.44 2jsp n GLY 28 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 0.01 3.32 -0.02 0.00 -1.26 -4.33 105.19 102.91 2jsp n GLY 29 Ca 0.00 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.64 2.91 0.16 1.61 0.15 -1.26 -1.22 113.70 115.42 2jsp s SER 30 Ca 0.62 -0.64 -0.25 0.00 0.70 0.00 0.00 55.95 56.38 2jsp s SER 30 Cb -0.56 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 63.59 2jsp s SER 30 CO 0.58 0.17 0.95 0.72 1.20 0.00 0.00 173.24 176.86 2jsp s PHE 31 N -0.95 -0.12 -1.39 3.44 -0.12 -0.97 -4.93 117.98 112.93 2jsp s PHE 31 Ca 0.10 -0.20 0.28 0.00 -0.05 0.00 0.00 56.93 57.06 2jsp s PHE 31 Cb -0.10 0.65 1.38 0.00 -0.63 0.00 0.00 43.02 44.32 2jsp s PHE 31 CO 0.04 -0.86 1.95 1.17 -0.05 0.00 0.00 175.22 177.46 2jsp n LYS 32 N -0.48 0.36 -3.39 1.99 0.00 -1.26 0.32 118.16 115.70 2jsp n LYS 32 Ca -0.06 0.02 -0.20 0.00 0.00 0.00 0.00 58.31 58.08 2jsp n LYS 32 Cb 0.61 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 34.04 2jsp n LYS 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2jsp s SER 33 N -2.61 1.70 0.13 3.14 1.04 -1.26 -1.21 113.70 114.64 2jsp s SER 33 Ca 0.25 -1.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.02 2jsp s SER 33 Cb 0.19 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 2jsp s SER 33 CO 0.43 -0.30 1.38 0.25 0.98 0.00 0.00 173.24 175.98 2jsp h LEU 34 N 7.29 0.82 -0.28 2.42 7.12 -0.81 -3.34 115.31 128.53 2jsp h LEU 34 Ca 0.01 -0.51 0.03 0.00 0.13 0.00 0.00 57.88 57.55 2jsp h LEU 34 Cb 1.04 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 40.88 2jsp h LEU 34 CO 0.24 1.29 -0.36 0.50 -0.13 0.00 0.00 178.44 179.98 2jsp h LYS 35 N 0.50 -0.23 0.24 1.25 3.64 -1.66 0.46 116.57 120.76 2jsp h LYS 35 Ca -0.03 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2jsp h LYS 35 Cb 1.30 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2jsp h LYS 35 CO 0.14 -0.16 -0.39 0.00 -2.27 0.00 0.00 179.45 176.78 2jsp h ARG 36 N -0.24 -0.67 -0.56 1.90 3.08 -1.89 -1.18 114.38 114.82 2jsp h ARG 36 Ca 0.05 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.26 2jsp h ARG 36 Cb 0.37 0.15 -0.10 0.00 0.08 0.00 0.00 29.97 30.47 2jsp h ARG 36 CO -0.39 -0.45 -0.12 1.25 -1.07 0.00 0.00 179.97 179.20 2jsp h HIS 37 N -0.70 -0.26 0.08 3.04 2.76 -1.60 0.14 115.15 118.62 2jsp h HIS 37 Ca -0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2jsp h HIS 37 Cb 0.67 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 2jsp h HIS 37 CO -0.28 -0.23 -0.20 1.25 -1.30 0.00 0.00 177.93 177.17 2jsp h LEU 38 N 0.01 -0.60 -1.81 0.26 7.12 0.51 0.21 115.31 121.01 2jsp h LEU 38 Ca 0.27 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.41 2jsp h LEU 38 Cb 0.42 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 2jsp h LEU 38 CO -0.56 -0.22 0.26 0.74 -0.13 0.00 0.00 178.44 178.53 2jsp h THR 39 N -0.31 0.93 0.03 1.05 2.02 -0.71 0.67 112.91 116.59 2jsp h THR 39 Ca -0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2jsp h THR 39 Cb 0.30 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2jsp h THR 39 CO -0.09 0.04 -0.02 0.74 0.37 0.00 0.00 175.52 176.56 2jsp h THR 40 N 0.23 1.32 0.00 3.16 2.02 -0.47 -3.28 112.91 115.88 2jsp h THR 40 Ca 0.17 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2jsp h THR 40 Cb 0.39 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2jsp h THR 40 CO -0.03 0.30 0.00 1.41 0.37 0.00 0.00 175.52 177.56 2jsp n HIS 41 N -4.87 0.00 0.30 3.16 8.25 0.71 -4.51 115.22 118.27 2jsp n HIS 41 Ca -0.09 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.56 2jsp n HIS 41 Cb 0.26 -0.03 1.02 0.00 1.12 0.00 0.00 29.99 32.36 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 -1.05 4.41 -0.00 -1.59 -3.45 115.15 113.46 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 -3.39 -3.16 -0.58 2.45 7.64 0.23 -4.92 113.62 111.88 2jsp n SER 43 Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.93 2jsp n SER 43 Cb 0.17 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.78 -1.34 -2.13 1.43 2.81 -1.26 -3.70 117.12 112.15 2jsp n MET 44 Ca 0.00 1.09 -0.35 0.00 -1.81 0.00 0.00 57.70 56.63 2jsp n MET 44 Cb 0.00 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 30.96 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 -3.45 3.19 0.14 2.03 -4.23 -1.26 -4.08 115.64 107.99 2jsp s THR 45 Ca 0.00 0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 60.94 2jsp s THR 45 Cb 0.00 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 2jsp s THR 45 CO 0.00 -0.21 1.59 1.55 -0.54 0.00 0.00 174.62 177.01 2jsp h PRO 46 N 0.90 -0.37 -0.50 3.99 0.13 -1.93 -1.88 132.00 132.33 2jsp h PRO 46 Ca -0.49 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jsp h PRO 46 Cb 1.26 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 2jsp h PRO 46 CO 0.56 -0.25 0.31 0.93 -0.23 0.00 0.00 178.00 179.33 2jsp h GLU 47 N -0.39 0.67 -0.42 0.86 3.07 -1.94 -2.22 114.58 114.22 2jsp h GLU 47 Ca 0.11 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2jsp h GLU 47 Cb 0.58 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 2jsp h GLU 47 CO -0.44 0.46 0.20 1.49 -1.40 0.00 0.00 179.01 179.33 2jsp h GLU 48 N 0.69 0.61 -0.83 2.33 4.57 -1.67 -2.58 114.58 117.70 2jsp h GLU 48 Ca 0.18 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2jsp h GLU 48 Cb -0.04 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 2jsp h GLU 48 CO -0.04 0.53 0.47 -0.92 -1.18 0.00 0.00 179.01 177.87 2jsp h TYR 49 N 0.54 1.12 -0.61 0.92 5.03 -1.11 -2.33 116.97 120.54 2jsp h TYR 49 Ca 0.15 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.53 2jsp h TYR 49 Cb 0.12 -0.36 -0.04 0.00 1.55 0.00 0.00 36.73 38.00 2jsp h TYR 49 CO -0.01 0.77 0.41 0.07 -1.32 0.00 0.00 178.16 178.08 2jsp h ARG 50 N 1.15 0.44 -0.51 1.82 -0.00 -1.02 -1.18 114.38 115.08 2jsp h ARG 50 Ca 0.29 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.98 60.15 2jsp h ARG 50 Cb 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 29.86 2jsp h ARG 50 CO -0.05 0.29 -0.07 1.49 -0.00 0.00 0.00 179.97 181.63 2jsp h GLU 51 N 0.45 0.92 -0.00 0.08 4.81 -1.19 0.17 114.58 119.82 2jsp h GLU 51 Ca 0.28 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2jsp h GLU 51 Cb 0.49 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2jsp h GLU 51 CO -0.08 0.96 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.73 2jsp h LYS 52 N 0.84 -0.32 -0.15 1.92 1.63 -1.11 -0.89 116.57 118.48 2jsp h LYS 52 Ca 0.14 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2jsp h LYS 52 Cb 0.59 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2jsp h LYS 52 CO 0.04 -0.21 0.00 0.91 -3.45 0.00 0.00 179.45 176.73 2jsp n TRP 53 N -5.34 0.20 -3.79 1.91 7.02 -1.09 -4.93 117.44 111.42 2jsp n TRP 53 Ca -0.05 -0.10 -0.29 0.00 -1.02 0.00 0.00 57.50 56.04 2jsp n TRP 53 Cb 0.25 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 2jsp n TRP 53 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2jsp n ASP 54 N -0.02 -0.73 -4.60 -0.99 5.68 -0.07 -4.87 116.55 110.94 2jsp n ASP 54 Ca 0.10 -0.93 -0.43 0.00 -0.50 0.00 0.00 54.79 53.03 2jsp n ASP 54 Cb 0.19 -1.18 -0.02 0.00 -1.14 0.00 0.00 41.12 38.96 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jsp s LEU 55 N -5.82 3.57 0.63 -2.12 1.98 0.39 -4.96 118.68 112.34 2jsp s LEU 55 Ca 0.43 1.16 -0.18 0.00 -2.89 0.00 0.00 54.13 52.66 2jsp s LEU 55 Cb -0.25 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.03 2jsp s LEU 55 CO 0.76 -1.56 1.00 -0.81 -1.89 0.00 0.00 176.35 173.84 2jsp n PRO 56 N 8.23 0.85 -1.41 0.98 -0.04 -1.26 -2.45 135.00 139.89 2jsp n PRO 56 Ca 0.20 0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2jsp n PRO 56 Cb 0.47 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.66 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 -1.91 -0.03 -4.01 0.52 3.14 -1.26 -3.03 118.33 111.76 2jsp n VAL 57 Ca 0.14 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.21 2jsp n VAL 57 Cb 0.48 -1.18 -0.02 0.00 -1.06 0.00 0.00 33.84 32.06 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 -0.45 -1.44 -2.47 6.55 5.75 -1.03 -4.76 116.55 118.70 2jsp n ASP 58 Ca -0.12 -1.11 -0.30 0.00 -0.01 0.00 0.00 54.79 53.25 2jsp n ASP 58 Cb 0.41 -2.58 -0.03 0.00 -1.03 0.00 0.00 41.12 37.88 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 -4.50 0.09 -1.71 2.11 4.11 -1.17 -4.79 117.16 111.29 2jsp n TYR 59 Ca -0.25 0.57 -0.42 0.00 -0.00 0.00 0.00 57.90 57.80 2jsp n TYR 59 Cb 0.66 -1.13 -0.03 0.00 -0.00 0.00 0.00 39.34 38.84 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 -0.24 4.13 0.05 -3.48 0.04 -1.26 -4.90 135.00 129.35 2jsp s PRO 60 Ca 0.44 2.61 0.21 0.00 0.04 0.00 0.00 61.00 64.30 2jsp s PRO 60 Cb -0.62 -3.51 0.88 0.00 0.04 0.00 0.00 34.50 31.30 2jsp s PRO 60 CO 0.31 -0.83 1.68 -1.33 0.04 0.00 0.00 177.00 176.87 2jsp n MET 61 N 5.39 0.05 -2.47 4.56 2.81 -1.26 -4.89 117.12 121.31 2jsp n MET 61 Ca 0.17 0.19 -0.13 0.00 -1.81 0.00 0.00 57.70 56.12 2jsp n MET 61 Cb 0.38 -1.58 0.02 0.00 -0.71 0.00 0.00 33.22 31.33 2jsp n MET 61 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2jsp n VAL 62 N -1.67 0.00 -1.19 2.03 0.31 -1.26 -0.17 118.33 116.38 2jsp n VAL 62 Ca 0.05 -1.18 -0.40 0.00 -0.01 0.00 0.00 64.34 62.79 2jsp n VAL 62 Cb 0.26 -0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 2jsp n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsp n ALA 63 N -2.49 -2.71 -0.29 3.52 0.00 -0.35 -4.83 120.51 113.37 2jsp n ALA 63 Ca -0.09 0.27 0.27 0.00 0.00 0.00 0.00 53.44 53.88 2jsp n ALA 63 Cb 0.35 -1.36 0.61 0.00 0.00 0.00 0.00 19.45 19.05 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 0.63 0.22 -0.48 0.00 0.13 -1.89 -1.25 132.00 129.34 2jsp h PRO 64 Ca -0.28 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.49 2jsp h PRO 64 Cb 1.27 -0.05 -0.36 0.00 0.13 0.00 0.00 31.00 31.99 2jsp h PRO 64 CO 0.46 0.14 -0.88 0.00 -0.23 0.00 0.00 178.00 177.50 2jsp n ALA 65 N -2.60 3.89 0.43 -0.56 0.00 -1.26 -4.94 120.51 115.48 2jsp n ALA 65 Ca 0.23 -3.30 -0.18 0.00 0.00 0.00 0.00 53.44 50.19 2jsp n ALA 65 Cb 0.97 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 2.03 -1.01 -1.33 0.00 3.20 -1.56 -3.48 116.97 114.81 2jsp h TYR 66 Ca 0.12 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.19 2jsp h TYR 66 Cb 1.42 0.33 -0.22 0.00 1.54 0.00 0.00 36.73 39.80 2jsp h TYR 66 CO 0.68 -0.62 0.83 0.00 -1.64 0.00 0.00 178.16 177.41 2jsp s ALA 67 N -5.76 -2.07 0.00 1.82 0.00 -1.26 -5.07 121.76 109.42 2jsp s ALA 67 Ca -0.18 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2jsp s ALA 67 Cb 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2jsp s ALA 67 CO 0.57 -0.44 0.00 0.39 0.00 0.00 0.00 175.76 176.28 2jsp n GLU 68 N 0.22 0.00 -3.49 0.00 4.71 -1.26 -5.01 120.64 115.81 2jsp n GLU 68 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.97 2jsp n GLU 68 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.02 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jsp n ALA 69 N 2.75 -2.68 -3.00 0.62 0.00 -1.25 -5.02 120.51 111.94 2jsp n ALA 69 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jsp n ALA 69 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.00 1.64 -1.65 0.00 0.63 -1.26 -4.96 116.66 109.06 2jsp n ARG 70 Ca -0.18 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.33 2jsp n ARG 70 Cb 0.62 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.53 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 0.00 1.99 0.00 6.15 2.88 -1.26 -0.81 113.62 122.57 2jsp n SER 71 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2jsp n SER 71 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 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 0.52 0.00 -3.31 -1.46 1.74 -1.26 -4.13 116.66 108.76 2jsp n ARG 72 Ca 0.07 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 2jsp n ARG 72 Cb 0.35 -2.99 0.00 0.00 -1.02 0.00 0.00 32.46 28.81 2jsp n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jsp n LEU 73 N 0.00 -5.04 0.00 0.55 4.77 0.01 -5.06 117.00 112.23 2jsp n LEU 73 Ca 0.00 -0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.47 2jsp n LEU 73 Cb 0.00 -2.68 -0.06 0.00 -2.33 0.00 0.00 43.42 38.35 2jsp n LEU 73 CO 0.00 -0.66 -0.11 0.00 -1.33 0.00 0.00 177.39 175.29 2jsp n ALA 74 N -1.89 0.46 -0.61 -1.18 0.00 -1.26 -4.96 120.51 111.08 2jsp n ALA 74 Ca -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2jsp n ALA 74 Cb 0.57 1.09 0.00 0.00 0.00 0.00 0.00 19.45 21.11 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 -0.63 0.00 -3.24 0.00 5.02 -1.26 -3.75 118.16 114.29 2jsp n LYS 75 Ca -0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 2jsp n LYS 75 Cb 0.46 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.55 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 -0.24 -4.55 -1.60 1.97 2.13 -1.26 -4.92 120.64 112.17 2jsp n GLU 76 Ca 0.00 0.79 -0.29 0.00 0.66 0.00 0.00 57.16 58.32 2jsp n GLU 76 Cb 0.00 -5.58 0.10 0.00 0.27 0.00 0.00 31.44 26.23 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp s MET 77 N -4.88 1.81 -0.33 5.31 0.23 -1.26 -4.97 119.30 115.22 2jsp s MET 77 Ca 0.17 0.46 0.04 0.00 -1.03 0.00 0.00 55.69 55.33 2jsp s MET 77 Cb -0.02 -1.90 0.17 0.00 -1.53 0.00 0.00 34.83 31.54 2jsp s MET 77 CO 0.68 -1.77 0.45 0.20 -2.03 0.00 0.00 175.02 172.55 2jsp s GLY 78 N -4.04 -0.61 0.02 3.16 0.00 -1.26 -5.00 107.32 99.60 2jsp s GLY 78 Ca 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 2jsp s GLY 78 CO 0.53 3.13 -0.02 1.04 0.00 0.00 0.00 173.10 177.78 2jsp n LEU 79 N 4.95 0.47 -2.35 0.66 4.77 -1.26 -4.47 117.00 119.77 2jsp n LEU 79 Ca 0.05 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2jsp n LEU 79 Cb 0.50 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2jsp n LEU 79 CO 0.01 -0.57 -0.04 0.61 -1.33 0.00 0.00 177.39 176.07 2jsp n GLY 80 N 3.18 -1.62 3.12 -0.72 0.00 -1.26 -4.96 105.19 102.93 2jsp n GLY 80 Ca -0.01 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.84 2.58 -0.13 1.61 0.74 -1.26 -4.99 119.66 116.38 2jsp s GLN 81 Ca 0.13 -2.41 -0.27 0.00 0.05 0.00 0.00 55.36 52.86 2jsp s GLN 81 Cb -0.04 -3.78 0.07 0.00 1.10 0.00 0.00 33.01 30.36 2jsp s GLN 81 CO 0.50 -1.17 0.65 0.50 -0.55 0.00 0.00 175.29 175.22 2jsp s ARG 82 N 0.15 0.93 0.04 1.67 6.06 -1.26 -5.19 118.95 121.35 2jsp s ARG 82 Ca 0.16 0.50 -0.26 0.00 -2.50 0.00 0.00 55.73 53.63 2jsp s ARG 82 Cb -0.20 0.44 0.06 0.00 0.06 0.00 0.00 34.95 35.31 2jsp s ARG 82 CO -0.04 -0.23 0.60 -0.98 -2.50 0.00 0.00 175.30 172.15 2jsp s ARG 83 N -0.59 1.11 -0.16 5.12 1.04 -1.26 -5.18 118.95 119.03 2jsp s ARG 83 Ca -0.07 -0.12 -0.28 0.00 -1.04 0.00 0.00 55.73 54.22 2jsp s ARG 83 Cb -0.02 0.51 0.07 0.00 -2.04 0.00 0.00 34.95 33.47 2jsp s ARG 83 CO 0.06 -0.41 0.71 0.21 -0.04 0.00 0.00 175.30 175.84 2jsp s LYS 84 N -2.35 0.93 -0.07 3.89 2.47 -1.26 -5.17 119.74 118.18 2jsp s LYS 84 Ca -0.06 0.62 0.03 0.00 -1.56 0.00 0.00 55.97 54.99 2jsp s LYS 84 Cb -0.01 0.45 0.01 0.00 -1.46 0.00 0.00 37.83 36.82 2jsp s LYS 84 CO -0.01 -0.21 -0.14 0.00 0.16 0.00 0.00 175.35 175.16 2jsp s ALA 85 N -0.41 1.36 -0.14 3.13 0.00 -1.26 -5.13 121.76 119.31 2jsp s ALA 85 Ca -0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 2jsp s ALA 85 Cb -0.02 -0.59 0.13 0.00 0.00 0.00 0.00 23.12 22.64 2jsp s ALA 85 CO 0.05 0.14 1.07 0.54 0.00 0.00 0.00 175.76 177.56 2jsp s ASN 86 N 0.61 -0.26 0.00 0.00 4.22 -1.26 -5.40 114.94 112.84 2jsp s ASN 86 Ca -0.15 0.12 0.00 0.00 -2.14 0.00 0.00 52.86 50.69 2jsp s ASN 86 Cb -0.16 0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.62 2jsp s ASN 86 CO 0.04 -0.36 0.48 -1.14 -2.04 0.00 0.00 177.10 174.08