#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 3.17 -1.41 0.00 -7.23 -1.26 -4.90 120.40 108.77 2jsp s VAL 2 Ca 0.00 0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 2jsp s VAL 2 Cb 0.00 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.77 2jsp s VAL 2 CO 0.00 -0.09 2.22 -0.46 -0.31 0.00 0.00 175.10 176.46 2jsp n ASN 3 N 9.95 3.84 -0.27 4.85 6.94 -1.26 -4.82 115.26 134.50 2jsp n ASN 3 Ca 0.25 -2.82 0.08 0.00 -0.02 0.00 0.00 54.58 52.06 2jsp n ASN 3 Cb 0.44 -1.62 0.22 0.00 -2.36 0.00 0.00 39.78 36.46 2jsp n ASN 3 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2jsp h VAL 4 N 4.02 0.52 -1.72 3.53 -1.51 -1.91 -3.00 116.25 116.18 2jsp h VAL 4 Ca 0.56 -0.11 -0.46 0.00 -1.23 0.00 0.00 66.70 65.46 2jsp h VAL 4 Cb 0.64 0.16 -0.31 0.00 -2.13 0.00 0.00 31.29 29.64 2jsp h VAL 4 CO 1.89 0.06 -0.87 1.21 -1.23 0.00 0.00 177.57 178.63 2jsp n GLU 5 N -5.11 0.47 -3.59 5.19 2.13 -1.26 -4.99 120.64 113.48 2jsp n GLU 5 Ca 0.16 -2.81 -0.21 0.00 0.66 0.00 0.00 57.16 54.97 2jsp n GLU 5 Cb 0.51 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.75 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 2.30 -1.34 0.00 5.31 5.02 -1.13 -4.62 118.16 123.71 2jsp n LYS 6 Ca 0.23 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2jsp n LYS 6 Cb 0.53 -3.59 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 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 -2.83 0.00 -3.77 1.97 1.13 -1.26 -4.59 117.38 108.03 2jsp n GLN 7 Ca -0.18 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.58 2jsp n GLN 7 Cb 0.61 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.83 2jsp n GLN 7 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2jsp s LYS 8 N 0.00 1.40 -0.41 -1.09 2.20 -0.69 -4.56 119.74 116.60 2jsp s LYS 8 Ca 0.00 -2.08 -0.28 0.00 -0.36 0.00 0.00 55.97 53.25 2jsp s LYS 8 Cb 0.00 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2jsp s LYS 8 CO 0.00 -1.14 1.74 -1.25 -0.36 0.00 0.00 175.35 174.35 2jsp s PRO 9 N 0.29 3.21 0.00 4.03 0.04 -1.26 -2.19 135.00 139.11 2jsp s PRO 9 Ca 0.17 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 2jsp s PRO 9 Cb -0.24 -4.21 -0.12 0.00 0.04 0.00 0.00 34.50 29.96 2jsp s PRO 9 CO -0.01 -2.02 2.37 0.00 0.04 0.00 0.00 177.00 177.38 2jsp n ALA 10 N 10.62 4.48 -1.47 8.56 0.00 -1.26 -4.90 120.51 136.54 2jsp n ALA 10 Ca 0.21 -0.81 0.18 0.00 0.00 0.00 0.00 53.44 53.02 2jsp n ALA 10 Cb 0.48 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.03 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 2.16 -0.51 -1.45 0.00 0.31 -1.26 -4.71 118.33 112.87 2jsp n VAL 11 Ca 0.19 0.75 -0.34 0.00 -0.01 0.00 0.00 64.34 64.94 2jsp n VAL 11 Cb 0.58 -1.25 0.09 0.00 -0.91 0.00 0.00 33.84 32.35 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 -7.31 4.34 0.47 4.52 0.15 -1.26 -4.91 113.70 109.70 2jsp s SER 12 Ca 0.00 2.23 0.39 0.00 0.70 0.00 0.00 55.95 59.27 2jsp s SER 12 Cb 0.00 -2.57 1.54 0.00 -1.71 0.00 0.00 66.02 63.28 2jsp s SER 12 CO 0.00 -2.16 1.49 0.55 1.20 0.00 0.00 173.24 174.33 2jsp n VAL 13 N -2.79 -0.13 -0.36 4.45 3.14 -1.26 -1.40 118.33 119.98 2jsp n VAL 13 Ca 0.12 1.59 0.31 0.00 -2.96 0.00 0.00 64.34 63.40 2jsp n VAL 13 Cb 0.51 -2.62 0.57 0.00 -1.06 0.00 0.00 33.84 31.24 2jsp n VAL 13 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2jsp h ARG 14 N 0.00 0.12 0.00 1.45 3.08 -1.98 -1.68 114.38 115.37 2jsp h ARG 14 Ca 0.87 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.89 2jsp h ARG 14 Cb 3.15 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 33.12 2jsp h ARG 14 CO -0.24 0.08 -0.45 1.17 -1.07 0.00 0.00 179.97 179.46 2jsp n LYS 15 N -5.05 1.20 0.07 0.04 4.81 -0.49 -4.71 118.16 114.02 2jsp n LYS 15 Ca 0.36 -2.81 0.00 0.00 -0.87 0.00 0.00 58.31 54.99 2jsp n LYS 15 Cb 1.23 -1.31 0.32 0.00 0.02 0.00 0.00 35.03 35.29 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 0.69 0.34 -3.54 3.14 0.02 -1.40 -3.40 113.55 109.40 2jsp h SER 16 Ca -0.03 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.27 2jsp h SER 16 Cb 1.14 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 2jsp h SER 16 CO 0.01 0.52 0.89 -0.69 -1.14 0.00 0.00 176.83 176.42 2jsp s VAL 17 N -4.69 4.34 0.17 2.27 1.01 -1.26 -2.76 120.40 119.47 2jsp s VAL 17 Ca -0.06 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2jsp s VAL 17 Cb 0.15 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 2jsp s VAL 17 CO 0.75 -0.79 0.02 0.00 0.00 0.00 0.00 175.10 175.09 2jsp n GLN 18 N 7.42 1.26 -1.79 2.72 6.02 -1.07 -5.04 117.38 126.90 2jsp n GLN 18 Ca 0.12 -1.31 -0.23 0.00 -0.01 0.00 0.00 57.00 55.57 2jsp n GLN 18 Cb 0.48 0.49 -0.09 0.00 1.02 0.00 0.00 30.24 32.14 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 -1.41 2.25 -3.84 1.08 9.92 -1.26 -3.53 116.55 119.76 2jsp n ASP 19 Ca -0.05 -2.60 -0.25 0.00 -0.53 0.00 0.00 54.79 51.36 2jsp n ASP 19 Cb 0.23 -1.69 0.01 0.00 -0.64 0.00 0.00 41.12 39.03 2jsp n ASP 19 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jsp n ASP 20 N 16.53 -1.50 -3.36 -2.24 2.03 -1.26 -5.00 116.55 121.75 2jsp n ASP 20 Ca 0.43 -0.88 0.02 0.00 0.52 0.00 0.00 54.79 54.88 2jsp n ASP 20 Cb 0.46 -3.66 -0.03 0.00 -0.72 0.00 0.00 41.12 37.18 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2jsp s HIS 21 N -3.69 -1.21 -0.04 -0.67 -3.43 -1.23 -4.59 115.29 100.43 2jsp s HIS 21 Ca 0.13 1.67 -0.30 0.00 -0.80 0.00 0.00 55.06 55.76 2jsp s HIS 21 Cb -0.07 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 2jsp s HIS 21 CO 0.84 -0.63 1.07 -1.50 -2.00 0.00 0.00 174.74 172.52 2jsp s ILE 22 N 2.81 4.58 -0.10 -5.38 2.07 -1.26 -2.59 121.20 121.33 2jsp s ILE 22 Ca 0.05 1.86 -0.30 0.00 -1.41 0.00 0.00 60.65 60.85 2jsp s ILE 22 Cb -0.12 -4.19 -0.02 0.00 0.13 0.00 0.00 42.46 38.26 2jsp s ILE 22 CO -0.18 0.07 1.08 0.54 -1.91 0.00 0.00 174.94 174.53 2jsp s VAL 23 N 1.60 4.60 -0.54 4.00 0.11 -1.11 -2.38 120.40 126.68 2jsp s VAL 23 Ca 0.53 1.89 -0.28 0.00 -2.93 0.00 0.00 61.98 61.19 2jsp s VAL 23 Cb -0.22 -4.21 0.01 0.00 -1.53 0.00 0.00 36.38 30.42 2jsp s VAL 23 CO 0.24 -0.02 1.48 0.00 -3.33 0.00 0.00 175.10 173.47 2jsp n LEU 25 N 9.83 3.55 0.00 0.00 7.99 -1.26 0.68 117.00 137.79 2jsp n LEU 25 Ca 0.14 1.18 0.00 0.00 -0.01 0.00 0.00 56.01 57.32 2jsp n LEU 25 Cb 0.49 -1.48 0.00 0.00 -0.11 0.00 0.00 43.42 42.32 2jsp n LEU 25 CO 0.71 -0.37 0.00 1.21 -1.51 0.00 0.00 177.39 177.42 2jsp n GLU 26 N 1.29 0.00 0.06 3.23 2.13 -0.93 -4.65 120.64 121.76 2jsp n GLU 26 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2jsp n GLU 26 Cb 0.35 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.43 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 3.26 3.11 3.70 0.00 0.00 0.22 -4.70 105.19 110.77 2jsp n GLY 28 Ca 0.00 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2jsp n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jsp s GLY 29 N -0.26 2.35 -0.04 -0.02 0.00 -1.26 -4.28 107.32 103.81 2jsp s GLY 29 Ca 0.00 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.74 2jsp s GLY 29 CO 0.00 1.38 -0.24 -0.56 0.00 0.00 0.00 173.10 173.69 2jsp s SER 30 N -1.93 2.84 0.00 1.64 0.01 -1.26 -0.52 113.70 114.47 2jsp s SER 30 Ca 0.76 -0.46 0.17 0.00 1.31 0.00 0.00 55.95 57.74 2jsp s SER 30 Cb -0.31 -0.56 0.28 0.00 0.21 0.00 0.00 66.02 65.64 2jsp s SER 30 CO 0.48 0.26 1.10 2.22 0.41 0.00 0.00 173.24 177.70 2jsp n PHE 31 N 2.75 0.00 0.00 2.43 1.16 -1.00 -4.91 117.46 117.89 2jsp n PHE 31 Ca -0.17 -0.39 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 2jsp n PHE 31 Cb 0.52 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 2jsp n PHE 31 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2jsp n LYS 32 N 0.33 0.00 -3.67 3.97 5.02 -1.26 -4.70 118.16 117.85 2jsp n LYS 32 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2jsp n LYS 32 Cb 0.99 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.91 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 0.00 5.48 0.22 4.39 1.04 -1.26 -1.45 113.70 122.11 2jsp s SER 33 Ca 0.00 -2.32 -0.06 0.00 0.48 0.00 0.00 55.95 54.05 2jsp s SER 33 Cb 0.00 -1.91 0.20 0.00 0.10 0.00 0.00 66.02 64.41 2jsp s SER 33 CO 0.00 -0.53 1.73 0.25 0.98 0.00 0.00 173.24 175.67 2jsp h LEU 34 N 7.80 0.96 -0.94 2.42 5.85 -1.39 -3.14 115.31 126.86 2jsp h LEU 34 Ca -0.10 -0.22 0.22 0.00 0.84 0.00 0.00 57.88 58.63 2jsp h LEU 34 Cb 1.02 -0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 2jsp h LEU 34 CO 0.75 0.96 0.49 0.07 -0.34 0.00 0.00 178.44 180.37 2jsp h LYS 35 N 0.94 0.49 0.00 1.25 2.10 -0.65 0.41 116.57 121.11 2jsp h LYS 35 Ca 0.19 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2jsp h LYS 35 Cb 0.42 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jsp h LYS 35 CO 0.01 0.32 0.00 -2.13 -2.00 0.00 0.00 179.45 175.66 2jsp n ARG 36 N -4.96 0.00 -0.27 0.07 0.00 -1.19 -1.44 116.66 108.87 2jsp n ARG 36 Ca 0.24 0.40 0.07 0.00 -0.00 0.00 0.00 57.85 58.56 2jsp n ARG 36 Cb 0.67 -1.36 0.21 0.00 0.00 0.00 0.00 32.46 31.98 2jsp n ARG 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsp h HIS 37 N 0.00 0.55 0.00 -0.14 2.76 -1.43 -0.44 115.15 116.44 2jsp h HIS 37 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2jsp h HIS 37 Cb 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2jsp h HIS 37 CO 0.09 0.05 0.00 -0.11 -1.30 0.00 0.00 177.93 176.65 2jsp n LEU 38 N -5.01 0.00 0.25 0.26 -0.00 0.14 0.30 117.00 112.94 2jsp n LEU 38 Ca 0.16 0.91 0.10 0.00 -0.00 0.00 0.00 56.01 57.18 2jsp n LEU 38 Cb 0.46 -0.41 0.70 0.00 -0.00 0.00 0.00 43.42 44.18 2jsp n LEU 38 CO 0.17 -0.41 1.09 0.74 -0.00 0.00 0.00 177.39 178.98 2jsp h THR 39 N 0.00 0.87 0.58 1.96 2.02 -0.69 0.72 112.91 118.37 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 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 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 -0.81 -3.30 112.91 113.98 2jsp h THR 40 Ca 0.02 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2jsp h THR 40 Cb 0.08 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 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 -5.09 0.00 0.18 3.16 8.25 0.15 -4.39 115.22 117.48 2jsp n HIS 41 Ca -0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.47 2jsp n HIS 41 Cb 0.30 -0.08 0.58 0.00 1.12 0.00 0.00 29.99 31.92 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 -1.66 4.41 -0.00 -1.60 -3.49 115.15 112.81 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 -2.28 -4.97 -1.04 2.45 7.64 0.25 -4.92 113.62 110.73 2jsp n SER 43 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 2jsp n SER 43 Cb 0.12 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.54 -2.33 -2.39 1.43 2.81 -1.26 -3.48 117.12 110.36 2jsp n MET 44 Ca 0.00 1.82 -0.37 0.00 -1.81 0.00 0.00 57.70 57.34 2jsp n MET 44 Cb 0.00 -2.76 -0.03 0.00 -0.71 0.00 0.00 33.22 29.73 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 -3.36 3.38 0.19 2.03 -4.23 -1.26 -3.36 115.64 109.02 2jsp s THR 45 Ca 0.00 1.09 -0.13 0.00 -1.18 0.00 0.00 61.69 61.47 2jsp s THR 45 Cb 0.00 -3.58 0.13 0.00 1.34 0.00 0.00 72.50 70.39 2jsp s THR 45 CO 0.00 0.04 1.69 1.55 -0.54 0.00 0.00 174.62 177.36 2jsp h PRO 46 N 2.46 0.15 -0.64 3.99 0.13 -1.90 -1.25 132.00 134.93 2jsp h PRO 46 Ca -0.49 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2jsp h PRO 46 Cb 1.23 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2jsp h PRO 46 CO 0.62 0.10 0.22 1.49 -0.23 0.00 0.00 178.00 180.20 2jsp h GLU 47 N 0.15 0.95 -0.82 0.86 4.81 -1.92 -2.24 114.58 116.38 2jsp h GLU 47 Ca 0.26 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2jsp h GLU 47 Cb 0.38 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2jsp h GLU 47 CO -0.40 0.80 0.39 1.49 -0.73 0.00 0.00 179.01 180.56 2jsp h GLU 48 N 0.93 1.18 -0.40 1.92 4.22 -1.60 -2.37 114.58 118.47 2jsp h GLU 48 Ca 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.44 2jsp h GLU 48 Cb 0.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2jsp h GLU 48 CO -0.01 0.92 0.11 -0.92 -2.18 0.00 0.00 179.01 176.93 2jsp h TYR 49 N 1.17 0.58 -0.54 0.92 3.20 -0.76 -2.22 116.97 119.32 2jsp h TYR 49 Ca 0.28 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2jsp h TYR 49 Cb 0.13 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2jsp h TYR 49 CO 0.02 0.49 0.36 0.07 -1.64 0.00 0.00 178.16 177.46 2jsp h ARG 50 N 0.57 0.42 -0.60 1.82 -0.00 -0.98 -1.78 114.38 113.84 2jsp h ARG 50 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 2jsp h ARG 50 Cb 0.19 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.97 30.04 2jsp h ARG 50 CO -0.01 0.28 0.38 1.49 -0.00 0.00 0.00 179.97 182.11 2jsp h GLU 51 N 0.43 0.79 -0.10 0.08 4.22 -1.42 0.15 114.58 118.73 2jsp h GLU 51 Ca 0.24 -0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.67 2jsp h GLU 51 Cb 0.39 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 2jsp h GLU 51 CO -0.06 0.54 -0.27 -0.22 -2.18 0.00 0.00 179.01 176.82 2jsp h LYS 52 N 0.81 -0.34 -0.08 1.92 1.63 -1.38 -0.88 116.57 118.25 2jsp h LYS 52 Ca 0.22 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 2jsp h LYS 52 Cb -0.07 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2jsp h LYS 52 CO -0.04 -0.23 0.00 0.91 -3.45 0.00 0.00 179.45 176.64 2jsp n TRP 53 N -5.38 0.10 -2.66 1.91 7.02 -1.14 -4.92 117.44 112.37 2jsp n TRP 53 Ca -0.03 -0.05 -0.15 0.00 -1.02 0.00 0.00 57.50 56.25 2jsp n TRP 53 Cb 0.30 0.00 -0.00 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 -0.26 -4.03 -4.59 -0.99 8.00 -0.00 -4.87 116.55 109.82 2jsp n ASP 54 Ca 0.15 0.05 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 2jsp n ASP 54 Cb 0.19 -3.39 -0.03 0.00 -0.02 0.00 0.00 41.12 37.87 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jsp s LEU 55 N -5.86 3.44 0.64 0.64 2.96 0.32 -4.94 118.68 115.90 2jsp s LEU 55 Ca 0.10 1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 55.11 2jsp s LEU 55 Cb -0.05 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 2jsp s LEU 55 CO 0.12 -2.02 1.11 -0.81 -1.32 0.00 0.00 176.35 173.42 2jsp n PRO 56 N 8.70 0.92 -1.59 0.98 -0.04 -1.26 -2.27 135.00 140.45 2jsp n PRO 56 Ca 0.26 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.95 2jsp n PRO 56 Cb 0.48 -2.33 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 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 -1.94 -0.12 -4.00 0.52 3.14 -1.26 -2.88 118.33 111.79 2jsp n VAL 57 Ca 0.15 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.22 2jsp n VAL 57 Cb 0.48 -1.40 0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 -0.77 -3.08 0.00 6.55 5.75 -0.96 -4.73 116.55 119.31 2jsp n ASP 58 Ca -0.14 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 2jsp n ASP 58 Cb 0.47 -3.37 0.00 0.00 -1.03 0.00 0.00 41.12 37.19 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 0.00 -1.80 2.11 9.36 -1.14 -4.79 117.16 116.40 2jsp n TYR 59 Ca -0.05 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.75 2jsp n TYR 59 Cb 0.56 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 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 0.00 4.16 -0.45 2.98 0.04 -1.26 -4.89 135.00 135.57 2jsp s PRO 60 Ca 0.00 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.54 2jsp s PRO 60 Cb 0.00 -3.22 0.32 0.00 0.04 0.00 0.00 34.50 31.64 2jsp s PRO 60 CO 0.00 -0.72 2.01 -1.33 0.04 0.00 0.00 177.00 177.00 2jsp n MET 61 N 4.37 2.15 -4.26 4.56 2.81 -1.26 -4.86 117.12 120.63 2jsp n MET 61 Ca 0.16 -2.25 -0.16 0.00 -1.81 0.00 0.00 57.70 53.63 2jsp n MET 61 Cb 0.37 -1.88 -0.10 0.00 -0.71 0.00 0.00 33.22 30.89 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 -3.27 1.34 0.07 2.03 1.01 -1.26 0.17 120.40 120.49 2jsp s VAL 62 Ca 0.44 -1.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.22 2jsp s VAL 62 Cb 0.35 -1.76 -0.13 0.00 0.00 0.00 0.00 36.38 34.84 2jsp s VAL 62 CO -0.00 -0.59 0.58 0.00 0.00 0.00 0.00 175.10 175.09 2jsp n ALA 63 N 0.05 -2.58 -0.26 5.51 0.00 -0.53 -4.79 120.51 117.92 2jsp n ALA 63 Ca -0.12 0.38 0.32 0.00 0.00 0.00 0.00 53.44 54.02 2jsp n ALA 63 Cb 0.59 -1.22 0.74 0.00 0.00 0.00 0.00 19.45 19.56 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 1.46 0.00 0.00 0.00 0.13 -1.87 0.77 132.00 132.50 2jsp h PRO 64 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jsp h PRO 64 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2jsp h PRO 64 CO 0.44 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.12 2jsp n ALA 65 N -2.75 2.45 -1.00 -0.56 0.00 -1.26 -4.66 120.51 112.74 2jsp n ALA 65 Ca 0.22 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 51.00 2jsp n ALA 65 Cb 1.12 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2jsp n ALA 65 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jsp n TYR 66 N -1.33 0.00 -1.91 0.00 9.36 0.26 -1.88 117.16 121.66 2jsp n TYR 66 Ca 0.16 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.96 2jsp n TYR 66 Cb 0.65 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 2jsp n TYR 66 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jsp n ALA 67 N -1.91 5.54 -3.53 2.98 0.00 -1.26 -4.50 120.51 117.82 2jsp n ALA 67 Ca 0.00 -4.01 -0.26 0.00 0.00 0.00 0.00 53.44 49.17 2jsp n ALA 67 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 19.45 16.09 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 5.33 -3.56 -3.24 0.00 4.07 -1.09 -0.97 120.64 121.19 2jsp n GLU 68 Ca 0.49 0.47 -0.19 0.00 -0.06 0.00 0.00 57.16 57.87 2jsp n GLU 68 Cb 0.38 -5.20 -0.02 0.00 -0.06 0.00 0.00 31.44 26.54 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 -3.74 -1.04 -3.68 4.31 0.00 -0.79 -4.96 120.51 110.62 2jsp n ALA 69 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 2jsp n ALA 69 Cb 0.53 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 2jsp n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsp n ARG 70 N -3.37 2.43 -4.00 0.00 1.74 -0.14 -4.91 116.66 108.41 2jsp n ARG 70 Ca -0.00 -4.52 -0.30 0.00 -0.77 0.00 0.00 57.85 52.26 2jsp n ARG 70 Cb 0.52 -2.35 -0.05 0.00 -1.02 0.00 0.00 32.46 29.56 2jsp n ARG 70 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jsp n SER 71 N 1.93 -0.56 -3.97 0.55 7.64 -1.26 0.34 113.62 118.30 2jsp n SER 71 Ca 0.22 -1.06 -0.30 0.00 1.01 0.00 0.00 58.87 58.75 2jsp n SER 71 Cb 0.37 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 62.28 2jsp n SER 71 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jsp n ARG 72 N -4.07 -4.47 0.00 1.43 0.63 -1.26 -3.85 116.66 105.07 2jsp n ARG 72 Ca -0.21 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 2jsp n ARG 72 Cb 0.53 -5.18 0.00 0.00 0.45 0.00 0.00 32.46 28.26 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 -4.50 0.00 -3.64 6.15 7.94 0.15 -4.60 117.00 118.50 2jsp n LEU 73 Ca -0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.80 2jsp n LEU 73 Cb 0.57 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 2jsp n LEU 73 CO 0.77 0.00 1.11 0.00 -1.11 0.00 0.00 177.39 178.16 2jsp s ALA 74 N 0.00 -2.17 0.40 1.96 0.00 -1.25 -4.95 121.76 115.76 2jsp s ALA 74 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2jsp s ALA 74 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2jsp s ALA 74 CO 0.00 -0.15 0.00 1.17 0.00 0.00 0.00 175.76 176.78 2jsp n LYS 75 N 1.37 -4.77 -3.64 0.00 4.81 -1.26 -5.10 118.16 109.57 2jsp n LYS 75 Ca -0.08 3.47 -0.05 0.00 -0.87 0.00 0.00 58.31 60.78 2jsp n LYS 75 Cb 0.57 -3.85 -0.06 0.00 0.02 0.00 0.00 35.03 31.71 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 -2.70 0.64 -0.12 1.64 2.12 -1.26 -4.99 118.70 114.03 2jsp s GLU 76 Ca 0.00 1.26 -0.33 0.00 0.36 0.00 0.00 54.97 56.26 2jsp s GLU 76 Cb 0.00 0.37 0.13 0.00 0.26 0.00 0.00 34.13 34.89 2jsp s GLU 76 CO 0.00 -0.16 1.23 1.41 -0.54 0.00 0.00 175.26 177.20 2jsp s MET 77 N 2.02 0.35 0.00 4.30 1.75 -1.26 -5.07 119.30 121.39 2jsp s MET 77 Ca -0.09 -0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.19 2jsp s MET 77 Cb -0.07 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.74 2jsp s MET 77 CO -0.19 -0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.43 2jsp n GLY 78 N -0.24 0.58 1.07 2.11 0.00 -1.26 -5.06 105.19 102.39 2jsp n GLY 78 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.65 -2.71 0.99 4.77 -1.26 -4.86 117.00 114.59 2jsp n LEU 79 Ca 0.00 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2jsp n LEU 79 Cb 0.00 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2jsp n LEU 79 CO 0.00 -0.48 0.17 0.61 -1.33 0.00 0.00 177.39 176.36 2jsp n GLY 80 N 3.23 -0.12 3.55 -0.72 0.00 -1.26 -4.33 105.19 105.54 2jsp n GLY 80 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2jsp n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsp s GLN 81 N -5.87 3.18 -0.84 1.61 -1.52 -1.26 -4.93 119.66 110.03 2jsp s GLN 81 Ca 0.39 -0.11 -0.22 0.00 -1.95 0.00 0.00 55.36 53.47 2jsp s GLN 81 Cb -0.17 -4.18 -0.18 0.00 -0.22 0.00 0.00 33.01 28.26 2jsp s GLN 81 CO 0.52 -2.14 2.22 2.89 -0.25 0.00 0.00 175.29 178.52 2jsp n ARG 82 N 9.25 0.33 -3.23 2.91 1.85 -1.26 -4.82 116.66 121.69 2jsp n ARG 82 Ca 0.05 -0.88 -0.03 0.00 -1.00 0.00 0.00 57.85 56.00 2jsp n ARG 82 Cb 0.49 -3.19 -0.03 0.00 -1.05 0.00 0.00 32.46 28.68 2jsp n ARG 82 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2jsp s ARG 83 N 8.31 0.52 -0.13 2.89 3.52 -1.26 -5.15 118.95 127.64 2jsp s ARG 83 Ca 0.90 0.25 -0.32 0.00 -0.13 0.00 0.00 55.73 56.44 2jsp s ARG 83 Cb -0.21 -0.04 0.13 0.00 -1.56 0.00 0.00 34.95 33.27 2jsp s ARG 83 CO 0.17 -1.06 1.08 0.15 -0.81 0.00 0.00 175.30 174.83 2jsp s LYS 84 N 2.58 0.51 0.58 5.12 -0.14 -1.26 -5.17 119.74 121.95 2jsp s LYS 84 Ca 0.11 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.59 2jsp s LYS 84 Cb -0.11 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 36.28 2jsp s LYS 84 CO -0.26 -0.21 0.00 0.00 -0.76 0.00 0.00 175.35 174.12 2jsp n ALA 85 N 0.03 -3.15 -3.25 5.17 0.00 -1.26 -5.06 120.51 112.99 2jsp n ALA 85 Ca -0.04 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.05 2jsp n ALA 85 Cb 0.59 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 2jsp n ALA 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jsp s ASN 86 N -6.62 -0.35 0.00 0.00 2.47 -1.26 -5.30 114.94 103.88 2jsp s ASN 86 Ca 0.00 0.68 0.00 0.00 0.42 0.00 0.00 52.86 53.96 2jsp s ASN 86 Cb 0.00 0.68 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 2jsp s ASN 86 CO 0.00 -0.12 0.00 0.54 -3.72 0.00 0.00 177.10 173.80