#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 -4.29 0.00 3.14 -1.26 -5.08 118.33 110.84 2jsp n VAL 2 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 2jsp n VAL 2 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 2jsp n VAL 2 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2jsp n ASN 3 N 0.00 -1.83 -3.76 6.55 5.15 -1.26 -4.94 115.26 115.16 2jsp n ASN 3 Ca 0.00 -1.12 -0.28 0.00 -0.60 0.00 0.00 54.58 52.58 2jsp n ASN 3 Cb 0.00 -2.30 -0.11 0.00 -0.53 0.00 0.00 39.78 36.84 2jsp n ASN 3 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2jsp n VAL 4 N -4.33 1.33 -3.39 3.44 0.24 -1.26 -4.93 118.33 109.43 2jsp n VAL 4 Ca -0.03 -4.72 -0.33 0.00 -2.04 0.00 0.00 64.34 57.23 2jsp n VAL 4 Cb 0.54 -2.10 0.03 0.00 -1.47 0.00 0.00 33.84 30.84 2jsp n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jsp n GLU 5 N 1.91 -1.96 0.00 7.34 4.71 -1.26 -4.78 120.64 126.59 2jsp n GLU 5 Ca 0.23 1.53 0.00 0.00 -0.01 0.00 0.00 57.16 58.90 2jsp n GLU 5 Cb 0.38 -2.60 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2jsp n LYS 6 N -0.14 0.00 0.00 3.49 3.00 -1.26 -5.17 118.16 118.08 2jsp n LYS 6 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2jsp n LYS 6 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jsp n GLN 7 N 0.00 0.00 -3.88 1.64 6.02 -1.26 -4.44 117.38 115.45 2jsp n GLN 7 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 2jsp n GLN 7 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 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 0.00 1.49 -0.56 -1.09 -0.14 -0.22 -4.76 119.74 114.47 2jsp s LYS 8 Ca 0.00 -2.05 -0.27 0.00 -1.36 0.00 0.00 55.97 52.30 2jsp s LYS 8 Cb 0.00 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2jsp s LYS 8 CO 0.00 -1.05 1.91 -1.25 -0.76 0.00 0.00 175.35 174.20 2jsp s PRO 9 N 0.47 2.67 -1.30 -1.68 0.04 -1.26 -1.48 135.00 132.46 2jsp s PRO 9 Ca 0.14 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 2jsp s PRO 9 Cb -0.22 -4.38 -0.05 0.00 0.04 0.00 0.00 34.50 29.88 2jsp s PRO 9 CO -0.06 -2.67 2.39 0.00 0.04 0.00 0.00 177.00 176.70 2jsp n ALA 10 N 12.75 5.66 -0.31 8.56 0.00 -1.26 -4.90 120.51 141.01 2jsp n ALA 10 Ca 0.23 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.34 2jsp n ALA 10 Cb 0.52 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 4.61 0.00 -1.64 0.00 0.24 -1.26 -4.78 118.33 115.49 2jsp n VAL 11 Ca 0.59 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.60 2jsp n VAL 11 Cb 0.29 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.77 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 4.10 0.10 -1.34 0.15 -1.26 -5.07 113.70 106.38 2jsp s SER 12 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2jsp s SER 12 Cb 0.00 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2jsp s SER 12 CO 0.00 -2.18 0.00 0.55 1.20 0.00 0.00 173.24 172.81 2jsp n VAL 13 N -3.53 0.00 0.00 4.45 3.14 -1.26 -4.28 118.33 116.84 2jsp n VAL 13 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2jsp n VAL 13 Cb 0.59 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2jsp n VAL 13 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jsp n ARG 14 N -0.19 0.00 -0.70 1.45 0.63 -1.26 -4.12 116.66 112.48 2jsp n ARG 14 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 2jsp n ARG 14 Cb 0.00 0.00 0.35 0.00 0.45 0.00 0.00 32.46 33.26 2jsp n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2jsp n LYS 15 N 0.00 4.07 0.26 -0.14 5.02 -1.26 -4.30 118.16 121.81 2jsp n LYS 15 Ca 0.00 -3.00 0.09 0.00 -2.02 0.00 0.00 58.31 53.38 2jsp n LYS 15 Cb 0.00 -2.05 0.66 0.00 -0.02 0.00 0.00 35.03 33.62 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2jsp h SER 16 N 3.26 0.00 -3.04 4.39 0.02 -1.75 -3.39 113.55 113.04 2jsp h SER 16 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2jsp h SER 16 Cb 1.70 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.20 2jsp h SER 16 CO 0.36 0.05 0.90 -0.69 -1.14 0.00 0.00 176.83 176.30 2jsp s VAL 17 N -4.84 4.34 0.01 2.27 1.01 -1.26 -2.36 120.40 119.56 2jsp s VAL 17 Ca -0.05 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2jsp s VAL 17 Cb 0.16 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2jsp s VAL 17 CO 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.48 2jsp n GLN 18 N 6.76 1.88 -1.87 2.72 6.02 -0.36 -5.04 117.38 127.50 2jsp n GLN 18 Ca 0.14 -0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 2jsp n GLN 18 Cb 0.46 0.02 -0.07 0.00 1.02 0.00 0.00 30.24 31.66 2jsp n GLN 18 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2jsp s ASP 19 N -1.04 4.46 -1.28 1.08 -1.08 -1.26 -3.03 116.67 114.52 2jsp s ASP 19 Ca 0.00 -0.96 0.00 0.00 -0.52 0.00 0.00 52.55 51.07 2jsp s ASP 19 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2jsp s ASP 19 CO 0.00 -3.56 0.00 0.47 0.52 0.00 0.00 175.17 172.60 2jsp n ASP 20 N 16.34 -4.33 -3.77 -0.34 8.00 -1.26 -4.98 116.55 126.21 2jsp n ASP 20 Ca 0.43 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.97 2jsp n ASP 20 Cb 0.46 -3.70 -0.14 0.00 -0.02 0.00 0.00 41.12 37.72 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 -2.65 -0.12 -0.19 1.24 -3.43 -1.17 -4.46 115.29 104.51 2jsp s HIS 21 Ca 0.00 0.38 -0.04 0.00 -0.80 0.00 0.00 55.06 54.60 2jsp s HIS 21 Cb 0.00 -0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.06 2jsp s HIS 21 CO 0.00 -0.13 -0.03 -1.50 -2.00 0.00 0.00 174.74 171.09 2jsp s ILE 22 N 0.85 3.74 0.08 -5.38 2.07 0.88 -1.22 121.20 122.22 2jsp s ILE 22 Ca -0.07 -0.39 -0.30 0.00 -1.41 0.00 0.00 60.65 58.48 2jsp s ILE 22 Cb -0.09 -2.67 -0.05 0.00 0.13 0.00 0.00 42.46 39.78 2jsp s ILE 22 CO -0.04 0.45 0.97 0.54 -1.91 0.00 0.00 174.94 174.95 2jsp s VAL 23 N 0.88 4.60 -0.74 4.00 0.11 -1.00 -2.50 120.40 125.75 2jsp s VAL 23 Ca -0.00 2.07 -0.27 0.00 -2.93 0.00 0.00 61.98 60.85 2jsp s VAL 23 Cb -0.14 -4.32 0.03 0.00 -1.53 0.00 0.00 36.38 30.41 2jsp s VAL 23 CO 0.02 0.28 1.31 0.00 -3.33 0.00 0.00 175.10 173.37 2jsp n LEU 25 N 9.54 4.70 0.00 0.00 7.99 -1.26 0.12 117.00 138.09 2jsp n LEU 25 Ca 0.04 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.19 2jsp n LEU 25 Cb 0.49 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 2jsp n LEU 25 CO 0.71 -0.21 0.00 1.21 -1.51 0.00 0.00 177.39 177.59 2jsp n GLU 26 N 0.06 0.00 0.03 3.23 4.07 -0.55 -4.63 120.64 122.85 2jsp n GLU 26 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2jsp n GLU 26 Cb 0.40 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 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 2.84 3.14 3.44 0.00 0.00 0.12 -4.57 105.19 110.17 2jsp n GLY 28 Ca 0.00 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.79 3.26 -0.02 0.00 -1.26 -4.28 105.19 101.11 2jsp n GLY 29 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.89 2.26 0.17 1.61 0.15 -1.26 -0.44 113.70 114.30 2jsp s SER 30 Ca 0.60 -0.74 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 2jsp s SER 30 Cb -0.25 -0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.01 2jsp s SER 30 CO 0.64 -0.04 0.88 0.72 1.20 0.00 0.00 173.24 176.64 2jsp s PHE 31 N -1.61 -0.18 0.19 3.44 -0.12 -1.04 -4.95 117.98 113.70 2jsp s PHE 31 Ca 0.07 -0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 2jsp s PHE 31 Cb -0.08 0.65 0.10 0.00 -0.63 0.00 0.00 43.02 43.05 2jsp s PHE 31 CO 0.04 -0.91 1.47 1.57 -0.05 0.00 0.00 175.22 177.34 2jsp h LYS 32 N 2.00 0.45 -3.28 1.99 -0.00 -1.86 0.25 116.57 116.12 2jsp h LYS 32 Ca -0.23 -0.33 -0.57 0.00 -0.00 0.00 0.00 60.65 59.53 2jsp h LYS 32 Cb 1.24 0.06 -0.40 0.00 -0.00 0.00 0.00 32.23 33.13 2jsp h LYS 32 CO 0.26 0.95 -0.77 -1.54 -0.00 0.00 0.00 179.45 178.35 2jsp s SER 33 N -6.95 3.84 0.40 7.07 1.04 -1.26 -0.11 113.70 117.73 2jsp s SER 33 Ca -0.06 -1.58 0.12 0.00 0.48 0.00 0.00 55.95 54.91 2jsp s SER 33 Cb 0.11 -0.70 0.85 0.00 0.10 0.00 0.00 66.02 66.38 2jsp s SER 33 CO 0.84 -0.42 1.92 0.25 0.98 0.00 0.00 173.24 176.81 2jsp h LEU 34 N 8.11 0.08 -0.94 2.42 5.85 -0.70 -3.25 115.31 126.89 2jsp h LEU 34 Ca -0.15 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 58.79 2jsp h LEU 34 Cb 1.01 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.84 2jsp h LEU 34 CO 0.46 0.31 -0.05 0.07 -0.34 0.00 0.00 178.44 178.89 2jsp h LYS 35 N 0.08 0.03 0.23 1.25 2.10 -1.85 0.60 116.57 119.01 2jsp h LYS 35 Ca 0.01 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2jsp h LYS 35 Cb 0.43 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2jsp h LYS 35 CO 0.03 0.02 -0.11 -0.09 -2.00 0.00 0.00 179.45 177.30 2jsp h ARG 36 N 0.03 -0.30 -0.86 0.07 2.43 -1.90 -2.84 114.38 111.00 2jsp h ARG 36 Ca 0.53 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.94 2jsp h ARG 36 Cb 0.99 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.46 2jsp h ARG 36 CO -0.89 -0.20 0.08 1.25 -1.51 0.00 0.00 179.97 178.70 2jsp h HIS 37 N -0.86 0.07 0.00 2.20 2.76 -1.44 0.21 115.15 118.10 2jsp h HIS 37 Ca -0.03 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jsp h HIS 37 Cb 0.24 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2jsp h HIS 37 CO 0.02 -0.28 0.00 -0.11 -1.30 0.00 0.00 177.93 176.25 2jsp n LEU 38 N -5.35 0.00 0.12 0.26 -0.00 0.20 -0.40 117.00 111.83 2jsp n LEU 38 Ca 0.19 0.86 0.17 0.00 -0.00 0.00 0.00 56.01 57.22 2jsp n LEU 38 Cb 0.61 -0.36 0.72 0.00 -0.00 0.00 0.00 43.42 44.40 2jsp n LEU 38 CO 0.02 -0.36 1.15 0.74 -0.00 0.00 0.00 177.39 178.94 2jsp h THR 39 N 0.00 0.70 0.50 1.96 2.02 -1.05 0.76 112.91 117.80 2jsp h THR 39 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2jsp h THR 39 Cb 0.00 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2jsp h THR 39 CO 0.00 0.00 -0.24 0.74 0.37 0.00 0.00 175.52 176.39 2jsp h THR 40 N 0.00 0.00 0.00 3.16 2.02 -0.53 -3.31 112.91 114.24 2jsp h THR 40 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2jsp h THR 40 Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 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 -4.33 0.00 0.27 3.16 8.25 0.46 -4.39 115.22 118.64 2jsp n HIS 41 Ca -0.08 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.56 2jsp n HIS 41 Cb 0.26 -0.09 0.90 0.00 1.12 0.00 0.00 29.99 32.18 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 -1.59 -3.49 115.15 113.32 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 -1.13 -0.00 0.00 0.00 177.93 176.80 2jsp n SER 43 N -3.32 -3.48 -0.96 2.45 3.41 0.26 -4.90 113.62 107.07 2jsp n SER 43 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.73 2jsp n SER 43 Cb 0.32 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 2jsp n SER 43 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2jsp n MET 44 N -0.99 -2.03 -2.71 4.33 2.81 -1.26 -3.96 117.12 113.30 2jsp n MET 44 Ca 0.00 1.46 -0.33 0.00 -1.81 0.00 0.00 57.70 57.02 2jsp n MET 44 Cb 0.00 -2.44 -0.06 0.00 -0.71 0.00 0.00 33.22 30.01 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 -2.50 4.40 0.21 2.03 -4.23 -1.26 -3.77 115.64 110.52 2jsp s THR 45 Ca 0.00 1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 61.83 2jsp s THR 45 Cb 0.00 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.36 2jsp s THR 45 CO 0.00 -0.40 1.78 1.55 -0.54 0.00 0.00 174.62 177.01 2jsp h PRO 46 N 1.67 0.54 -0.68 3.99 0.13 -1.91 -0.44 132.00 135.29 2jsp h PRO 46 Ca -0.49 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2jsp h PRO 46 Cb 1.18 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2jsp h PRO 46 CO 0.61 0.35 0.41 0.93 -0.23 0.00 0.00 178.00 180.07 2jsp h GLU 47 N 0.55 0.93 -0.59 0.86 3.07 -1.95 -0.57 114.58 116.88 2jsp h GLU 47 Ca 0.30 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 2jsp h GLU 47 Cb 0.27 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2jsp h GLU 47 CO -0.23 0.67 0.27 1.49 -1.40 0.00 0.00 179.01 179.81 2jsp h GLU 48 N 0.93 0.87 -0.91 2.33 4.57 -1.79 -2.74 114.58 117.84 2jsp h GLU 48 Ca 0.24 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2jsp h GLU 48 Cb -0.02 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 2jsp h GLU 48 CO -0.04 0.72 0.54 -0.92 -1.18 0.00 0.00 179.01 178.12 2jsp h TYR 49 N 0.81 1.21 -0.45 0.92 3.20 -0.76 -2.42 116.97 119.48 2jsp h TYR 49 Ca 0.20 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2jsp h TYR 49 Cb 0.15 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2jsp h TYR 49 CO 0.00 0.81 0.30 0.07 -1.64 0.00 0.00 178.16 177.70 2jsp h ARG 50 N 1.26 0.39 -0.77 1.82 -0.00 -0.80 -1.66 114.38 114.61 2jsp h ARG 50 Ca 0.33 -0.02 0.07 0.00 -0.00 0.00 0.00 59.98 60.35 2jsp h ARG 50 Cb -0.04 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.97 29.78 2jsp h ARG 50 CO -0.06 0.26 0.45 0.93 -0.00 0.00 0.00 179.97 181.54 2jsp h GLU 51 N 0.40 0.77 0.24 0.08 4.39 -1.37 0.15 114.58 119.25 2jsp h GLU 51 Ca 0.19 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2jsp h GLU 51 Cb 0.26 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2jsp h GLU 51 CO -0.05 0.51 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.78 2jsp h LYS 52 N 0.80 -0.59 -0.03 2.33 1.63 -1.35 -1.14 116.57 118.21 2jsp h LYS 52 Ca 0.35 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 2jsp h LYS 52 Cb 0.24 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2jsp h LYS 52 CO -0.20 -0.39 0.00 0.91 -3.45 0.00 0.00 179.45 176.32 2jsp n TRP 53 N -5.42 0.04 -2.60 1.91 7.02 -1.11 -4.89 117.44 112.39 2jsp n TRP 53 Ca -0.08 -0.02 -0.13 0.00 -1.02 0.00 0.00 57.50 56.24 2jsp n TRP 53 Cb 0.33 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.21 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 -0.54 -3.68 -4.58 -0.99 8.00 -0.19 -4.84 116.55 109.73 2jsp n ASP 54 Ca 0.11 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 2jsp n ASP 54 Cb 0.09 -3.12 -0.03 0.00 -0.02 0.00 0.00 41.12 38.04 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 -5.72 3.43 0.67 0.64 2.96 0.36 -4.91 118.68 116.11 2jsp s LEU 55 Ca 0.07 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 2jsp s LEU 55 Cb -0.04 -3.17 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 2jsp s LEU 55 CO 0.08 -2.08 1.11 -0.81 -1.32 0.00 0.00 176.35 173.33 2jsp n PRO 56 N 8.74 0.83 -1.86 0.98 -0.04 -1.26 -2.47 135.00 139.91 2jsp n PRO 56 Ca 0.26 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 2jsp n PRO 56 Cb 0.49 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 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 -2.13 -0.26 -4.04 0.52 3.14 -1.26 -1.89 118.33 112.42 2jsp n VAL 57 Ca 0.15 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.21 2jsp n VAL 57 Cb 0.48 -1.34 -0.00 0.00 -1.06 0.00 0.00 33.84 31.92 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 -1.01 -3.42 0.00 6.55 5.75 -1.03 -4.78 116.55 118.61 2jsp n ASP 58 Ca -0.12 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 2jsp n ASP 58 Cb 0.48 -3.31 0.00 0.00 -1.03 0.00 0.00 41.12 37.26 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 0.00 -1.80 2.11 9.36 -0.79 -4.80 117.16 116.74 2jsp n TYR 59 Ca -0.01 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.80 2jsp n TYR 59 Cb 0.54 0.00 -0.01 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 4.12 0.00 2.98 0.04 -1.26 -4.92 135.00 135.95 2jsp s PRO 60 Ca 0.00 2.57 0.20 0.00 0.04 0.00 0.00 61.00 63.81 2jsp s PRO 60 Cb 0.00 -2.99 0.55 0.00 0.04 0.00 0.00 34.50 32.11 2jsp s PRO 60 CO 0.00 -0.56 1.45 -1.33 0.04 0.00 0.00 177.00 176.60 2jsp n MET 61 N 1.02 2.12 -4.76 4.56 2.81 -1.26 -4.90 117.12 116.71 2jsp n MET 61 Ca 0.03 -1.71 -0.30 0.00 -1.81 0.00 0.00 57.70 53.92 2jsp n MET 61 Cb 0.39 -1.44 -0.14 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.57 2.16 0.00 2.03 1.01 -1.26 0.01 120.40 122.79 2jsp s VAL 62 Ca 0.35 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2jsp s VAL 62 Cb 0.19 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2jsp s VAL 62 CO 0.27 0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.66 2jsp n ALA 63 N 1.54 -0.50 -0.34 5.51 0.00 0.84 -4.74 120.51 122.83 2jsp n ALA 63 Ca -0.17 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.54 2jsp n ALA 63 Cb 0.52 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.54 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 0.00 0.27 0.00 0.00 0.13 -1.90 0.65 132.00 131.15 2jsp h PRO 64 Ca 0.00 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2jsp h PRO 64 Cb 0.00 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 30.99 2jsp h PRO 64 CO 0.00 0.18 -0.59 0.00 -0.23 0.00 0.00 178.00 177.36 2jsp n ALA 65 N -2.53 3.36 -0.14 -0.56 0.00 -1.26 -4.30 120.51 115.08 2jsp n ALA 65 Ca 0.27 -3.08 -0.04 0.00 0.00 0.00 0.00 53.44 50.58 2jsp n ALA 65 Cb 1.02 -0.43 0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 0.96 -0.35 -1.30 0.00 3.20 -1.15 -3.34 116.97 114.99 2jsp h TYR 66 Ca -0.05 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 2jsp h TYR 66 Cb 1.18 0.22 -0.21 0.00 1.54 0.00 0.00 36.73 39.46 2jsp h TYR 66 CO 0.62 -0.24 -0.58 0.00 -1.64 0.00 0.00 178.16 176.32 2jsp s ALA 67 N -6.19 -1.44 -1.34 1.82 0.00 -1.26 -4.94 121.76 108.40 2jsp s ALA 67 Ca -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2jsp s ALA 67 Cb 0.16 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2jsp s ALA 67 CO 0.71 -2.19 0.00 -1.91 0.00 0.00 0.00 175.76 172.37 2jsp n GLU 68 N 3.25 -1.86 -2.35 0.00 4.07 -1.25 -1.77 120.64 120.72 2jsp n GLU 68 Ca 0.18 0.76 -0.00 0.00 -0.06 0.00 0.00 57.16 58.04 2jsp n GLU 68 Cb 0.54 -5.27 -0.00 0.00 -0.06 0.00 0.00 31.44 26.64 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 -1.35 -0.90 -2.70 4.31 0.00 -1.26 -4.83 120.51 113.78 2jsp n ALA 69 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2jsp n ALA 69 Cb 0.59 -0.48 0.08 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.36 1.25 -4.40 0.00 0.63 -0.73 -4.76 116.66 106.29 2jsp n ARG 70 Ca -0.00 -2.38 -0.40 0.00 -0.92 0.00 0.00 57.85 54.16 2jsp n ARG 70 Cb 0.45 -0.52 -0.06 0.00 0.45 0.00 0.00 32.46 32.78 2jsp n ARG 70 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2jsp n SER 71 N -0.53 -2.39 -1.73 6.15 3.41 -1.23 -0.07 113.62 117.21 2jsp n SER 71 Ca 0.00 -1.15 -0.16 0.00 -0.26 0.00 0.00 58.87 57.30 2jsp n SER 71 Cb 0.84 -2.11 -0.05 0.00 -0.26 0.00 0.00 64.21 62.63 2jsp n SER 71 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jsp n ARG 72 N -4.21 -1.53 -1.40 4.33 0.63 -0.86 -4.40 116.66 109.21 2jsp n ARG 72 Ca 0.09 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 2jsp n ARG 72 Cb 0.48 -5.29 0.00 0.00 0.45 0.00 0.00 32.46 28.10 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 -2.29 -4.85 0.00 6.15 0.00 0.89 -4.99 117.00 111.92 2jsp n LEU 73 Ca -0.17 2.48 0.00 0.00 0.00 0.00 0.00 56.01 58.32 2jsp n LEU 73 Cb 0.56 -2.17 0.00 0.00 0.00 0.00 0.00 43.42 41.81 2jsp n LEU 73 CO 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 177.39 177.28 2jsp n ALA 74 N 0.08 0.00 -3.38 1.96 0.00 -1.26 -5.02 120.51 112.89 2jsp n ALA 74 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 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 1.17 0.00 0.00 0.00 177.50 178.67 2jsp n LYS 75 N 0.00 -2.00 -0.66 0.00 4.81 -1.26 -4.78 118.16 114.27 2jsp n LYS 75 Ca 0.00 1.54 -0.31 0.00 -0.87 0.00 0.00 58.31 58.68 2jsp n LYS 75 Cb 0.00 -2.87 0.18 0.00 0.02 0.00 0.00 35.03 32.36 2jsp n LYS 75 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2jsp n GLU 76 N -0.35 -0.77 -1.59 1.64 0.28 -1.26 -4.91 120.64 113.68 2jsp n GLU 76 Ca -0.05 -0.17 -0.48 0.00 -0.16 0.00 0.00 57.16 56.30 2jsp n GLU 76 Cb 0.64 -2.27 -0.04 0.00 1.43 0.00 0.00 31.44 31.20 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jsp n MET 77 N -4.02 1.24 0.00 3.44 0.00 -1.26 -4.59 117.12 111.93 2jsp n MET 77 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 57.70 58.24 2jsp n MET 77 Cb 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 1.98 0.26 2.85 3.17 0.00 -1.26 -5.06 105.19 107.12 2jsp n GLY 78 Ca 0.14 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 2jsp n GLY 78 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jsp s LEU 79 N 0.00 1.22 0.00 0.99 0.05 -1.26 -5.09 118.68 114.59 2jsp s LEU 79 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.11 2jsp s LEU 79 Cb 0.00 -0.33 0.00 0.00 -2.05 0.00 0.00 46.19 43.81 2jsp s LEU 79 CO 0.00 -0.08 0.61 0.61 -0.55 0.00 0.00 176.35 176.94 2jsp n GLY 80 N 4.12 -2.93 3.23 -3.48 0.00 -1.26 -4.80 105.19 100.08 2jsp n GLY 80 Ca -0.25 0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.44 2.98 0.00 1.61 1.11 -1.26 -5.04 119.66 117.62 2jsp s GLN 81 Ca 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 55.36 54.45 2jsp s GLN 81 Cb 0.00 -2.29 -0.18 0.00 -1.01 0.00 0.00 33.01 29.53 2jsp s GLN 81 CO 0.00 0.22 2.66 2.89 0.01 0.00 0.00 175.29 181.06 2jsp n ARG 82 N 3.42 1.38 -3.63 2.91 1.85 -1.26 -4.75 116.66 116.57 2jsp n ARG 82 Ca -0.19 -0.68 -0.12 0.00 -1.00 0.00 0.00 57.85 55.86 2jsp n ARG 82 Cb 0.53 -1.83 -0.07 0.00 -1.05 0.00 0.00 32.46 30.03 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 1.58 0.80 -1.20 2.89 3.00 -1.26 -5.08 118.95 119.69 2jsp s ARG 83 Ca 0.46 1.05 -0.10 0.00 -1.00 0.00 0.00 55.73 56.13 2jsp s ARG 83 Cb 0.22 0.34 0.21 0.00 0.00 0.00 0.00 34.95 35.72 2jsp s ARG 83 CO 0.00 -0.11 1.51 1.17 0.00 0.00 0.00 175.30 177.87 2jsp n LYS 84 N 3.07 3.61 -2.56 5.12 0.00 -1.26 -4.98 118.16 121.15 2jsp n LYS 84 Ca -0.15 -3.96 -0.42 0.00 0.00 0.00 0.00 58.31 53.78 2jsp n LYS 84 Cb 0.56 -2.86 -0.03 0.00 0.00 0.00 0.00 35.03 32.70 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jsp s ALA 85 N 0.17 3.29 0.39 3.14 0.00 -1.26 -4.85 121.76 122.64 2jsp s ALA 85 Ca 0.38 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2jsp s ALA 85 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2jsp s ALA 85 CO 0.00 -0.36 0.00 -1.71 0.00 0.00 0.00 175.76 173.69 2jsp n ASN 86 N 4.00 -5.36 -0.18 0.00 2.85 -1.26 -5.23 115.26 110.08 2jsp n ASN 86 Ca 0.08 1.13 0.02 0.00 -0.11 0.00 0.00 54.58 55.70 2jsp n ASN 86 Cb 0.49 -3.03 0.02 0.00 1.24 0.00 0.00 39.78 38.49 2jsp n ASN 86 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01