#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 1.50 -0.51 0.00 -7.23 -1.26 -4.89 120.40 108.01 2jsp s VAL 2 Ca 0.00 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.31 2jsp s VAL 2 Cb 0.00 -1.45 0.03 0.00 0.56 0.00 0.00 36.38 35.52 2jsp s VAL 2 CO 0.00 0.40 0.64 -3.20 -0.31 0.00 0.00 175.10 172.62 2jsp n ASN 3 N 4.78 -6.73 -3.27 4.85 5.15 -1.26 -4.99 115.26 113.79 2jsp n ASN 3 Ca -0.16 0.07 -0.25 0.00 -0.60 0.00 0.00 54.58 53.64 2jsp n ASN 3 Cb 0.49 -3.63 -0.07 0.00 -0.53 0.00 0.00 39.78 36.04 2jsp n ASN 3 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 2jsp n VAL 4 N -0.64 0.53 -3.32 3.44 3.14 -1.26 -4.97 118.33 115.25 2jsp n VAL 4 Ca -0.01 -4.51 -0.15 0.00 -2.96 0.00 0.00 64.34 56.70 2jsp n VAL 4 Cb 0.57 -1.96 0.01 0.00 -1.06 0.00 0.00 33.84 31.40 2jsp n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2jsp n GLU 5 N 1.14 -1.69 0.00 1.45 1.02 -1.26 -4.82 120.64 116.48 2jsp n GLU 5 Ca 0.25 1.38 0.00 0.00 -0.02 0.00 0.00 57.16 58.76 2jsp n GLU 5 Cb 0.49 -4.08 0.00 0.00 -0.02 0.00 0.00 31.44 27.83 2jsp n GLU 5 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsp n LYS 6 N -1.50 0.00 -1.53 3.49 5.02 -1.26 -5.11 118.16 117.26 2jsp n LYS 6 Ca -0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 2jsp n LYS 6 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.50 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 0.00 0.57 -4.25 1.97 1.13 -1.26 -4.57 117.38 110.97 2jsp n GLN 7 Ca 0.00 -0.16 -0.20 0.00 -1.94 0.00 0.00 57.00 54.70 2jsp n GLN 7 Cb 0.00 -2.73 -0.12 0.00 0.11 0.00 0.00 30.24 27.49 2jsp n GLN 7 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2jsp s LYS 8 N 8.46 0.93 -0.14 -1.09 -2.85 -1.21 -4.77 119.74 119.08 2jsp s LYS 8 Ca 1.11 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 54.82 2jsp s LYS 8 Cb -0.52 -1.00 -0.04 0.00 -2.06 0.00 0.00 37.83 34.20 2jsp s LYS 8 CO 0.32 0.23 1.70 -1.25 0.10 0.00 0.00 175.35 176.46 2jsp s PRO 9 N -1.63 3.90 -0.88 1.78 0.04 -1.26 -1.56 135.00 135.40 2jsp s PRO 9 Ca 0.01 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2jsp s PRO 9 Cb -0.10 -4.05 0.20 0.00 0.04 0.00 0.00 34.50 30.59 2jsp s PRO 9 CO 0.02 -1.18 2.31 0.00 0.04 0.00 0.00 177.00 178.20 2jsp n ALA 10 N 8.18 6.49 -1.43 8.56 0.00 -1.26 -4.93 120.51 136.12 2jsp n ALA 10 Ca 0.19 -3.88 0.19 0.00 0.00 0.00 0.00 53.44 49.94 2jsp n ALA 10 Cb 0.44 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 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 0.56 0.00 -2.27 0.00 0.31 -1.26 -4.83 118.33 110.83 2jsp n VAL 11 Ca 0.53 0.28 -0.34 0.00 -0.01 0.00 0.00 64.34 64.80 2jsp n VAL 11 Cb 0.34 -0.76 -0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -7.07 5.83 0.27 4.52 0.15 -1.26 -4.97 113.70 111.18 2jsp s SER 12 Ca 0.00 2.07 0.18 0.00 0.70 0.00 0.00 55.95 58.90 2jsp s SER 12 Cb 0.00 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.67 2jsp s SER 12 CO 0.00 -1.14 1.02 0.55 1.20 0.00 0.00 173.24 174.87 2jsp n VAL 13 N -1.36 -0.21 -0.31 4.45 3.14 -1.26 -1.23 118.33 121.55 2jsp n VAL 13 Ca 0.11 1.24 0.26 0.00 -2.96 0.00 0.00 64.34 62.99 2jsp n VAL 13 Cb 0.52 -2.02 0.49 0.00 -1.06 0.00 0.00 33.84 31.76 2jsp n VAL 13 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2jsp n ARG 14 N -4.20 -0.06 -2.93 1.45 5.12 -1.26 -1.06 116.66 113.72 2jsp n ARG 14 Ca 0.26 1.35 -0.22 0.00 -1.93 0.00 0.00 57.85 57.31 2jsp n ARG 14 Cb 0.94 -2.35 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 2jsp n ARG 14 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2jsp n LYS 15 N -5.23 2.27 0.05 5.56 5.02 -0.36 -4.82 118.16 120.64 2jsp n LYS 15 Ca 0.33 -4.14 -0.08 0.00 -2.02 0.00 0.00 58.31 52.40 2jsp n LYS 15 Cb 1.10 -1.95 -0.12 0.00 -0.02 0.00 0.00 35.03 34.04 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 2.93 0.04 -3.13 4.39 0.02 -1.17 -3.46 113.55 113.17 2jsp h SER 16 Ca 0.12 -0.05 -0.54 0.00 -0.84 0.00 0.00 61.79 60.48 2jsp h SER 16 Cb 0.79 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2jsp h SER 16 CO 0.68 1.04 0.63 -0.69 -1.14 0.00 0.00 176.83 177.35 2jsp s VAL 17 N -2.69 4.06 0.00 2.27 1.01 -1.26 -2.11 120.40 121.68 2jsp s VAL 17 Ca -0.00 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2jsp s VAL 17 Cb 0.09 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2jsp s VAL 17 CO 0.83 0.07 0.00 0.00 0.00 0.00 0.00 175.10 176.00 2jsp n GLN 18 N 4.42 1.39 -1.74 2.72 1.13 -0.39 -5.00 117.38 119.91 2jsp n GLN 18 Ca 0.10 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.97 2jsp n GLN 18 Cb 0.46 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.72 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 -0.74 4.05 -1.46 1.08 1.11 -1.26 -3.58 116.67 115.86 2jsp s ASP 19 Ca 0.00 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 51.92 2jsp s ASP 19 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2jsp s ASP 19 CO 0.00 -3.99 0.00 0.47 1.18 0.00 0.00 175.17 172.83 2jsp n ASP 20 N 17.76 -4.49 -3.78 0.27 9.92 -1.26 -4.96 116.55 130.00 2jsp n ASP 20 Ca 0.43 0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 54.77 2jsp n ASP 20 Cb 0.46 -3.88 -0.15 0.00 -0.64 0.00 0.00 41.12 36.90 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2jsp s HIS 21 N -2.62 -0.03 -0.21 1.24 -3.43 -1.24 -4.33 115.29 104.69 2jsp s HIS 21 Ca 0.00 0.20 -0.07 0.00 -0.80 0.00 0.00 55.06 54.39 2jsp s HIS 21 Cb 0.00 -0.15 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2jsp s HIS 21 CO 0.00 -0.09 0.06 -1.50 -2.00 0.00 0.00 174.74 171.21 2jsp s ILE 22 N 0.86 4.58 0.09 -5.38 2.07 0.14 -1.26 121.20 122.29 2jsp s ILE 22 Ca -0.07 -0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 58.77 2jsp s ILE 22 Cb -0.10 -3.09 -0.05 0.00 0.13 0.00 0.00 42.46 39.35 2jsp s ILE 22 CO -0.03 0.41 1.06 0.54 -1.91 0.00 0.00 174.94 175.01 2jsp s VAL 23 N 0.83 4.33 -0.60 4.00 0.11 -0.90 -2.14 120.40 126.03 2jsp s VAL 23 Ca 0.03 1.81 -0.28 0.00 -2.93 0.00 0.00 61.98 60.62 2jsp s VAL 23 Cb -0.14 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.58 2jsp s VAL 23 CO 0.02 0.22 1.34 0.00 -3.33 0.00 0.00 175.10 173.36 2jsp s LEU 25 N 5.78 4.34 -1.72 0.00 2.01 -1.26 -0.77 118.68 127.07 2jsp s LEU 25 Ca 0.47 2.96 0.00 0.00 0.01 0.00 0.00 54.13 57.57 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 0.23 -0.89 0.00 1.21 1.01 0.00 0.00 176.35 177.91 2jsp n GLU 26 N 1.71 -1.39 0.11 1.70 4.07 -0.92 -4.67 120.64 121.25 2jsp n GLU 26 Ca 0.06 0.99 0.00 0.00 -0.06 0.00 0.00 57.16 58.15 2jsp n GLU 26 Cb 0.38 -5.42 0.00 0.00 -0.06 0.00 0.00 31.44 26.35 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 0.82 3.18 3.56 0.00 0.00 0.05 -3.48 105.19 109.34 2jsp n GLY 28 Ca 0.00 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.76 3.38 -0.02 0.00 -1.26 -4.25 105.19 102.27 2jsp n GLY 29 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2jsp n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jsp s SER 30 N -1.41 3.27 0.23 1.61 0.01 -1.26 -0.60 113.70 115.54 2jsp s SER 30 Ca 0.72 -0.71 -0.22 0.00 1.31 0.00 0.00 55.95 57.06 2jsp s SER 30 Cb -0.38 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.65 2jsp s SER 30 CO 0.51 0.20 0.71 0.72 0.41 0.00 0.00 173.24 175.78 2jsp s PHE 31 N -0.99 -0.30 -0.54 2.43 -0.12 -0.91 -4.92 117.98 112.63 2jsp s PHE 31 Ca 0.13 -0.06 0.23 0.00 -0.05 0.00 0.00 56.93 57.18 2jsp s PHE 31 Cb -0.10 0.65 0.94 0.00 -0.63 0.00 0.00 43.02 43.89 2jsp s PHE 31 CO 0.05 -1.07 1.70 0.36 -0.05 0.00 0.00 175.22 176.21 2jsp n LYS 32 N -0.43 0.18 -3.35 1.99 2.85 -1.26 0.24 118.16 118.39 2jsp n LYS 32 Ca -0.08 0.39 -0.15 0.00 -1.05 0.00 0.00 58.31 57.42 2jsp n LYS 32 Cb 0.61 -1.84 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 2jsp n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2jsp s SER 33 N -4.15 0.97 0.15 -5.58 1.04 -1.26 -0.43 113.70 104.43 2jsp s SER 33 Ca 0.05 -1.41 -0.12 0.00 0.48 0.00 0.00 55.95 54.95 2jsp s SER 33 Cb 0.10 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.93 2jsp s SER 33 CO 0.40 -0.27 1.62 0.25 0.98 0.00 0.00 173.24 176.22 2jsp h LEU 34 N 7.19 0.85 -1.29 2.42 6.46 -1.38 -3.11 115.31 126.45 2jsp h LEU 34 Ca 0.03 -0.28 0.27 0.00 -0.12 0.00 0.00 57.88 57.78 2jsp h LEU 34 Cb 1.07 -0.23 -0.10 0.00 -0.73 0.00 0.00 40.66 40.67 2jsp h LEU 34 CO 0.21 0.92 0.66 0.07 -0.62 0.00 0.00 178.44 179.68 2jsp h LYS 35 N 0.75 0.41 0.03 1.25 5.09 -1.00 0.52 116.57 123.62 2jsp h LYS 35 Ca 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.86 2jsp h LYS 35 Cb 0.46 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.70 2jsp h LYS 35 CO 0.02 0.27 -0.01 -0.09 -2.09 0.00 0.00 179.45 177.54 2jsp h ARG 36 N 0.42 -0.04 -0.86 0.07 2.43 -1.83 -3.19 114.38 111.38 2jsp h ARG 36 Ca 0.62 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 60.01 2jsp h ARG 36 Cb 1.50 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.91 2jsp h ARG 36 CO -0.34 -0.03 0.08 1.25 -1.51 0.00 0.00 179.97 179.43 2jsp h HIS 37 N -0.10 0.07 0.00 2.20 2.76 -1.38 0.14 115.15 118.85 2jsp h HIS 37 Ca -0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2jsp h HIS 37 Cb 0.03 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2jsp h HIS 37 CO 0.06 -0.29 0.00 -0.11 -1.30 0.00 0.00 177.93 176.30 2jsp n LEU 38 N -5.35 0.00 -0.12 0.26 -0.00 0.18 -0.41 117.00 111.56 2jsp n LEU 38 Ca 0.19 0.90 0.20 0.00 -0.00 0.00 0.00 56.01 57.29 2jsp n LEU 38 Cb 0.62 -0.40 0.60 0.00 -0.00 0.00 0.00 43.42 44.25 2jsp n LEU 38 CO 0.02 -0.40 1.21 0.74 -0.00 0.00 0.00 177.39 178.96 2jsp h THR 39 N 0.00 0.72 0.07 1.96 2.02 -1.27 0.58 112.91 116.99 2jsp h THR 39 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2jsp h THR 39 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2jsp h THR 39 CO 0.00 0.04 -0.03 0.74 0.37 0.00 0.00 175.52 176.63 2jsp h THR 40 N 0.21 1.12 0.00 3.16 2.02 -0.52 -3.24 112.91 115.66 2jsp h THR 40 Ca 0.35 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2jsp h THR 40 Cb 1.08 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2jsp h THR 40 CO -0.07 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.40 2jsp n HIS 41 N -4.99 0.00 0.28 3.16 8.25 0.45 -4.58 115.22 117.79 2jsp n HIS 41 Ca -0.08 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.55 2jsp n HIS 41 Cb 0.18 0.00 0.95 0.00 1.12 0.00 0.00 29.99 32.24 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 -1.92 4.41 -0.00 -1.43 -3.49 115.15 112.71 2jsp h HIS 42 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 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 -0.06 0.43 -0.00 0.00 0.00 177.93 178.30 2jsp n SER 43 N -2.76 -5.65 -0.65 2.45 7.64 0.19 -4.88 113.62 109.96 2jsp n SER 43 Ca -0.02 0.18 0.03 0.00 1.01 0.00 0.00 58.87 60.06 2jsp n SER 43 Cb 0.11 -0.50 -0.01 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.05 -1.65 -2.16 1.43 2.81 -1.26 -3.64 117.12 110.60 2jsp n MET 44 Ca 0.00 1.30 -0.37 0.00 -1.81 0.00 0.00 57.70 56.83 2jsp n MET 44 Cb 0.08 -1.70 0.01 0.00 -0.71 0.00 0.00 33.22 30.89 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 -4.24 2.90 0.20 2.03 -4.23 -1.26 -3.93 115.64 107.11 2jsp s THR 45 Ca 0.00 0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 2jsp s THR 45 Cb 0.00 -3.30 0.13 0.00 1.34 0.00 0.00 72.50 70.67 2jsp s THR 45 CO 0.00 -0.05 1.72 1.55 -0.54 0.00 0.00 174.62 177.30 2jsp h PRO 46 N 1.62 0.27 -0.88 3.99 0.13 -1.93 -0.75 132.00 134.46 2jsp h PRO 46 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2jsp h PRO 46 Cb 1.27 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2jsp h PRO 46 CO 0.58 0.18 0.46 0.93 -0.23 0.00 0.00 178.00 179.92 2jsp h GLU 47 N 0.27 1.24 -0.49 0.86 5.08 -1.93 -1.17 114.58 118.44 2jsp h GLU 47 Ca 0.28 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jsp h GLU 47 Cb 0.38 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jsp h GLU 47 CO -0.35 0.92 0.29 1.49 -1.00 0.00 0.00 179.01 180.36 2jsp h GLU 48 N 1.23 0.66 -0.83 2.33 4.57 -1.69 -2.77 114.58 118.09 2jsp h GLU 48 Ca 0.31 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2jsp h GLU 48 Cb 0.06 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 2jsp h GLU 48 CO -0.05 0.49 0.51 -0.92 -1.18 0.00 0.00 179.01 177.87 2jsp h TYR 49 N 0.65 1.07 -0.71 0.92 3.20 -0.75 -2.18 116.97 119.17 2jsp h TYR 49 Ca 0.17 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.12 2jsp h TYR 49 Cb -0.00 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 2jsp h TYR 49 CO -0.03 0.70 0.47 0.07 -1.64 0.00 0.00 178.16 177.73 2jsp h ARG 50 N 1.13 0.69 -0.81 1.82 -0.00 -0.93 -2.05 114.38 114.24 2jsp h ARG 50 Ca 0.30 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.98 60.20 2jsp h ARG 50 Cb -0.07 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.97 29.70 2jsp h ARG 50 CO -0.06 0.46 0.35 1.49 -0.00 0.00 0.00 179.97 182.20 2jsp h GLU 51 N 0.71 1.19 -0.19 0.08 4.81 -1.36 0.19 114.58 120.01 2jsp h GLU 51 Ca 0.31 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2jsp h GLU 51 Cb 0.30 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 2jsp h GLU 51 CO -0.10 0.94 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.70 2jsp h LYS 52 N 1.16 -0.21 -0.20 1.92 1.63 -1.34 -1.07 116.57 118.46 2jsp h LYS 52 Ca 0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2jsp h LYS 52 Cb 0.18 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2jsp h LYS 52 CO -0.03 -0.14 0.00 0.91 -3.45 0.00 0.00 179.45 176.74 2jsp n TRP 53 N -5.34 0.26 -2.61 1.91 7.02 -1.09 -4.92 117.44 112.66 2jsp n TRP 53 Ca -0.02 -0.13 -0.14 0.00 -1.02 0.00 0.00 57.50 56.19 2jsp n TRP 53 Cb 0.26 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.24 -3.99 -4.59 -0.99 8.00 -0.15 -4.86 116.55 110.20 2jsp n ASP 54 Ca 0.14 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 2jsp n ASP 54 Cb 0.28 -3.37 -0.03 0.00 -0.02 0.00 0.00 41.12 37.98 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 -5.80 3.45 0.53 0.64 2.96 0.50 -4.92 118.68 116.05 2jsp s LEU 55 Ca 0.07 1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 55.32 2jsp s LEU 55 Cb -0.04 -3.40 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 2jsp s LEU 55 CO 0.09 -1.95 1.16 -0.81 -1.32 0.00 0.00 176.35 173.52 2jsp n PRO 56 N 8.67 1.38 -2.27 0.98 -0.04 -1.26 -2.38 135.00 140.08 2jsp n PRO 56 Ca 0.27 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 64.13 2jsp n PRO 56 Cb 0.47 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 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 -1.12 -0.43 -3.60 0.52 3.14 -1.26 -1.97 118.33 113.60 2jsp n VAL 57 Ca 0.11 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.23 2jsp n VAL 57 Cb 0.44 -1.47 -0.01 0.00 -1.06 0.00 0.00 33.84 31.74 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 -1.53 -3.38 0.00 6.55 5.75 -1.00 -4.74 116.55 118.19 2jsp n ASP 58 Ca -0.13 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 2jsp n ASP 58 Cb 0.56 -2.81 0.00 0.00 -1.03 0.00 0.00 41.12 37.84 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 -3.98 0.00 -1.84 2.11 9.36 -0.83 -4.82 117.16 117.15 2jsp n TYR 59 Ca 0.02 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.83 2jsp n TYR 59 Cb 0.52 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.23 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 4.14 -0.42 2.98 0.04 -1.26 -4.95 135.00 135.53 2jsp s PRO 60 Ca 0.00 2.53 0.04 0.00 0.04 0.00 0.00 61.00 63.61 2jsp s PRO 60 Cb 0.00 -2.98 0.46 0.00 0.04 0.00 0.00 34.50 32.01 2jsp s PRO 60 CO 0.00 -0.49 1.48 0.00 0.04 0.00 0.00 177.00 178.03 2jsp n MET 61 N 0.54 3.30 -4.17 4.56 0.00 -1.26 -4.96 117.12 115.13 2jsp n MET 61 Ca 0.01 -3.87 -0.12 0.00 0.00 0.00 0.00 57.70 53.72 2jsp n MET 61 Cb 0.39 -2.28 -0.10 0.00 0.00 0.00 0.00 33.22 31.23 2jsp n MET 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2jsp s VAL 62 N -4.67 0.78 0.04 3.17 1.01 -1.26 -0.23 120.40 119.23 2jsp s VAL 62 Ca 0.56 -1.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 2jsp s VAL 62 Cb 0.44 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2jsp s VAL 62 CO 0.02 -0.74 0.21 0.00 0.00 0.00 0.00 175.10 174.59 2jsp n ALA 63 N 0.23 -1.49 -0.28 5.51 0.00 0.42 -4.80 120.51 120.10 2jsp n ALA 63 Ca -0.14 0.14 0.24 0.00 0.00 0.00 0.00 53.44 53.69 2jsp n ALA 63 Cb 0.59 -0.48 0.57 0.00 0.00 0.00 0.00 19.45 20.14 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 0.51 0.28 0.00 0.00 0.13 -1.88 -0.05 132.00 130.98 2jsp h PRO 64 Ca -0.11 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2jsp h PRO 64 Cb 0.41 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2jsp h PRO 64 CO 0.17 0.19 -0.25 0.00 -0.23 0.00 0.00 178.00 177.88 2jsp n ALA 65 N -2.56 2.88 -0.26 -0.56 0.00 -1.26 -4.67 120.51 114.08 2jsp n ALA 65 Ca 0.23 -2.89 0.07 0.00 0.00 0.00 0.00 53.44 50.85 2jsp n ALA 65 Cb 0.89 -0.38 0.21 0.00 0.00 0.00 0.00 19.45 20.18 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 0.46 0.35 -0.82 0.00 3.20 -1.32 -1.73 116.97 117.12 2jsp h TYR 66 Ca -0.00 0.04 -0.35 0.00 3.14 0.00 0.00 58.73 61.55 2jsp h TYR 66 Cb 1.02 -0.04 -0.40 0.00 1.54 0.00 0.00 36.73 38.85 2jsp h TYR 66 CO 0.34 -0.08 -1.09 0.00 -1.64 0.00 0.00 178.16 175.69 2jsp n ALA 67 N -2.63 3.40 -1.91 1.82 0.00 -1.26 -4.99 120.51 114.94 2jsp n ALA 67 Ca 0.16 -3.16 -0.08 0.00 0.00 0.00 0.00 53.44 50.36 2jsp n ALA 67 Cb 0.50 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 2jsp n ALA 67 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsp n GLU 68 N -0.35 -1.90 -4.33 0.00 0.28 -0.65 -1.24 120.64 112.44 2jsp n GLU 68 Ca 0.14 0.42 -0.39 0.00 -0.16 0.00 0.00 57.16 57.18 2jsp n GLU 68 Cb 0.81 -4.80 -0.07 0.00 1.43 0.00 0.00 31.44 28.81 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jsp n ALA 69 N -1.32 -1.19 -0.34 -1.84 0.00 -1.26 -4.90 120.51 109.66 2jsp n ALA 69 Ca -0.09 -0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.35 2jsp n ALA 69 Cb 0.43 -2.48 0.39 0.00 0.00 0.00 0.00 19.45 17.79 2jsp n ALA 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jsp h ARG 70 N -0.87 0.61 0.00 0.00 2.43 -1.52 -3.46 114.38 111.56 2jsp h ARG 70 Ca -0.55 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 2jsp h ARG 70 Cb 1.36 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2jsp h ARG 70 CO 0.81 0.40 0.00 0.45 -1.51 0.00 0.00 179.97 180.12 2jsp n SER 71 N -4.74 0.00 -0.18 -3.80 2.88 -1.26 -4.96 113.62 101.55 2jsp n SER 71 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2jsp n SER 71 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 0.00 0.79 0.00 -1.46 1.74 -1.26 -4.91 116.66 111.56 2jsp n ARG 72 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jsp n ARG 72 Cb 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.28 0.00 0.00 0.55 4.32 -1.26 -4.73 117.00 115.60 2jsp n LEU 73 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 2jsp n LEU 73 Cb 0.07 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.88 2jsp n LEU 73 CO 0.00 0.00 0.85 0.00 -1.22 0.00 0.00 177.39 177.02 2jsp n ALA 74 N 0.56 -2.81 -3.77 -1.18 0.00 -1.26 -4.81 120.51 107.24 2jsp n ALA 74 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.46 2jsp n ALA 74 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2jsp n ALA 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jsp n LYS 75 N -0.72 -1.29 -1.68 0.00 2.85 -1.26 -4.72 118.16 111.34 2jsp n LYS 75 Ca 0.02 0.60 -0.40 0.00 -1.05 0.00 0.00 58.31 57.48 2jsp n LYS 75 Cb 0.48 -2.08 -0.03 0.00 -0.65 0.00 0.00 35.03 32.75 2jsp n LYS 75 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2jsp s GLU 76 N -5.14 2.71 -1.44 -1.58 2.12 -1.26 -0.80 118.70 113.31 2jsp s GLU 76 Ca 0.06 1.59 0.00 0.00 0.36 0.00 0.00 54.97 56.98 2jsp s GLU 76 Cb -0.03 -4.43 0.00 0.00 0.26 0.00 0.00 34.13 29.92 2jsp s GLU 76 CO 0.85 -2.59 0.00 0.00 -0.54 0.00 0.00 175.26 172.99 2jsp n MET 77 N 8.86 -1.84 0.00 4.30 0.00 -1.26 -4.55 117.12 122.63 2jsp n MET 77 Ca 0.31 0.81 0.00 0.00 0.00 0.00 0.00 57.70 58.82 2jsp n MET 77 Cb 0.50 -5.36 0.00 0.00 0.00 0.00 0.00 33.22 28.36 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 -0.74 0.52 2.00 3.17 0.00 0.02 -4.95 105.19 105.21 2jsp n GLY 78 Ca -0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.01 0.00 0.99 4.32 -1.26 -4.70 117.00 116.34 2jsp n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2jsp n LEU 79 Cb 0.00 0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2jsp n LEU 79 CO 0.00 -0.50 0.00 0.61 -1.22 0.00 0.00 177.39 176.28 2jsp n GLY 80 N -0.71 1.19 1.35 -0.72 0.00 -1.26 -2.79 105.19 102.24 2jsp n GLY 80 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 2jsp n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsp n GLN 81 N 0.00 1.61 0.00 1.61 10.64 -1.26 -4.76 117.38 125.23 2jsp n GLN 81 Ca 0.00 -3.18 0.00 0.00 -1.83 0.00 0.00 57.00 51.99 2jsp n GLN 81 Cb 0.00 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 2jsp n GLN 81 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2jsp n ARG 82 N -0.58 0.00 0.00 2.61 1.85 -1.12 -5.07 116.66 114.34 2jsp n ARG 82 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 2jsp n ARG 82 Cb 0.87 -0.33 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 2jsp n ARG 82 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2jsp n ARG 83 N -2.80 0.00 -3.64 2.89 1.85 -1.26 -4.30 116.66 109.40 2jsp n ARG 83 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 2jsp n ARG 83 Cb 0.32 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.66 2jsp n ARG 83 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2jsp s LYS 84 N 0.00 0.44 -0.45 2.89 2.47 -1.26 -5.09 119.74 118.73 2jsp s LYS 84 Ca 0.00 0.72 -0.09 0.00 -1.56 0.00 0.00 55.97 55.04 2jsp s LYS 84 Cb 0.00 0.11 0.10 0.00 -1.46 0.00 0.00 37.83 36.58 2jsp s LYS 84 CO 0.00 -0.09 0.32 0.00 0.16 0.00 0.00 175.35 175.74 2jsp s ALA 85 N 1.23 3.36 0.17 3.13 0.00 -1.26 -4.83 121.76 123.55 2jsp s ALA 85 Ca -0.08 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.49 2jsp s ALA 85 Cb -0.04 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2jsp s ALA 85 CO -0.14 -1.81 0.00 -1.71 0.00 0.00 0.00 175.76 172.09 2jsp n ASN 86 N 4.92 -6.60 0.00 0.00 5.15 -1.26 -5.30 115.26 112.17 2jsp n ASN 86 Ca -0.09 0.89 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 2jsp n ASN 86 Cb 0.42 -3.43 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 2jsp n ASN 86 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55