#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 0.14 -3.98 0.00 0.31 -1.26 -5.06 118.33 108.47 2jsp n VAL 2 Ca 0.00 0.07 -0.29 0.00 -0.01 0.00 0.00 64.34 64.11 2jsp n VAL 2 Cb 0.00 -1.09 -0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 -2.61 -2.29 -2.76 4.52 0.23 -1.26 -4.83 115.26 106.26 2jsp n ASN 3 Ca -0.00 -0.93 -0.19 0.00 -0.53 0.00 0.00 54.58 52.93 2jsp n ASN 3 Cb 0.00 -3.31 -0.06 0.00 -2.08 0.00 0.00 39.78 34.33 2jsp n ASN 3 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2jsp n VAL 4 N -4.45 2.56 -2.39 3.53 3.14 -1.26 -4.29 118.33 115.17 2jsp n VAL 4 Ca -0.12 -1.44 -0.04 0.00 -2.96 0.00 0.00 64.34 59.78 2jsp n VAL 4 Cb 0.60 -2.08 0.01 0.00 -1.06 0.00 0.00 33.84 31.30 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 3.44 -1.80 -3.57 1.45 1.02 -1.26 -4.60 120.64 115.32 2jsp n GLU 5 Ca 0.43 1.71 -0.19 0.00 -0.02 0.00 0.00 57.16 59.09 2jsp n GLU 5 Cb 0.36 -4.24 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 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 -0.16 -1.54 -1.78 3.49 4.01 -1.26 -4.80 118.16 116.11 2jsp n LYS 6 Ca 0.06 1.03 -0.19 0.00 -0.51 0.00 0.00 58.31 58.70 2jsp n LYS 6 Cb 0.24 -3.21 -0.06 0.00 -0.51 0.00 0.00 35.03 31.48 2jsp n LYS 6 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2jsp s GLN 7 N -4.22 1.99 -0.44 1.97 1.03 -1.26 -4.38 119.66 114.34 2jsp s GLN 7 Ca 0.04 0.07 0.01 0.00 0.04 0.00 0.00 55.36 55.52 2jsp s GLN 7 Cb -0.01 -4.92 0.12 0.00 0.03 0.00 0.00 33.01 28.23 2jsp s GLN 7 CO 0.86 -4.07 0.20 0.15 -2.54 0.00 0.00 175.29 169.89 2jsp s LYS 8 N 8.04 1.92 -0.31 9.60 1.02 -1.04 -4.98 119.74 133.98 2jsp s LYS 8 Ca 0.82 -2.11 -0.28 0.00 0.02 0.00 0.00 55.97 54.42 2jsp s LYS 8 Cb -0.10 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2jsp s LYS 8 CO 0.05 -1.05 1.85 -1.25 -0.92 0.00 0.00 175.35 174.03 2jsp s PRO 9 N 0.60 3.32 -0.30 -1.68 0.04 -1.26 -1.91 135.00 133.81 2jsp s PRO 9 Ca 0.12 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.62 2jsp s PRO 9 Cb -0.22 -4.22 -0.19 0.00 0.04 0.00 0.00 34.50 29.91 2jsp s PRO 9 CO -0.05 -1.87 3.01 0.00 0.04 0.00 0.00 177.00 178.13 2jsp n ALA 10 N 10.41 5.71 -1.20 8.56 0.00 -1.26 -4.91 120.51 137.82 2jsp n ALA 10 Ca 0.24 -1.84 0.09 0.00 0.00 0.00 0.00 53.44 51.93 2jsp n ALA 10 Cb 0.46 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 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 2.85 0.00 -3.37 0.00 0.31 -1.26 -4.80 118.33 112.07 2jsp n VAL 11 Ca 0.42 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.37 2jsp n VAL 11 Cb 0.64 -0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 33.28 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 -5.45 6.83 0.00 4.52 0.15 -1.26 -5.04 113.70 113.44 2jsp s SER 12 Ca 0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2jsp s SER 12 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2jsp s SER 12 CO 0.00 0.18 0.00 0.55 1.20 0.00 0.00 173.24 175.17 2jsp n VAL 13 N 2.54 0.00 0.00 4.45 3.14 -1.26 -4.52 118.33 122.68 2jsp n VAL 13 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2jsp n VAL 13 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 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 0.00 0.00 -2.78 1.45 1.74 -1.26 -1.12 116.66 114.70 2jsp n ARG 14 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2jsp n ARG 14 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2jsp n ARG 14 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2jsp n LYS 15 N 0.00 4.47 0.02 5.56 0.00 -1.26 -4.72 118.16 122.23 2jsp n LYS 15 Ca 0.00 -4.76 0.11 0.00 -0.00 0.00 0.00 58.31 53.66 2jsp n LYS 15 Cb 0.00 -2.37 0.54 0.00 -0.00 0.00 0.00 35.03 33.21 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2jsp h SER 16 N 3.66 0.25 -3.03 -5.58 0.02 -1.44 -3.39 113.55 104.04 2jsp h SER 16 Ca 0.36 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.74 2jsp h SER 16 Cb 0.40 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2jsp h SER 16 CO 1.02 0.16 0.90 -0.69 -1.14 0.00 0.00 176.83 177.08 2jsp s VAL 17 N -5.29 4.34 0.00 2.27 1.01 -1.26 -2.31 120.40 119.17 2jsp s VAL 17 Ca -0.07 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2jsp s VAL 17 Cb 0.19 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2jsp s VAL 17 CO 0.73 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.57 2jsp n GLN 18 N 6.75 2.71 -1.88 2.72 6.02 -0.37 -5.04 117.38 128.29 2jsp n GLN 18 Ca 0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.90 2jsp n GLN 18 Cb 0.46 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.63 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 0.32 4.36 -1.49 1.08 1.11 -1.26 -3.47 116.67 117.32 2jsp s ASP 19 Ca 0.00 -1.41 -0.01 0.00 0.18 0.00 0.00 52.55 51.31 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 -3.80 0.09 0.47 1.18 0.00 0.00 175.17 173.11 2jsp n ASP 20 N 16.61 -5.15 -3.73 0.27 9.92 -1.26 -4.99 116.55 128.22 2jsp n ASP 20 Ca 0.43 0.01 -0.13 0.00 -0.53 0.00 0.00 54.79 54.58 2jsp n ASP 20 Cb 0.47 -4.29 -0.13 0.00 -0.64 0.00 0.00 41.12 36.52 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 -2.90 -0.29 -0.18 1.24 -3.43 -1.23 -4.11 115.29 104.40 2jsp s HIS 21 Ca 0.05 0.72 -0.06 0.00 -0.80 0.00 0.00 55.06 54.96 2jsp s HIS 21 Cb -0.02 -0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 2jsp s HIS 21 CO 0.06 -0.23 0.03 -1.50 -2.00 0.00 0.00 174.74 171.11 2jsp s ILE 22 N 1.35 4.50 -0.03 -5.38 2.07 0.14 -1.24 121.20 122.61 2jsp s ILE 22 Ca -0.08 -0.14 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 2jsp s ILE 22 Cb -0.11 -3.01 -0.03 0.00 0.13 0.00 0.00 42.46 39.44 2jsp s ILE 22 CO -0.08 0.47 0.97 0.54 -1.91 0.00 0.00 174.94 174.93 2jsp s VAL 23 N 0.40 4.85 -0.56 4.00 0.11 -0.98 -1.91 120.40 126.32 2jsp s VAL 23 Ca 0.01 2.02 -0.28 0.00 -2.93 0.00 0.00 61.98 60.80 2jsp s VAL 23 Cb -0.13 -4.30 0.01 0.00 -1.53 0.00 0.00 36.38 30.43 2jsp s VAL 23 CO 0.01 0.12 1.40 0.00 -3.33 0.00 0.00 175.10 173.30 2jsp s LEU 25 N 6.00 4.38 0.00 0.00 1.43 -1.26 -0.95 118.68 128.28 2jsp s LEU 25 Ca 0.52 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.48 2jsp s LEU 25 Cb -0.11 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2jsp s LEU 25 CO 0.25 -0.70 0.00 1.21 0.23 0.00 0.00 176.35 177.34 2jsp n GLU 26 N 0.66 -0.69 0.08 1.70 0.00 -0.80 -4.68 120.64 116.91 2jsp n GLU 26 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2jsp n GLU 26 Cb 0.41 -3.77 0.00 0.00 0.00 0.00 0.00 31.44 28.08 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jsp n GLY 28 N 2.18 3.07 3.68 0.00 0.00 -0.12 -4.61 105.19 109.38 2jsp n GLY 28 Ca 0.00 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 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 0.71 3.59 -0.02 0.00 -1.26 -4.10 105.19 104.11 2jsp n GLY 29 Ca 0.00 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 0.14 4.54 0.22 1.61 0.15 -1.26 -2.61 113.70 116.49 2jsp s SER 30 Ca 0.65 -0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.81 2jsp s SER 30 Cb -0.63 -0.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.76 2jsp s SER 30 CO 0.53 0.21 0.64 0.72 1.20 0.00 0.00 173.24 176.54 2jsp s PHE 31 N -1.15 -0.32 0.21 3.44 -0.12 -0.80 -4.90 117.98 114.34 2jsp s PHE 31 Ca 0.20 -0.02 -0.08 0.00 -0.05 0.00 0.00 56.93 56.98 2jsp s PHE 31 Cb -0.11 0.60 0.14 0.00 -0.63 0.00 0.00 43.02 43.01 2jsp s PHE 31 CO 0.12 -1.03 1.75 1.57 -0.05 0.00 0.00 175.22 177.58 2jsp h LYS 32 N 2.03 1.17 -5.52 1.99 2.10 -1.86 0.39 116.57 116.87 2jsp h LYS 32 Ca -0.27 -0.24 -0.67 0.00 -2.00 0.00 0.00 60.65 57.47 2jsp h LYS 32 Cb 1.28 -0.17 -0.32 0.00 -0.90 0.00 0.00 32.23 32.11 2jsp h LYS 32 CO 0.31 0.98 -0.88 -1.54 -2.00 0.00 0.00 179.45 176.33 2jsp s SER 33 N -6.40 2.95 -0.20 7.07 1.04 -1.26 -0.94 113.70 115.95 2jsp s SER 33 Ca -0.12 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.85 2jsp s SER 33 Cb 0.15 -1.13 -0.17 0.00 0.10 0.00 0.00 66.02 64.98 2jsp s SER 33 CO 0.84 0.18 -0.11 -0.11 0.98 0.00 0.00 173.24 175.02 2jsp n LEU 34 N 3.32 2.01 -0.14 2.42 7.94 -0.12 -4.27 117.00 128.16 2jsp n LEU 34 Ca -0.19 -0.08 0.16 0.00 -1.11 0.00 0.00 56.01 54.79 2jsp n LEU 34 Cb 0.53 -0.39 0.53 0.00 0.53 0.00 0.00 43.42 44.62 2jsp n LEU 34 CO 0.27 0.73 1.21 0.07 -1.11 0.00 0.00 177.39 178.55 2jsp h LYS 35 N 0.00 0.35 0.00 1.96 2.10 -0.86 0.37 116.57 120.49 2jsp h LYS 35 Ca -0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2jsp h LYS 35 Cb 1.86 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2jsp h LYS 35 CO -0.04 0.23 0.00 0.54 -2.00 0.00 0.00 179.45 178.18 2jsp n ARG 36 N -4.46 0.00 -0.24 0.07 5.12 -1.26 -3.42 116.66 112.47 2jsp n ARG 36 Ca 0.14 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.10 2jsp n ARG 36 Cb 0.54 -0.93 0.15 0.00 -1.16 0.00 0.00 32.46 31.06 2jsp n ARG 36 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2jsp h HIS 37 N 0.00 0.10 0.00 -1.55 2.76 -1.61 0.80 115.15 115.65 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 0.00 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2jsp h HIS 37 CO 0.00 -0.15 0.00 -0.11 -1.30 0.00 0.00 177.93 176.37 2jsp n LEU 38 N -5.24 0.00 -0.06 0.26 -0.00 0.12 -0.19 117.00 111.89 2jsp n LEU 38 Ca 0.12 0.96 0.20 0.00 -0.00 0.00 0.00 56.01 57.29 2jsp n LEU 38 Cb 0.43 -0.46 0.64 0.00 -0.00 0.00 0.00 43.42 44.04 2jsp n LEU 38 CO 0.10 -0.46 1.20 0.74 -0.00 0.00 0.00 177.39 178.97 2jsp h THR 39 N 0.00 0.73 0.42 1.96 2.02 -1.32 0.66 112.91 117.38 2jsp h THR 39 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2jsp h THR 39 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2jsp h THR 39 CO 0.00 0.02 -0.20 0.74 0.37 0.00 0.00 175.52 176.45 2jsp h THR 40 N 0.11 0.00 0.00 3.16 2.02 -0.67 -3.29 112.91 114.25 2jsp h THR 40 Ca 0.30 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2jsp h THR 40 Cb 1.04 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2jsp h THR 40 CO -0.03 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.27 2jsp n HIS 41 N -4.03 0.00 0.18 3.16 8.25 0.74 -4.39 115.22 119.12 2jsp n HIS 41 Ca -0.07 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.57 2jsp n HIS 41 Cb 0.22 -0.05 0.81 0.00 1.12 0.00 0.00 29.99 32.09 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 -0.91 4.41 -0.00 -1.61 -3.49 115.15 113.55 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 -3.62 -2.74 -0.78 2.45 7.64 0.22 -4.92 113.62 111.87 2jsp n SER 43 Ca 0.03 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.01 2jsp n SER 43 Cb 0.44 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.61 -1.82 -2.25 1.43 2.81 -1.26 -3.58 117.12 111.84 2jsp n MET 44 Ca 0.00 1.49 -0.37 0.00 -1.81 0.00 0.00 57.70 57.02 2jsp n MET 44 Cb 0.00 -2.12 -0.01 0.00 -0.71 0.00 0.00 33.22 30.38 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 -3.71 3.10 0.23 2.03 -4.23 -1.26 -3.83 115.64 107.96 2jsp s THR 45 Ca 0.00 0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 2jsp s THR 45 Cb 0.00 -3.38 0.19 0.00 1.34 0.00 0.00 72.50 70.65 2jsp s THR 45 CO 0.00 -0.05 1.78 1.55 -0.54 0.00 0.00 174.62 177.36 2jsp h PRO 46 N 1.80 0.61 -0.65 3.99 0.13 -1.92 -0.56 132.00 135.40 2jsp h PRO 46 Ca -0.50 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2jsp h PRO 46 Cb 1.25 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2jsp h PRO 46 CO 0.59 0.41 0.32 0.93 -0.23 0.00 0.00 178.00 180.01 2jsp h GLU 47 N 0.63 0.93 -0.46 0.86 3.07 -1.94 -1.55 114.58 116.12 2jsp h GLU 47 Ca 0.37 -0.13 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2jsp h GLU 47 Cb 0.40 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 2jsp h GLU 47 CO -0.28 0.74 -0.18 1.49 -1.40 0.00 0.00 179.01 179.38 2jsp h GLU 48 N 0.89 0.90 -0.86 2.33 4.57 -1.75 -2.91 114.58 117.75 2jsp h GLU 48 Ca 0.22 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2jsp h GLU 48 Cb 0.11 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 2jsp h GLU 48 CO -0.03 1.00 0.57 -0.92 -1.18 0.00 0.00 179.01 178.45 2jsp h TYR 49 N 0.79 1.05 -0.77 0.92 3.20 -0.86 -1.98 116.97 119.32 2jsp h TYR 49 Ca 0.11 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.09 2jsp h TYR 49 Cb 0.72 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 2jsp h TYR 49 CO 0.04 0.63 0.50 0.07 -1.64 0.00 0.00 178.16 177.77 2jsp h ARG 50 N 1.11 0.74 -0.61 1.82 -0.00 -1.08 -1.80 114.38 114.57 2jsp h ARG 50 Ca 0.33 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.98 60.21 2jsp h ARG 50 Cb -0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.97 29.74 2jsp h ARG 50 CO -0.09 0.49 0.15 1.49 -0.00 0.00 0.00 179.97 182.02 2jsp h GLU 51 N 0.76 0.94 -0.33 0.08 4.81 -1.38 0.21 114.58 119.67 2jsp h GLU 51 Ca 0.34 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2jsp h GLU 51 Cb 0.34 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 2jsp h GLU 51 CO -0.12 0.83 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.68 2jsp h LYS 52 N 0.90 -0.01 -0.51 1.92 1.63 -1.25 -0.72 116.57 118.54 2jsp h LYS 52 Ca 0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2jsp h LYS 52 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2jsp h LYS 52 CO -0.00 -0.01 0.00 0.91 -3.45 0.00 0.00 179.45 176.90 2jsp n TRP 53 N -5.28 0.72 -2.27 1.91 7.02 -1.08 -4.93 117.44 113.52 2jsp n TRP 53 Ca 0.01 -0.34 -0.12 0.00 -1.02 0.00 0.00 57.50 56.03 2jsp n TRP 53 Cb 0.19 -0.04 -0.01 0.00 -2.42 0.00 0.00 31.31 29.04 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 0.87 -3.73 -4.62 -0.99 8.00 -0.28 -4.86 116.55 110.94 2jsp n ASP 54 Ca 0.16 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.45 2jsp n ASP 54 Cb 0.45 -3.22 -0.03 0.00 -0.02 0.00 0.00 41.12 38.30 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jsp s LEU 55 N -5.29 3.74 0.53 0.64 2.01 0.60 -4.93 118.68 115.98 2jsp s LEU 55 Ca 0.00 1.74 -0.22 0.00 0.01 0.00 0.00 54.13 55.66 2jsp s LEU 55 Cb 0.00 -3.52 -0.07 0.00 0.01 0.00 0.00 46.19 42.61 2jsp s LEU 55 CO 0.00 -1.53 1.14 -0.81 1.01 0.00 0.00 176.35 176.16 2jsp n PRO 56 N 8.13 1.38 -2.13 1.29 -0.04 -1.26 -2.74 135.00 139.63 2jsp n PRO 56 Ca 0.23 0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 64.07 2jsp n PRO 56 Cb 0.45 -2.30 -0.02 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 -1.07 -0.41 -3.91 0.52 3.14 -1.26 -2.49 118.33 112.85 2jsp n VAL 57 Ca 0.11 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.08 2jsp n VAL 57 Cb 0.44 -1.56 0.03 0.00 -1.06 0.00 0.00 33.84 31.68 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 -1.39 -4.66 -1.94 6.55 5.75 -1.11 -4.81 116.55 114.94 2jsp n ASP 58 Ca -0.14 -1.18 -0.24 0.00 -0.01 0.00 0.00 54.79 53.23 2jsp n ASP 58 Cb 0.55 -2.36 -0.03 0.00 -1.03 0.00 0.00 41.12 38.25 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 -4.67 0.06 -1.79 2.11 9.36 -1.04 -4.84 117.16 116.35 2jsp n TYR 59 Ca -0.10 0.44 -0.40 0.00 3.32 0.00 0.00 57.90 61.16 2jsp n TYR 59 Cb 0.57 -0.89 0.01 0.00 -0.63 0.00 0.00 39.34 38.41 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 -0.19 3.90 -0.48 2.98 0.04 -1.26 -4.93 135.00 135.06 2jsp s PRO 60 Ca 0.35 2.51 0.03 0.00 0.04 0.00 0.00 61.00 63.92 2jsp s PRO 60 Cb -0.49 -2.82 0.59 0.00 0.04 0.00 0.00 34.50 31.82 2jsp s PRO 60 CO 0.25 -0.68 1.86 -1.33 0.04 0.00 0.00 177.00 177.14 2jsp n MET 61 N 0.14 2.35 -4.20 4.56 2.81 -1.26 -4.97 117.12 116.55 2jsp n MET 61 Ca 0.03 -3.15 -0.12 0.00 -1.81 0.00 0.00 57.70 52.66 2jsp n MET 61 Cb 0.40 -2.16 -0.10 0.00 -0.71 0.00 0.00 33.22 30.65 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 -3.72 0.14 0.34 2.03 1.01 -1.26 -0.05 120.40 118.89 2jsp s VAL 62 Ca 0.57 -1.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.33 2jsp s VAL 62 Cb 0.48 -2.34 -0.14 0.00 0.00 0.00 0.00 36.38 34.38 2jsp s VAL 62 CO 0.06 -0.19 0.64 0.00 0.00 0.00 0.00 175.10 175.61 2jsp n ALA 63 N -0.23 -1.53 -0.32 5.51 0.00 -0.12 -4.84 120.51 118.99 2jsp n ALA 63 Ca -0.01 0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.85 2jsp n ALA 63 Cb 0.65 -1.79 0.31 0.00 0.00 0.00 0.00 19.45 18.62 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 1.12 0.09 -0.62 0.00 0.13 -1.89 -0.36 132.00 130.47 2jsp h PRO 64 Ca -0.37 -0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.31 2jsp h PRO 64 Cb 1.39 -0.02 -0.41 0.00 0.13 0.00 0.00 31.00 32.10 2jsp h PRO 64 CO 0.55 0.06 -0.90 0.00 -0.23 0.00 0.00 178.00 177.47 2jsp n ALA 65 N -2.87 4.22 0.02 -0.56 0.00 -1.26 -4.81 120.51 115.25 2jsp n ALA 65 Ca 0.23 -3.45 -0.12 0.00 0.00 0.00 0.00 53.44 50.11 2jsp n ALA 65 Cb 0.76 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 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 2.26 -1.07 0.00 0.00 3.20 -1.39 -3.39 116.97 116.58 2jsp h TYR 66 Ca 0.20 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.96 2jsp h TYR 66 Cb 1.45 0.48 -0.13 0.00 1.54 0.00 0.00 36.73 40.07 2jsp h TYR 66 CO 0.73 -0.45 -0.19 0.00 -1.64 0.00 0.00 178.16 176.61 2jsp n ALA 67 N -2.88 -2.26 -3.81 1.82 0.00 -1.26 -5.08 120.51 107.04 2jsp n ALA 67 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 2jsp n ALA 67 Cb 0.35 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2jsp n ALA 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2jsp s GLU 68 N 0.23 1.15 -1.12 0.00 -1.05 -1.26 -4.86 118.70 111.79 2jsp s GLU 68 Ca 0.24 -0.70 -0.05 0.00 -0.15 0.00 0.00 54.97 54.32 2jsp s GLU 68 Cb 0.27 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.27 2jsp s GLU 68 CO -0.14 -0.53 0.92 0.00 0.95 0.00 0.00 175.26 176.46 2jsp n ALA 69 N -0.60 -2.31 -1.41 -0.84 0.00 -0.19 -4.77 120.51 110.39 2jsp n ALA 69 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jsp n ALA 69 Cb 0.60 -4.31 0.00 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.66 0.00 -3.26 0.00 0.63 -1.26 -4.98 116.66 104.13 2jsp n ARG 70 Ca -0.16 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.33 2jsp n ARG 70 Cb 0.64 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.47 2jsp n ARG 70 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jsp s SER 71 N 1.88 6.21 -1.67 6.15 0.15 -1.26 -3.94 113.70 121.21 2jsp s SER 71 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2jsp s SER 71 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2jsp s SER 71 CO 0.00 -0.72 0.00 -1.14 1.20 0.00 0.00 173.24 172.58 2jsp n ARG 72 N 5.79 -1.77 0.00 5.44 0.63 -1.26 -4.21 116.66 121.28 2jsp n ARG 72 Ca -0.07 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2jsp n ARG 72 Cb 0.46 -5.60 0.00 0.00 0.45 0.00 0.00 32.46 27.77 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 -2.96 0.00 0.00 6.15 -0.00 -1.25 -4.59 117.00 114.35 2jsp n LEU 73 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2jsp n LEU 73 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2jsp n LEU 73 CO 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.66 2jsp n ALA 74 N 0.67 0.00 -1.09 1.96 0.00 -1.26 -1.03 120.51 119.76 2jsp n ALA 74 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2jsp n ALA 74 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.19 -1.78 0.00 5.02 -1.26 -5.07 118.16 112.88 2jsp n LYS 75 Ca 0.00 1.44 0.00 0.00 -2.02 0.00 0.00 58.31 57.73 2jsp n LYS 75 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.34 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 -3.32 -4.19 -0.29 1.97 0.00 -1.26 -4.86 120.64 108.69 2jsp n GLU 76 Ca 0.01 3.10 0.10 0.00 0.00 0.00 0.00 57.16 60.37 2jsp n GLU 76 Cb 0.50 -3.37 0.26 0.00 0.00 0.00 0.00 31.44 28.83 2jsp n GLU 76 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2jsp h MET 77 N 3.28 0.45 0.00 5.31 1.85 -2.03 -3.45 114.93 120.35 2jsp h MET 77 Ca 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2jsp h MET 77 Cb 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 31.93 2jsp h MET 77 CO 0.00 0.30 0.00 0.41 -0.40 0.00 0.00 176.91 177.22 2jsp n GLY 78 N -1.33 0.87 2.65 1.39 0.00 -1.26 -4.73 105.19 102.77 2jsp n GLY 78 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -7.68 0.01 0.99 4.77 -1.26 -4.99 117.00 108.83 2jsp n LEU 79 Ca 0.00 1.31 -0.11 0.00 -0.03 0.00 0.00 56.01 57.18 2jsp n LEU 79 Cb 0.00 -3.22 -0.07 0.00 -2.33 0.00 0.00 43.42 37.80 2jsp n LEU 79 CO 0.00 -3.00 0.50 1.23 -1.33 0.00 0.00 177.39 174.80 2jsp h GLY 80 N 2.82 -1.23 -5.38 -0.72 0.00 -2.01 -3.43 103.07 93.12 2jsp h GLY 80 Ca 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 47.33 47.81 2jsp h GLY 80 CO 0.10 -0.32 -0.54 1.62 0.00 0.00 0.00 176.54 177.40 2jsp s GLN 81 N -4.91 0.19 -0.31 4.80 2.00 -1.26 -5.13 119.66 115.05 2jsp s GLN 81 Ca -0.11 0.15 -0.02 0.00 -2.00 0.00 0.00 55.36 53.38 2jsp s GLN 81 Cb 0.05 0.09 0.11 0.00 0.80 0.00 0.00 33.01 34.06 2jsp s GLN 81 CO 0.43 -0.03 0.13 0.50 -0.50 0.00 0.00 175.29 175.83 2jsp s ARG 82 N -0.04 0.49 0.08 1.67 3.52 -1.26 -4.89 118.95 118.52 2jsp s ARG 82 Ca -0.01 -0.92 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 2jsp s ARG 82 Cb -0.02 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 2jsp s ARG 82 CO 0.00 -1.04 0.00 -2.13 -0.81 0.00 0.00 175.30 171.32 2jsp n ARG 83 N 4.85 0.00 0.00 5.12 0.63 -1.26 -5.18 116.66 120.82 2jsp n ARG 83 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2jsp n ARG 83 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 2jsp n ARG 83 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2jsp n LYS 84 N -2.83 0.00 -3.77 -0.14 2.85 -1.26 -5.05 118.16 107.96 2jsp n LYS 84 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2jsp n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jsp s ALA 85 N -1.42 -2.09 -0.37 0.58 0.00 -1.26 -5.09 121.76 112.11 2jsp s ALA 85 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 2jsp s ALA 85 Cb 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 23.12 23.66 2jsp s ALA 85 CO 0.00 -1.08 2.28 0.54 0.00 0.00 0.00 175.76 177.50 2jsp s ASN 86 N -3.24 4.98 0.00 0.00 2.20 -1.26 -5.33 114.94 112.29 2jsp s ASN 86 Ca 0.19 1.43 0.00 0.00 -0.94 0.00 0.00 52.86 53.53 2jsp s ASN 86 Cb 0.01 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 2jsp s ASN 86 CO -0.01 -2.40 0.00 -2.11 -2.94 0.00 0.00 177.10 169.64