#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 5.61 -1.15 0.00 0.24 -1.26 -4.88 118.33 116.88 2jsp n VAL 2 Ca 0.00 -5.65 -0.34 0.00 -2.04 0.00 0.00 64.34 56.31 2jsp n VAL 2 Cb 0.00 -1.86 -0.02 0.00 -1.47 0.00 0.00 33.84 30.48 2jsp n VAL 2 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2jsp n ASN 3 N 0.95 6.64 -2.77 -1.34 6.94 -1.26 -4.51 115.26 119.91 2jsp n ASN 3 Ca 0.41 -2.52 -0.18 0.00 -0.02 0.00 0.00 54.58 52.27 2jsp n ASN 3 Cb 0.29 -1.39 -0.06 0.00 -2.36 0.00 0.00 39.78 36.26 2jsp n ASN 3 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2jsp n VAL 4 N 4.09 2.42 -3.13 3.53 0.24 -1.26 -4.42 118.33 119.79 2jsp n VAL 4 Ca 0.63 -1.36 -0.04 0.00 -2.04 0.00 0.00 64.34 61.52 2jsp n VAL 4 Cb 0.22 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.54 2jsp n VAL 4 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2jsp n GLU 5 N 3.50 -1.47 0.00 7.34 2.13 -1.26 -4.95 120.64 125.93 2jsp n GLU 5 Ca 0.41 1.48 0.00 0.00 0.66 0.00 0.00 57.16 59.71 2jsp n GLU 5 Cb 0.33 -5.29 0.00 0.00 0.27 0.00 0.00 31.44 26.76 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 -1.69 0.00 0.00 5.31 5.02 -1.26 -5.16 118.16 120.38 2jsp n LYS 6 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2jsp n LYS 6 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.00 -4.01 1.97 3.00 -1.26 -5.08 117.38 111.99 2jsp n GLN 7 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2jsp n GLN 7 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jsp s LYS 8 N 0.64 1.61 -0.67 -1.09 3.01 -1.26 -4.06 119.74 117.93 2jsp s LYS 8 Ca 0.00 -1.67 -0.26 0.00 -1.01 0.00 0.00 55.97 53.03 2jsp s LYS 8 Cb 0.00 -3.04 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 2jsp s LYS 8 CO 0.00 -0.84 1.84 -1.25 0.51 0.00 0.00 175.35 175.61 2jsp s PRO 9 N 1.01 2.65 -0.98 -1.68 0.04 -1.26 -2.11 135.00 132.68 2jsp s PRO 9 Ca 0.06 0.41 -0.06 0.00 0.04 0.00 0.00 61.00 61.44 2jsp s PRO 9 Cb -0.19 -4.49 -0.07 0.00 0.04 0.00 0.00 34.50 29.79 2jsp s PRO 9 CO -0.08 -2.80 2.32 0.00 0.04 0.00 0.00 177.00 176.48 2jsp n ALA 10 N 12.73 5.26 -0.21 8.56 0.00 -1.26 -4.92 120.51 140.66 2jsp n ALA 10 Ca 0.23 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.44 2jsp n ALA 10 Cb 0.51 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.95 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 3.95 0.00 -1.51 0.00 0.24 -1.26 -4.74 118.33 115.01 2jsp n VAL 11 Ca 0.50 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.53 2jsp n VAL 11 Cb 0.19 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 32.76 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2jsp n SER 12 N -3.79 -0.73 -3.67 -1.34 2.88 -1.26 -5.08 113.62 100.62 2jsp n SER 12 Ca 0.00 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 2jsp n SER 12 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2jsp n SER 12 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2jsp n VAL 13 N -4.07 0.00 0.00 2.46 3.14 -1.26 -4.28 118.33 114.32 2jsp n VAL 13 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 2jsp n VAL 13 Cb 0.53 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 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 -0.12 0.00 -0.09 1.45 0.00 -1.26 -4.34 116.66 112.30 2jsp n ARG 14 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 2jsp n ARG 14 Cb 0.00 -0.12 0.33 0.00 0.00 0.00 0.00 32.46 32.66 2jsp n ARG 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jsp n LYS 15 N 0.00 1.98 -0.04 -0.14 5.02 -1.26 -4.02 118.16 119.70 2jsp n LYS 15 Ca 0.00 -1.46 0.22 0.00 -2.02 0.00 0.00 58.31 55.05 2jsp n LYS 15 Cb 0.00 -1.44 0.70 0.00 -0.02 0.00 0.00 35.03 34.27 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 3.04 0.00 -3.64 4.39 0.02 -1.77 -3.40 113.55 112.20 2jsp h SER 16 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2jsp h SER 16 Cb 0.66 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.11 2jsp h SER 16 CO 0.00 0.00 0.72 -0.69 -1.14 0.00 0.00 176.83 175.72 2jsp s VAL 17 N -5.00 4.40 0.02 2.27 1.01 -1.26 -2.24 120.40 119.60 2jsp s VAL 17 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2jsp s VAL 17 Cb 0.20 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2jsp s VAL 17 CO 0.74 -0.83 0.00 0.00 0.00 0.00 0.00 175.10 175.01 2jsp n GLN 18 N 7.33 1.68 -1.81 2.72 6.02 -1.03 -5.04 117.38 127.25 2jsp n GLN 18 Ca 0.09 -0.17 -0.25 0.00 -0.01 0.00 0.00 57.00 56.66 2jsp n GLN 18 Cb 0.49 0.06 -0.08 0.00 1.02 0.00 0.00 30.24 31.72 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 -1.28 2.41 -3.80 1.08 9.92 -1.26 -3.69 116.55 119.94 2jsp n ASP 19 Ca -0.01 -2.62 -0.23 0.00 -0.53 0.00 0.00 54.79 51.40 2jsp n ASP 19 Cb 0.03 -1.67 0.01 0.00 -0.64 0.00 0.00 41.12 38.85 2jsp n ASP 19 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jsp n ASP 20 N 15.76 -1.11 -3.27 -2.24 9.92 -1.26 -5.00 116.55 129.35 2jsp n ASP 20 Ca 0.44 -0.88 0.03 0.00 -0.53 0.00 0.00 54.79 53.85 2jsp n ASP 20 Cb 0.46 -3.72 -0.02 0.00 -0.64 0.00 0.00 41.12 37.20 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 -3.74 -1.12 -0.07 1.24 -3.43 -1.24 -4.65 115.29 102.29 2jsp s HIS 21 Ca 0.05 1.41 -0.28 0.00 -0.80 0.00 0.00 55.06 55.43 2jsp s HIS 21 Cb -0.03 0.47 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 2jsp s HIS 21 CO 0.84 -0.59 0.93 -1.50 -2.00 0.00 0.00 174.74 172.42 2jsp s ILE 22 N 2.82 4.87 0.00 -5.38 2.07 -1.26 -2.48 121.20 121.84 2jsp s ILE 22 Ca 0.07 1.92 -0.30 0.00 -1.41 0.00 0.00 60.65 60.93 2jsp s ILE 22 Cb -0.12 -4.26 -0.04 0.00 0.13 0.00 0.00 42.46 38.17 2jsp s ILE 22 CO -0.17 0.10 1.19 0.54 -1.91 0.00 0.00 174.94 174.69 2jsp s VAL 23 N 1.46 4.17 -0.44 4.00 0.11 -0.95 -2.47 120.40 126.28 2jsp s VAL 23 Ca 0.47 1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 60.77 2jsp s VAL 23 Cb -0.19 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.69 2jsp s VAL 23 CO 0.21 0.06 1.28 0.00 -3.33 0.00 0.00 175.10 173.33 2jsp n LEU 25 N 8.33 3.75 -1.87 0.00 7.99 -1.26 -0.02 117.00 133.93 2jsp n LEU 25 Ca 0.14 1.19 -0.19 0.00 -0.01 0.00 0.00 56.01 57.15 2jsp n LEU 25 Cb 0.48 -1.51 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 2jsp n LEU 25 CO 0.71 -0.29 -0.22 1.21 -1.51 0.00 0.00 177.39 177.29 2jsp n GLU 26 N 1.11 -1.41 0.18 3.23 2.13 -0.90 -4.64 120.64 120.34 2jsp n GLU 26 Ca 0.06 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.87 2jsp n GLU 26 Cb 0.35 -5.44 0.00 0.00 0.27 0.00 0.00 31.44 26.63 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 0.14 2.89 3.77 0.00 0.00 0.98 -4.17 105.19 108.79 2jsp n GLY 28 Ca 0.00 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 1.07 3.34 -0.02 0.00 -1.26 -4.37 105.19 103.94 2jsp n GLY 29 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 3.72 -0.02 1.61 0.01 -1.26 -1.18 113.70 116.23 2jsp s SER 30 Ca 0.59 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.48 2jsp s SER 30 Cb -0.46 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.37 2jsp s SER 30 CO 0.60 0.19 1.02 2.22 0.41 0.00 0.00 173.24 177.67 2jsp n PHE 31 N 3.36 0.00 0.00 2.43 1.16 -1.03 -4.88 117.46 118.50 2jsp n PHE 31 Ca -0.18 -0.12 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 2jsp n PHE 31 Cb 0.53 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 -0.17 0.00 -3.53 3.97 5.02 -1.25 -4.74 118.16 117.46 2jsp n LYS 32 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 2jsp n LYS 32 Cb 0.69 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.65 2jsp n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jsp s SER 33 N 0.00 6.04 0.21 4.39 0.15 -1.26 -1.14 113.70 122.08 2jsp s SER 33 Ca 0.00 -2.94 -0.09 0.00 0.70 0.00 0.00 55.95 53.62 2jsp s SER 33 Cb 0.00 -2.02 0.24 0.00 -1.71 0.00 0.00 66.02 62.53 2jsp s SER 33 CO 0.00 -0.42 1.81 0.25 1.20 0.00 0.00 173.24 176.08 2jsp h LEU 34 N 7.18 0.57 -0.92 3.45 7.12 -1.29 -3.01 115.31 128.40 2jsp h LEU 34 Ca 0.07 0.03 0.25 0.00 0.13 0.00 0.00 57.88 58.36 2jsp h LEU 34 Cb 0.97 -0.08 -0.14 0.00 -0.53 0.00 0.00 40.66 40.88 2jsp h LEU 34 CO 0.76 0.37 0.38 0.07 -0.13 0.00 0.00 178.44 179.88 2jsp h LYS 35 N 0.70 0.30 0.00 1.25 2.10 -1.25 0.23 116.57 119.90 2jsp h LYS 35 Ca 0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2jsp h LYS 35 Cb 0.18 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2jsp h LYS 35 CO -0.18 0.20 0.00 -2.13 -2.00 0.00 0.00 179.45 175.34 2jsp n ARG 36 N -5.11 0.00 -0.31 0.07 0.63 -1.14 -2.07 116.66 108.73 2jsp n ARG 36 Ca 0.24 0.49 0.15 0.00 -0.92 0.00 0.00 57.85 57.81 2jsp n ARG 36 Cb 0.75 -1.31 0.31 0.00 0.45 0.00 0.00 32.46 32.66 2jsp n ARG 36 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2jsp h HIS 37 N 0.00 0.32 0.00 -0.14 2.76 -1.56 0.23 115.15 116.76 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 0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2jsp h HIS 37 CO 0.14 -0.27 0.00 -0.11 -1.30 0.00 0.00 177.93 176.40 2jsp n LEU 38 N -5.27 0.00 0.02 0.26 -0.00 0.78 0.16 117.00 112.95 2jsp n LEU 38 Ca 0.23 0.86 0.17 0.00 -0.00 0.00 0.00 56.01 57.27 2jsp n LEU 38 Cb 0.74 -0.36 0.65 0.00 -0.00 0.00 0.00 43.42 44.44 2jsp n LEU 38 CO 0.04 -0.36 1.17 0.74 -0.00 0.00 0.00 177.39 178.97 2jsp h THR 39 N 0.00 0.80 0.50 1.96 2.02 -0.81 0.75 112.91 118.13 2jsp h THR 39 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2jsp h THR 39 Cb 0.00 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2jsp h THR 39 CO 0.00 0.01 -0.24 0.74 0.37 0.00 0.00 175.52 176.40 2jsp h THR 40 N 0.07 0.00 0.00 3.16 2.02 -0.73 -3.30 112.91 114.14 2jsp h THR 40 Ca 0.22 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2jsp h THR 40 Cb 0.78 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2jsp h THR 40 CO -0.02 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.28 2jsp n HIS 41 N -4.70 0.00 0.29 3.16 8.25 0.12 -4.40 115.22 117.94 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 -0.06 0.91 0.00 1.12 0.00 0.00 29.99 32.22 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 -1.57 4.41 -0.00 -1.62 -3.49 115.15 112.88 2jsp h HIS 42 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 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 -0.02 0.43 -0.00 0.00 0.00 177.93 178.34 2jsp n SER 43 N -3.19 -4.67 -0.85 2.45 7.64 0.26 -4.92 113.62 110.33 2jsp n SER 43 Ca -0.01 0.07 0.11 0.00 1.01 0.00 0.00 58.87 60.05 2jsp n SER 43 Cb 0.32 -0.20 -0.05 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 -1.64 -1.92 -2.02 1.43 2.81 -1.26 -3.83 117.12 110.70 2jsp n MET 44 Ca 0.00 1.51 -0.39 0.00 -1.81 0.00 0.00 57.70 57.02 2jsp n MET 44 Cb 0.03 -2.26 0.01 0.00 -0.71 0.00 0.00 33.22 30.29 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 -3.31 2.56 0.17 2.03 -4.23 -1.26 -3.62 115.64 107.97 2jsp s THR 45 Ca 0.00 0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 60.82 2jsp s THR 45 Cb 0.00 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.65 2jsp s THR 45 CO 0.00 0.03 1.74 1.55 -0.54 0.00 0.00 174.62 177.40 2jsp h PRO 46 N 2.16 0.27 -0.54 3.99 0.13 -1.89 -1.54 132.00 134.58 2jsp h PRO 46 Ca -0.50 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2jsp h PRO 46 Cb 1.26 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2jsp h PRO 46 CO 0.60 0.18 0.36 0.93 -0.23 0.00 0.00 178.00 179.84 2jsp h GLU 47 N 0.28 0.69 -0.88 0.86 3.07 -1.93 -2.00 114.58 114.66 2jsp h GLU 47 Ca 0.20 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2jsp h GLU 47 Cb 0.20 -0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 2jsp h GLU 47 CO -0.22 0.45 0.54 1.49 -1.40 0.00 0.00 179.01 179.87 2jsp h GLU 48 N 0.71 1.19 -0.14 2.33 4.81 -1.66 -2.25 114.58 119.57 2jsp h GLU 48 Ca 0.20 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2jsp h GLU 48 Cb -0.05 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 2jsp h GLU 48 CO -0.05 0.83 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.11 2jsp h TYR 49 N 1.21 0.21 -0.18 0.92 3.20 -1.11 -1.57 116.97 119.65 2jsp h TYR 49 Ca 0.32 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jsp h TYR 49 Cb -0.06 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2jsp h TYR 49 CO -0.00 0.25 0.09 0.07 -1.64 0.00 0.00 178.16 176.92 2jsp h ARG 50 N 0.20 0.24 -0.70 1.82 -0.00 -1.25 -1.96 114.38 112.73 2jsp h ARG 50 Ca 0.05 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.98 59.94 2jsp h ARG 50 Cb 0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.08 2jsp h ARG 50 CO 0.01 0.18 0.16 0.93 -0.00 0.00 0.00 179.97 181.25 2jsp h GLU 51 N 0.24 1.12 0.42 0.08 5.08 -1.33 0.20 114.58 120.40 2jsp h GLU 51 Ca 0.06 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2jsp h GLU 51 Cb 0.02 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2jsp h GLU 51 CO -0.01 1.00 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.28 2jsp h LYS 52 N 1.06 -0.90 0.00 2.33 1.63 -1.37 -1.06 116.57 118.26 2jsp h LYS 52 Ca 0.22 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2jsp h LYS 52 Cb 0.39 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jsp h LYS 52 CO 0.00 -0.60 0.00 0.91 -3.45 0.00 0.00 179.45 176.32 2jsp n TRP 53 N -5.42 0.00 -3.90 1.91 7.02 -1.09 -4.89 117.44 111.08 2jsp n TRP 53 Ca -0.11 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.04 2jsp n TRP 53 Cb 0.44 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.26 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 -0.75 -1.19 -4.59 -0.99 5.68 -0.13 -4.86 116.55 109.71 2jsp n ASP 54 Ca 0.10 -0.98 -0.43 0.00 -0.50 0.00 0.00 54.79 52.98 2jsp n ASP 54 Cb 0.05 -1.25 -0.02 0.00 -1.14 0.00 0.00 41.12 38.75 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 -5.96 3.53 0.52 -2.12 2.96 0.52 -4.95 118.68 113.19 2jsp s LEU 55 Ca 0.58 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.82 2jsp s LEU 55 Cb -0.34 -3.38 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2jsp s LEU 55 CO 0.81 -1.47 1.09 -0.81 -1.32 0.00 0.00 176.35 174.64 2jsp n PRO 56 N 8.21 1.29 -1.16 0.98 -0.04 -1.26 -2.51 135.00 140.51 2jsp n PRO 56 Ca 0.14 0.48 -0.09 0.00 -0.04 0.00 0.00 63.50 63.98 2jsp n PRO 56 Cb 0.49 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 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 -1.09 0.00 -3.54 0.52 3.14 -1.26 -3.53 118.33 112.56 2jsp n VAL 57 Ca 0.11 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.31 2jsp n VAL 57 Cb 0.44 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 -0.36 -5.80 -4.37 6.55 5.75 -1.05 -4.88 116.55 112.39 2jsp n ASP 58 Ca -0.09 -0.62 -0.44 0.00 -0.01 0.00 0.00 54.79 53.63 2jsp n ASP 58 Cb 0.44 -2.78 -0.01 0.00 -1.03 0.00 0.00 41.12 37.74 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 -2.15 -1.15 -1.73 2.11 4.11 -1.23 -4.83 117.16 112.29 2jsp n TYR 59 Ca -0.20 0.72 -0.42 0.00 -0.00 0.00 0.00 57.90 57.99 2jsp n TYR 59 Cb 0.63 -1.90 -0.02 0.00 -0.00 0.00 0.00 39.34 38.06 2jsp n TYR 59 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2jsp n PRO 60 N 1.05 2.65 -1.04 -3.48 -0.04 -1.26 -4.89 135.00 127.99 2jsp n PRO 60 Ca 0.13 0.95 -0.19 0.00 -0.04 0.00 0.00 63.50 64.35 2jsp n PRO 60 Cb 0.35 -2.74 0.16 0.00 -0.04 0.00 0.00 33.50 31.23 2jsp n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jsp n MET 61 N 2.85 2.17 -4.32 0.54 2.81 -1.26 -4.89 117.12 115.03 2jsp n MET 61 Ca 0.12 -2.57 -0.18 0.00 -1.81 0.00 0.00 57.70 53.25 2jsp n MET 61 Cb 0.35 -2.01 -0.09 0.00 -0.71 0.00 0.00 33.22 30.76 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 -2.80 0.25 0.21 2.03 1.01 -1.26 -0.67 120.40 119.17 2jsp s VAL 62 Ca 0.49 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 2jsp s VAL 62 Cb 0.41 -2.50 -0.16 0.00 0.00 0.00 0.00 36.38 34.12 2jsp s VAL 62 CO 0.10 0.00 0.79 0.00 0.00 0.00 0.00 175.10 175.98 2jsp n ALA 63 N -0.56 -1.84 -0.26 5.51 0.00 -0.30 -4.75 120.51 118.31 2jsp n ALA 63 Ca 0.02 0.44 0.29 0.00 0.00 0.00 0.00 53.44 54.18 2jsp n ALA 63 Cb 0.65 -1.80 0.67 0.00 0.00 0.00 0.00 19.45 18.96 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 1.72 0.12 -0.05 0.00 0.13 -1.87 0.20 132.00 132.26 2jsp h PRO 64 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jsp h PRO 64 Cb 1.40 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2jsp h PRO 64 CO 0.60 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2jsp n ALA 65 N -2.66 2.30 -1.00 -0.56 0.00 -1.26 -4.51 120.51 112.81 2jsp n ALA 65 Ca 0.22 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.48 2jsp n ALA 65 Cb 1.01 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.03 0.00 -1.86 0.00 9.36 0.06 -1.27 117.16 122.42 2jsp n TYR 66 Ca 0.13 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.93 2jsp n TYR 66 Cb 0.58 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.28 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 -3.00 4.87 -4.15 2.98 0.00 -1.26 -4.50 120.51 115.44 2jsp n ALA 67 Ca 0.00 -3.80 -0.33 0.00 0.00 0.00 0.00 53.44 49.30 2jsp n ALA 67 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 19.45 15.86 2jsp n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jsp n GLU 68 N 6.69 -3.17 -2.88 0.00 1.02 -0.99 -0.82 120.64 120.49 2jsp n GLU 68 Ca 0.51 0.37 -0.15 0.00 -0.02 0.00 0.00 57.16 57.88 2jsp n GLU 68 Cb 0.41 -4.90 -0.01 0.00 -0.02 0.00 0.00 31.44 26.92 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsp n ALA 69 N -4.41 -0.95 -2.33 0.62 0.00 -0.39 -4.92 120.51 108.12 2jsp n ALA 69 Ca -0.04 0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2jsp n ALA 69 Cb 0.55 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.13 3.34 -4.21 0.00 1.74 0.00 -4.95 116.66 109.45 2jsp n ARG 70 Ca -0.05 -4.31 -0.31 0.00 -0.77 0.00 0.00 57.85 52.40 2jsp n ARG 70 Cb 0.55 -2.26 -0.07 0.00 -1.02 0.00 0.00 32.46 29.67 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 -0.52 -0.13 -2.13 0.55 7.64 -1.26 -0.13 113.62 117.64 2jsp n SER 71 Ca 0.42 -1.16 -0.20 0.00 1.01 0.00 0.00 58.87 58.94 2jsp n SER 71 Cb 0.63 -2.18 -0.03 0.00 -1.01 0.00 0.00 64.21 61.61 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 -4.46 -1.66 0.00 1.43 0.63 -1.26 -3.79 116.66 107.56 2jsp n ARG 72 Ca -0.24 1.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2jsp n ARG 72 Cb 0.65 -5.58 0.00 0.00 0.45 0.00 0.00 32.46 27.98 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 -2.76 0.00 -4.44 6.15 7.94 0.82 -4.46 117.00 120.26 2jsp n LEU 73 Ca -0.22 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.24 2jsp n LEU 73 Cb 0.67 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.59 2jsp n LEU 73 CO 0.28 0.00 0.96 0.00 -1.11 0.00 0.00 177.39 177.52 2jsp s ALA 74 N -1.00 3.53 -0.34 1.96 0.00 -1.26 -4.92 121.76 119.72 2jsp s ALA 74 Ca 0.00 -2.90 -0.25 0.00 0.00 0.00 0.00 51.96 48.81 2jsp s ALA 74 Cb 0.00 -4.00 -0.26 0.00 0.00 0.00 0.00 23.12 18.86 2jsp s ALA 74 CO 0.00 -2.88 1.72 0.36 0.00 0.00 0.00 175.76 174.96 2jsp n LYS 75 N 6.13 0.68 -0.47 0.00 0.00 -1.25 -4.79 118.16 118.46 2jsp n LYS 75 Ca 0.24 -1.33 -0.03 0.00 -0.00 0.00 0.00 58.31 57.19 2jsp n LYS 75 Cb 0.48 -2.64 -0.05 0.00 -0.00 0.00 0.00 35.03 32.82 2jsp n LYS 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jsp n GLU 76 N 7.33 0.95 -2.09 -1.58 4.07 -1.26 -4.68 120.64 123.38 2jsp n GLU 76 Ca 0.46 -0.28 -0.12 0.00 -0.06 0.00 0.00 57.16 57.16 2jsp n GLU 76 Cb 0.39 -1.44 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 2jsp n GLU 76 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 2jsp n MET 77 N 2.08 -1.94 -2.59 5.31 1.56 -1.26 -0.71 117.12 119.56 2jsp n MET 77 Ca 0.12 0.61 -0.17 0.00 -0.27 0.00 0.00 57.70 57.99 2jsp n MET 77 Cb 0.45 -5.09 0.01 0.00 2.15 0.00 0.00 33.22 30.75 2jsp n MET 77 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2jsp n GLY 78 N -0.61 -0.30 3.77 -5.12 0.00 -1.26 -4.52 105.19 97.15 2jsp n GLY 78 Ca -0.13 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2jsp n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsp s LEU 79 N -5.11 4.36 -1.43 0.99 2.01 0.11 -4.88 118.68 114.72 2jsp s LEU 79 Ca 0.12 2.75 -0.13 0.00 0.01 0.00 0.00 54.13 56.89 2jsp s LEU 79 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 46.19 42.41 2jsp s LEU 79 CO 0.15 -0.68 2.47 0.61 1.01 0.00 0.00 176.35 179.91 2jsp n GLY 80 N 0.70 4.12 3.16 -3.19 0.00 -1.26 -4.87 105.19 103.86 2jsp n GLY 80 Ca 0.01 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 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 2.98 2.53 -0.29 1.61 2.00 -1.26 -4.26 119.66 122.97 2jsp s GLN 81 Ca 0.56 -2.13 0.05 0.00 -2.00 0.00 0.00 55.36 51.85 2jsp s GLN 81 Cb 0.15 -3.84 0.20 0.00 0.80 0.00 0.00 33.01 30.32 2jsp s GLN 81 CO -0.06 -1.17 0.59 0.50 -0.50 0.00 0.00 175.29 174.64 2jsp s ARG 82 N 0.68 0.56 -0.07 1.67 3.52 -1.26 -4.98 118.95 119.07 2jsp s ARG 82 Ca 0.12 0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 56.23 2jsp s ARG 82 Cb -0.22 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 2jsp s ARG 82 CO -0.03 -1.01 0.11 0.54 -0.81 0.00 0.00 175.30 174.10 2jsp n ARG 83 N 5.42 -0.48 -3.80 5.12 1.74 -1.26 0.27 116.66 123.66 2jsp n ARG 83 Ca 0.04 0.75 -0.24 0.00 -0.77 0.00 0.00 57.85 57.63 2jsp n ARG 83 Cb 0.54 -0.98 0.02 0.00 -1.02 0.00 0.00 32.46 31.01 2jsp n ARG 83 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jsp n LYS 84 N 0.91 -4.74 -3.03 5.56 4.81 -1.26 -3.94 118.16 116.48 2jsp n LYS 84 Ca -0.01 0.57 -0.13 0.00 -0.87 0.00 0.00 58.31 57.86 2jsp n LYS 84 Cb 0.45 -5.14 0.01 0.00 0.02 0.00 0.00 35.03 30.38 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jsp n ALA 85 N -4.39 -2.81 -1.26 3.14 0.00 -1.08 -4.89 120.51 109.21 2jsp n ALA 85 Ca -0.22 0.68 0.17 0.00 0.00 0.00 0.00 53.44 54.08 2jsp n ALA 85 Cb 0.64 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 2jsp n ALA 85 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jsp n ASN 86 N 0.14 -7.43 0.00 0.00 0.23 0.14 -4.96 115.26 103.38 2jsp n ASN 86 Ca 0.03 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.64 2jsp n ASN 86 Cb 0.43 -3.92 0.00 0.00 -2.08 0.00 0.00 39.78 34.20 2jsp n ASN 86 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22