#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 4.28 -3.72 0.00 0.24 -1.26 -4.86 118.33 113.01 2jsp n VAL 2 Ca 0.00 -4.42 -0.04 0.00 -2.04 0.00 0.00 64.34 57.84 2jsp n VAL 2 Cb 0.00 -2.39 -0.01 0.00 -1.47 0.00 0.00 33.84 29.96 2jsp n VAL 2 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jsp s ASN 3 N 1.52 -0.21 0.00 -1.34 4.22 -1.26 -4.72 114.94 113.15 2jsp s ASN 3 Ca 0.41 -0.35 0.00 0.00 -2.14 0.00 0.00 52.86 50.78 2jsp s ASN 3 Cb 0.07 0.48 0.00 0.00 1.28 0.00 0.00 41.25 43.08 2jsp s ASN 3 CO 0.00 -0.88 0.00 1.33 -2.04 0.00 0.00 177.10 175.51 2jsp n VAL 4 N -0.44 0.00 -2.98 3.54 0.24 -1.26 -4.09 118.33 113.34 2jsp n VAL 4 Ca -0.07 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.95 2jsp n VAL 4 Cb 0.61 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 2jsp n VAL 4 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2jsp n GLU 5 N 0.00 3.36 0.00 7.34 0.28 -1.26 -4.67 120.64 125.68 2jsp n GLU 5 Ca 0.00 -4.82 0.00 0.00 -0.16 0.00 0.00 57.16 52.18 2jsp n GLU 5 Cb 0.00 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.60 2jsp n GLU 5 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jsp n LYS 6 N -0.06 0.00 -0.14 3.44 5.02 -1.25 -4.95 118.16 120.21 2jsp n LYS 6 Ca 0.32 0.00 0.27 0.00 -2.02 0.00 0.00 58.31 56.88 2jsp n LYS 6 Cb 0.38 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.94 2jsp n LYS 6 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2jsp h GLN 7 N 0.00 0.00 -6.56 1.97 -0.00 -1.78 -2.65 115.11 106.09 2jsp h GLN 7 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.06 2jsp h GLN 7 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 27.48 27.58 2jsp h GLN 7 CO 0.00 0.00 0.39 0.36 -0.00 0.00 0.00 178.83 179.58 2jsp n LYS 8 N -3.42 1.74 -1.97 0.06 2.85 -1.26 -4.53 118.16 111.62 2jsp n LYS 8 Ca 0.19 0.61 -0.35 0.00 -1.05 0.00 0.00 58.31 57.72 2jsp n LYS 8 Cb 1.27 -2.14 0.03 0.00 -0.65 0.00 0.00 35.03 33.54 2jsp n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2jsp s PRO 9 N -1.16 2.98 -0.73 -1.58 0.04 -1.26 -2.74 135.00 130.56 2jsp s PRO 9 Ca 0.62 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 2jsp s PRO 9 Cb -0.67 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 31.80 2jsp s PRO 9 CO 0.57 -1.15 3.16 0.00 0.04 0.00 0.00 177.00 179.61 2jsp n ALA 10 N -1.83 6.82 -0.32 8.56 0.00 -1.26 -4.77 120.51 127.71 2jsp n ALA 10 Ca 0.12 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.76 2jsp n ALA 10 Cb 0.51 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 2.51 0.00 -2.93 0.00 0.24 -1.26 -4.54 118.33 112.35 2jsp n VAL 11 Ca 0.57 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.47 2jsp n VAL 11 Cb 0.57 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.90 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 7.13 0.00 -1.34 0.15 -1.26 -5.03 113.70 109.35 2jsp s SER 12 Ca 0.00 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2jsp s SER 12 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2jsp s SER 12 CO 0.00 -0.15 0.00 0.55 1.20 0.00 0.00 173.24 174.84 2jsp n VAL 13 N 3.75 0.00 0.00 4.45 3.14 -1.26 -4.32 118.33 124.08 2jsp n VAL 13 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2jsp n VAL 13 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 -0.08 0.00 -1.47 1.45 0.63 -1.26 -0.46 116.66 115.47 2jsp n ARG 14 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 2jsp n ARG 14 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 2jsp n ARG 14 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2jsp n LYS 15 N 0.00 2.65 -0.28 -0.14 2.85 -1.26 -4.66 118.16 117.33 2jsp n LYS 15 Ca 0.00 -3.24 0.21 0.00 -1.05 0.00 0.00 58.31 54.23 2jsp n LYS 15 Cb 0.00 -2.25 0.52 0.00 -0.65 0.00 0.00 35.03 32.65 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2jsp h SER 16 N 2.27 0.40 -3.40 -5.58 0.02 -1.06 -3.33 113.55 102.87 2jsp h SER 16 Ca 0.58 0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 60.99 2jsp h SER 16 Cb 0.60 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 2jsp h SER 16 CO 1.50 0.13 0.64 -0.69 -1.14 0.00 0.00 176.83 177.27 2jsp s VAL 17 N -5.43 4.62 0.00 2.27 1.01 -1.26 -3.23 120.40 118.38 2jsp s VAL 17 Ca -0.08 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2jsp s VAL 17 Cb 0.24 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2jsp s VAL 17 CO 0.79 -0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.46 2jsp n GLN 18 N 6.64 3.02 -1.58 2.72 6.02 -0.30 -5.02 117.38 128.88 2jsp n GLN 18 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.94 2jsp n GLN 18 Cb 0.48 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.66 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 0.00 3.77 -1.54 1.08 1.11 -1.26 -3.12 116.67 116.71 2jsp s ASP 19 Ca 0.00 -0.17 -0.04 0.00 0.18 0.00 0.00 52.55 52.52 2jsp s ASP 19 Cb 0.00 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.47 2jsp s ASP 19 CO 0.00 -4.10 0.29 -0.67 1.18 0.00 0.00 175.17 171.87 2jsp n ASP 20 N 18.97 -0.18 -3.64 0.27 2.03 -1.26 -4.95 116.55 127.79 2jsp n ASP 20 Ca 0.46 -1.15 -0.14 0.00 0.52 0.00 0.00 54.79 54.48 2jsp n ASP 20 Cb 0.44 -2.27 -0.07 0.00 -0.72 0.00 0.00 41.12 38.49 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 -4.02 -0.70 -0.21 -0.67 -3.43 -1.18 -4.65 115.29 100.42 2jsp s HIS 21 Ca 0.14 1.64 -0.02 0.00 -0.80 0.00 0.00 55.06 56.03 2jsp s HIS 21 Cb -0.08 0.26 0.01 0.00 -1.43 0.00 0.00 32.58 31.34 2jsp s HIS 21 CO 0.95 -0.38 -0.10 -1.50 -2.00 0.00 0.00 174.74 171.71 2jsp s ILE 22 N 0.13 2.81 -0.17 -5.38 -1.16 -1.26 -1.15 121.20 115.02 2jsp s ILE 22 Ca -0.02 -0.77 -0.29 0.00 -0.51 0.00 0.00 60.65 59.06 2jsp s ILE 22 Cb -0.04 -2.29 -0.02 0.00 0.61 0.00 0.00 42.46 40.72 2jsp s ILE 22 CO 0.02 0.41 1.43 0.54 -2.81 0.00 0.00 174.94 174.54 2jsp s VAL 23 N 1.38 3.97 -0.14 4.00 0.11 -1.20 -3.31 120.40 125.22 2jsp s VAL 23 Ca 0.04 1.15 -0.29 0.00 -2.93 0.00 0.00 61.98 59.95 2jsp s VAL 23 Cb -0.14 -3.83 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 2jsp s VAL 23 CO -0.07 -0.20 1.43 0.00 -3.33 0.00 0.00 175.10 172.93 2jsp s LEU 25 N 3.86 4.38 -0.49 0.00 1.02 -1.26 0.35 118.68 126.54 2jsp s LEU 25 Ca 0.63 2.72 0.00 0.00 0.02 0.00 0.00 54.13 57.50 2jsp s LEU 25 Cb -0.26 -3.69 0.00 0.00 0.02 0.00 0.00 46.19 42.26 2jsp s LEU 25 CO 0.21 -0.62 0.00 1.21 0.02 0.00 0.00 176.35 177.17 2jsp n GLU 26 N 0.65 -1.75 0.07 1.70 2.13 -1.25 -4.61 120.64 117.58 2jsp n GLU 26 Ca 0.01 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2jsp n GLU 26 Cb 0.42 -5.02 0.00 0.00 0.27 0.00 0.00 31.44 27.11 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 2.25 3.07 3.65 0.00 0.00 0.16 -3.85 105.19 110.46 2jsp n GLY 28 Ca 0.00 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.16 3.28 -0.02 0.00 -1.26 -4.19 105.19 102.84 2jsp n GLY 29 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.61 2.64 0.00 1.61 0.15 -1.26 -0.77 113.70 114.47 2jsp s SER 30 Ca 0.76 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2jsp s SER 30 Cb -0.35 -0.20 0.08 0.00 -1.71 0.00 0.00 66.02 63.84 2jsp s SER 30 CO 0.48 0.15 0.88 2.22 1.20 0.00 0.00 173.24 178.17 2jsp n PHE 31 N 1.59 0.00 0.00 3.44 1.16 -1.21 -4.94 117.46 117.49 2jsp n PHE 31 Ca -0.18 -0.19 0.00 0.00 -1.87 0.00 0.00 57.45 55.21 2jsp n PHE 31 Cb 0.53 0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.53 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 0.10 0.00 -3.54 3.97 4.01 -1.26 -4.72 118.16 116.72 2jsp n LYS 32 Ca -0.04 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.35 2jsp n LYS 32 Cb 0.73 -0.11 -0.07 0.00 -0.51 0.00 0.00 35.03 35.07 2jsp n LYS 32 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2jsp s SER 33 N 0.00 5.85 0.20 4.39 0.15 -1.26 -0.64 113.70 122.39 2jsp s SER 33 Ca 0.00 -2.47 -0.07 0.00 0.70 0.00 0.00 55.95 54.11 2jsp s SER 33 Cb 0.00 -2.02 0.12 0.00 -1.71 0.00 0.00 66.02 62.42 2jsp s SER 33 CO 0.00 -0.55 1.65 0.25 1.20 0.00 0.00 173.24 175.79 2jsp h LEU 34 N 7.76 0.97 -0.98 3.45 6.46 -1.58 -3.34 115.31 128.05 2jsp h LEU 34 Ca -0.05 -0.29 0.11 0.00 -0.12 0.00 0.00 57.88 57.53 2jsp h LEU 34 Cb 1.02 -0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 40.56 2jsp h LEU 34 CO 0.78 1.06 -0.51 1.17 -0.62 0.00 0.00 178.44 180.32 2jsp n LYS 35 N -4.16 -0.36 0.17 1.25 0.00 -0.29 0.24 118.16 115.00 2jsp n LYS 35 Ca 0.02 1.49 -0.08 0.00 0.00 0.00 0.00 58.31 59.73 2jsp n LYS 35 Cb 0.37 -2.19 -0.04 0.00 0.00 0.00 0.00 35.03 33.16 2jsp n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jsp h ARG 36 N 0.00 -0.48 -0.79 1.64 3.08 -1.89 -0.39 114.38 115.55 2jsp h ARG 36 Ca 0.22 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.48 2jsp h ARG 36 Cb 0.46 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 30.48 2jsp h ARG 36 CO -0.94 -0.32 -0.01 1.25 -1.07 0.00 0.00 179.97 178.88 2jsp h HIS 37 N -0.50 -0.09 0.00 3.04 2.76 -1.61 0.17 115.15 118.94 2jsp h HIS 37 Ca -0.04 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2jsp h HIS 37 Cb 0.41 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2jsp h HIS 37 CO -0.04 -0.27 0.00 -0.11 -1.30 0.00 0.00 177.93 176.21 2jsp n LEU 38 N -5.38 0.00 -0.06 0.26 -0.00 0.14 -0.20 117.00 111.76 2jsp n LEU 38 Ca 0.14 1.00 0.15 0.00 -0.00 0.00 0.00 56.01 57.30 2jsp n LEU 38 Cb 0.50 -0.50 0.56 0.00 -0.00 0.00 0.00 43.42 43.98 2jsp n LEU 38 CO 0.03 -0.50 1.19 0.74 -0.00 0.00 0.00 177.39 178.85 2jsp h THR 39 N 0.00 0.83 0.28 1.96 2.02 -0.65 0.70 112.91 118.06 2jsp h THR 39 Ca 0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2jsp h THR 39 Cb 0.00 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2jsp h THR 39 CO 0.00 0.05 -0.14 0.74 0.37 0.00 0.00 175.52 176.55 2jsp h THR 40 N 0.28 0.00 0.00 3.16 2.02 -0.51 -3.28 112.91 114.58 2jsp h THR 40 Ca 0.28 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2jsp h THR 40 Cb 0.72 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2jsp h THR 40 CO -0.06 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.24 2jsp n HIS 41 N -3.39 0.00 0.32 3.16 8.25 0.73 -4.26 115.22 120.02 2jsp n HIS 41 Ca -0.05 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.58 2jsp n HIS 41 Cb 0.15 -0.02 0.89 0.00 1.12 0.00 0.00 29.99 32.14 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 -1.78 4.41 -0.00 -1.61 -3.49 115.15 112.69 2jsp h HIS 42 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2jsp h HIS 42 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2jsp h HIS 42 CO 0.00 0.00 -0.11 0.43 -0.00 0.00 0.00 177.93 178.25 2jsp n SER 43 N -2.86 -5.11 -0.71 2.45 7.64 0.24 -4.92 113.62 110.36 2jsp n SER 43 Ca -0.02 0.32 0.09 0.00 1.01 0.00 0.00 58.87 60.27 2jsp n SER 43 Cb 0.28 -0.91 -0.04 0.00 -1.01 0.00 0.00 64.21 62.53 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 -1.60 -2.38 1.43 2.81 -1.26 -3.74 117.12 110.33 2jsp n MET 44 Ca 0.00 1.27 -0.37 0.00 -1.81 0.00 0.00 57.70 56.79 2jsp n MET 44 Cb 0.14 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 30.74 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 -3.23 3.37 0.14 2.03 -4.23 -1.26 -3.59 115.64 108.86 2jsp s THR 45 Ca 0.00 1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 61.32 2jsp s THR 45 Cb 0.00 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.33 2jsp s THR 45 CO 0.00 -0.03 1.68 1.55 -0.54 0.00 0.00 174.62 177.28 2jsp h PRO 46 N 2.14 -0.08 -0.70 3.99 0.13 -1.90 -1.81 132.00 133.77 2jsp h PRO 46 Ca -0.49 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jsp h PRO 46 Cb 1.23 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2jsp h PRO 46 CO 0.61 -0.06 0.42 0.93 -0.23 0.00 0.00 178.00 179.67 2jsp h GLU 47 N -0.09 0.95 -0.85 0.86 3.07 -1.92 -2.35 114.58 114.26 2jsp h GLU 47 Ca 0.11 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2jsp h GLU 47 Cb 0.26 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2jsp h GLU 47 CO -0.26 0.67 0.40 1.49 -1.40 0.00 0.00 179.01 179.90 2jsp h GLU 48 N 0.97 1.23 -0.20 2.33 4.57 -1.75 -2.08 114.58 119.63 2jsp h GLU 48 Ca 0.25 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2jsp h GLU 48 Cb -0.03 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 2jsp h GLU 48 CO -0.05 0.95 0.05 -0.92 -1.18 0.00 0.00 179.01 177.86 2jsp h TYR 49 N 1.21 0.28 -0.90 0.92 3.20 -0.83 -1.47 116.97 119.38 2jsp h TYR 49 Ca 0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 2jsp h TYR 49 Cb 0.13 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 2jsp h TYR 49 CO 0.02 0.25 0.59 0.07 -1.64 0.00 0.00 178.16 177.45 2jsp h ARG 50 N 0.29 1.02 -0.65 1.82 -0.00 -1.06 -2.35 114.38 113.45 2jsp h ARG 50 Ca 0.07 -0.06 -0.07 0.00 -0.00 0.00 0.00 59.98 59.92 2jsp h ARG 50 Cb 0.11 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.97 29.82 2jsp h ARG 50 CO -0.00 0.67 0.13 1.49 -0.00 0.00 0.00 179.97 182.26 2jsp h GLU 51 N 1.05 1.04 -0.55 0.08 4.81 -1.26 0.19 114.58 119.94 2jsp h GLU 51 Ca 0.38 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2jsp h GLU 51 Cb 0.15 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 2jsp h GLU 51 CO -0.13 0.93 0.17 -0.22 -0.73 0.00 0.00 179.01 179.03 2jsp h LYS 52 N 0.98 0.32 -0.59 1.92 1.63 -1.33 -1.12 116.57 118.37 2jsp h LYS 52 Ca 0.20 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2jsp h LYS 52 Cb 0.38 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2jsp h LYS 52 CO 0.01 0.21 0.00 0.91 -3.45 0.00 0.00 179.45 177.13 2jsp n TRP 53 N -5.05 0.95 -2.58 1.91 7.02 -0.97 -4.93 117.44 113.79 2jsp n TRP 53 Ca 0.07 -0.42 -0.13 0.00 -1.02 0.00 0.00 57.50 56.00 2jsp n TRP 53 Cb 0.25 -0.09 -0.00 0.00 -2.42 0.00 0.00 31.31 29.05 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 1.02 -3.63 -4.63 -0.99 8.00 -0.20 -4.84 116.55 111.27 2jsp n ASP 54 Ca 0.20 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.41 2jsp n ASP 54 Cb 0.59 -3.09 -0.03 0.00 -0.02 0.00 0.00 41.12 38.57 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 -5.69 3.85 0.63 0.64 2.96 0.51 -4.92 118.68 116.66 2jsp s LEU 55 Ca 0.06 2.06 -0.18 0.00 -0.22 0.00 0.00 54.13 55.84 2jsp s LEU 55 Cb -0.03 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2jsp s LEU 55 CO 0.07 -1.52 1.11 -0.81 -1.32 0.00 0.00 176.35 173.88 2jsp n PRO 56 N 8.14 0.99 -1.97 0.98 -0.04 -1.26 -2.62 135.00 139.22 2jsp n PRO 56 Ca 0.24 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.97 2jsp n PRO 56 Cb 0.44 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 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 -1.83 -0.32 -3.54 0.52 3.14 -1.26 -2.02 118.33 113.03 2jsp n VAL 57 Ca 0.15 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.27 2jsp n VAL 57 Cb 0.48 -1.42 -0.01 0.00 -1.06 0.00 0.00 33.84 31.83 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 -1.16 -3.72 -1.64 6.55 5.68 -1.08 -4.78 116.55 116.40 2jsp n ASP 58 Ca -0.13 -0.51 -0.23 0.00 -0.50 0.00 0.00 54.79 53.41 2jsp n ASP 58 Cb 0.51 -3.07 -0.04 0.00 -1.14 0.00 0.00 41.12 37.39 2jsp n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jsp n TYR 59 N -4.05 0.59 -2.03 2.11 9.36 -0.86 -4.82 117.16 117.45 2jsp n TYR 59 Ca 0.01 0.38 -0.42 0.00 3.32 0.00 0.00 57.90 61.19 2jsp n TYR 59 Cb 0.53 -0.79 -0.03 0.00 -0.63 0.00 0.00 39.34 38.42 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 1.22 4.25 0.00 2.98 0.04 -1.26 -4.90 135.00 137.33 2jsp s PRO 60 Ca 0.38 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2jsp s PRO 60 Cb -0.53 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2jsp s PRO 60 CO 0.28 -0.55 1.47 -1.33 0.04 0.00 0.00 177.00 176.91 2jsp n MET 61 N 4.16 0.86 -3.94 4.56 2.81 -1.26 -4.77 117.12 119.54 2jsp n MET 61 Ca 0.13 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 2jsp n MET 61 Cb 0.40 -1.07 -0.11 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.23 0.08 0.35 2.03 1.01 -1.26 -1.14 120.40 121.71 2jsp s VAL 62 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 2jsp s VAL 62 Cb 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 36.38 36.00 2jsp s VAL 62 CO 0.00 -0.37 0.49 0.00 0.00 0.00 0.00 175.10 175.22 2jsp n ALA 63 N 1.90 -1.97 -0.33 5.51 0.00 0.19 -4.84 120.51 120.98 2jsp n ALA 63 Ca -0.21 0.24 0.20 0.00 0.00 0.00 0.00 53.44 53.66 2jsp n ALA 63 Cb 0.56 -1.70 0.39 0.00 0.00 0.00 0.00 19.45 18.70 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 0.88 0.07 0.00 0.00 0.13 -1.89 -0.31 132.00 130.87 2jsp h PRO 64 Ca -0.37 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2jsp h PRO 64 Cb 1.41 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.40 2jsp h PRO 64 CO 0.53 0.04 -0.65 0.00 -0.23 0.00 0.00 178.00 177.69 2jsp n ALA 65 N -2.74 3.14 -0.28 -0.56 0.00 -1.26 -4.33 120.51 114.48 2jsp n ALA 65 Ca 0.28 -2.91 0.07 0.00 0.00 0.00 0.00 53.44 50.87 2jsp n ALA 65 Cb 0.91 -0.48 0.22 0.00 0.00 0.00 0.00 19.45 20.10 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 0.93 0.66 -1.66 0.00 3.20 -1.38 -2.98 116.97 115.74 2jsp h TYR 66 Ca -0.07 0.04 -0.34 0.00 3.14 0.00 0.00 58.73 61.49 2jsp h TYR 66 Cb 1.30 -0.17 -0.27 0.00 1.54 0.00 0.00 36.73 39.13 2jsp h TYR 66 CO 0.52 0.11 -0.70 0.00 -1.64 0.00 0.00 178.16 176.45 2jsp s ALA 67 N -5.98 -0.55 -1.72 1.82 0.00 -1.26 -4.97 121.76 109.10 2jsp s ALA 67 Ca -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2jsp s ALA 67 Cb 0.22 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2jsp s ALA 67 CO 0.77 -2.13 0.00 0.39 0.00 0.00 0.00 175.76 174.80 2jsp n GLU 68 N 3.17 -1.39 -3.18 0.00 -0.58 -1.13 -2.84 120.64 114.71 2jsp n GLU 68 Ca 0.21 0.97 -0.15 0.00 -0.42 0.00 0.00 57.16 57.77 2jsp n GLU 68 Cb 0.51 -5.27 -0.02 0.00 -0.57 0.00 0.00 31.44 26.08 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jsp n ALA 69 N 0.90 -1.06 0.89 0.62 0.00 -1.26 -4.86 120.51 115.74 2jsp n ALA 69 Ca -0.16 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.23 2jsp n ALA 69 Cb 0.54 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.07 0.44 0.00 0.00 0.63 -1.13 -4.82 116.66 108.72 2jsp n ARG 70 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2jsp n ARG 70 Cb 0.49 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.33 2jsp n ARG 70 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jsp n SER 71 N -0.57 0.00 -0.67 6.15 7.64 -1.26 -4.55 113.62 120.37 2jsp n SER 71 Ca 0.02 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.95 2jsp n SER 71 Cb 0.01 -0.35 0.20 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.69 1.88 -0.27 1.43 3.00 -1.26 -4.83 116.66 115.91 2jsp n ARG 72 Ca 0.00 -2.95 -0.06 0.00 -0.00 0.00 0.00 57.85 54.84 2jsp n ARG 72 Cb 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 32.46 30.82 2jsp n ARG 72 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2jsp h LEU 73 N 0.90 0.95 -7.89 6.15 8.10 -1.87 -3.26 115.31 118.39 2jsp h LEU 73 Ca 0.06 -0.12 -0.71 0.00 0.11 0.00 0.00 57.88 57.22 2jsp h LEU 73 Cb 1.28 -0.24 -0.19 0.00 -0.44 0.00 0.00 40.66 41.07 2jsp h LEU 73 CO 0.16 0.80 0.88 0.00 -4.11 0.00 0.00 178.44 176.17 2jsp s ALA 74 N -5.76 3.62 0.00 0.17 0.00 -1.26 -4.90 121.76 113.63 2jsp s ALA 74 Ca -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 48.84 2jsp s ALA 74 Cb 0.15 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2jsp s ALA 74 CO 0.81 -2.85 0.47 0.36 0.00 0.00 0.00 175.76 174.55 2jsp n LYS 75 N 5.99 0.28 -2.77 0.00 -0.00 -1.23 -3.99 118.16 116.44 2jsp n LYS 75 Ca 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.51 2jsp n LYS 75 Cb 0.47 -1.36 0.02 0.00 -0.00 0.00 0.00 35.03 34.16 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 1.54 0.61 0.25 -1.58 2.13 -1.26 -5.00 120.64 117.33 2jsp n GLU 76 Ca 0.00 -1.97 0.07 0.00 0.66 0.00 0.00 57.16 55.92 2jsp n GLU 76 Cb 0.14 -1.47 0.60 0.00 0.27 0.00 0.00 31.44 30.98 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp h MET 77 N 4.69 0.00 -6.13 5.31 -0.00 -2.01 -3.43 114.93 113.37 2jsp h MET 77 Ca -0.00 -0.00 -0.68 0.00 -0.00 0.00 0.00 59.70 59.01 2jsp h MET 77 Cb 1.08 -0.00 -0.23 0.00 -0.00 0.00 0.00 31.60 32.45 2jsp h MET 77 CO 0.12 0.05 -0.76 0.20 -0.00 0.00 0.00 176.91 176.52 2jsp s GLY 78 N -4.10 1.56 0.17 -3.00 0.00 -1.26 -4.70 107.32 96.00 2jsp s GLY 78 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2jsp s GLY 78 CO 0.68 -0.66 0.06 1.08 0.00 0.00 0.00 173.10 174.26 2jsp s LEU 79 N -0.57 1.75 -1.08 0.66 1.02 -1.26 -5.08 118.68 114.12 2jsp s LEU 79 Ca 0.08 -1.26 -0.24 0.00 0.02 0.00 0.00 54.13 52.74 2jsp s LEU 79 Cb -0.11 0.16 -0.10 0.00 0.02 0.00 0.00 46.19 46.16 2jsp s LEU 79 CO 0.01 -0.70 1.99 -0.83 0.02 0.00 0.00 176.35 176.84 2jsp s GLY 80 N -3.15 -0.06 0.31 -3.19 0.00 -1.26 -4.93 107.32 95.05 2jsp s GLY 80 Ca 0.29 -1.82 0.09 0.00 0.00 0.00 0.00 44.72 43.28 2jsp s GLY 80 CO 0.06 3.68 0.07 1.62 0.00 0.00 0.00 173.10 178.53 2jsp s GLN 81 N 7.02 2.30 -1.28 2.90 -0.44 -1.26 -4.75 119.66 124.14 2jsp s GLN 81 Ca 0.72 -1.53 -0.04 0.00 -2.50 0.00 0.00 55.36 52.00 2jsp s GLN 81 Cb -0.04 -2.13 0.01 0.00 -1.64 0.00 0.00 33.01 29.21 2jsp s GLN 81 CO 0.10 0.20 1.09 -2.13 0.50 0.00 0.00 175.29 175.05 2jsp n ARG 82 N -1.03 -7.28 -3.22 1.67 3.00 -1.26 -5.00 116.66 103.54 2jsp n ARG 82 Ca -0.04 0.84 -0.02 0.00 -0.00 0.00 0.00 57.85 58.62 2jsp n ARG 82 Cb 0.61 -5.87 -0.03 0.00 0.00 0.00 0.00 32.46 27.17 2jsp n ARG 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2jsp s ARG 83 N -5.84 0.55 0.02 -0.14 3.52 -1.26 -4.97 118.95 110.83 2jsp s ARG 83 Ca 0.29 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2jsp s ARG 83 Cb -0.13 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 2jsp s ARG 83 CO 0.73 -1.07 0.00 1.17 -0.81 0.00 0.00 175.30 175.32 2jsp n LYS 84 N 5.21 0.00 -2.94 5.12 4.81 -1.26 -5.10 118.16 124.00 2jsp n LYS 84 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.37 2jsp n LYS 84 Cb 0.52 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.59 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 -2.76 -2.94 -2.03 3.14 0.00 -1.26 -5.06 120.51 109.59 2jsp n ALA 85 Ca 0.00 0.94 -0.25 0.00 0.00 0.00 0.00 53.44 54.13 2jsp n ALA 85 Cb 0.00 -3.13 0.04 0.00 0.00 0.00 0.00 19.45 16.37 2jsp n ALA 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsp s ASN 86 N -2.27 5.25 0.00 0.00 2.20 -1.26 -5.31 114.94 113.55 2jsp s ASN 86 Ca 0.23 0.39 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 2jsp s ASN 86 Cb -0.05 -1.26 0.00 0.00 -2.00 0.00 0.00 41.25 37.94 2jsp s ASN 86 CO 0.77 -1.24 0.33 -1.14 -2.94 0.00 0.00 177.10 172.87