#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 2.90 -0.42 0.00 0.11 -1.26 -4.56 120.40 117.18 2jsp s VAL 2 Ca 0.00 0.59 0.02 0.00 -2.93 0.00 0.00 61.98 59.66 2jsp s VAL 2 Cb 0.00 -3.38 0.13 0.00 -1.53 0.00 0.00 36.38 31.60 2jsp s VAL 2 CO 0.00 0.03 0.21 0.54 -3.33 0.00 0.00 175.10 172.55 2jsp s ASN 3 N 1.43 3.77 0.16 3.54 4.22 -1.26 -4.67 114.94 122.13 2jsp s ASN 3 Ca 0.69 -2.46 0.00 0.00 -2.14 0.00 0.00 52.86 48.95 2jsp s ASN 3 Cb -0.41 -1.05 0.00 0.00 1.28 0.00 0.00 41.25 41.07 2jsp s ASN 3 CO 0.31 -0.29 0.00 0.55 -2.04 0.00 0.00 177.10 175.63 2jsp n VAL 4 N 3.77 0.37 -2.96 3.54 3.14 -1.26 -5.00 118.33 119.92 2jsp n VAL 4 Ca 0.07 0.12 -0.18 0.00 -2.96 0.00 0.00 64.34 61.38 2jsp n VAL 4 Cb 0.36 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 32.33 2jsp n VAL 4 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2jsp n GLU 5 N -3.22 1.63 0.07 1.45 0.28 -1.26 -4.86 120.64 114.73 2jsp n GLU 5 Ca 0.00 -3.72 0.00 0.00 -0.16 0.00 0.00 57.16 53.28 2jsp n GLU 5 Cb 0.00 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.13 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 0.04 0.00 -0.57 3.44 5.02 -1.26 -5.19 118.16 119.64 2jsp n LYS 6 Ca 0.24 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 2jsp n LYS 6 Cb 0.65 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.64 2jsp n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jsp n GLN 7 N -3.07 -1.15 -3.38 1.97 10.64 -1.26 -4.90 117.38 116.23 2jsp n GLN 7 Ca 0.00 0.76 -0.16 0.00 -1.83 0.00 0.00 57.00 55.77 2jsp n GLN 7 Cb 0.00 -1.40 -0.09 0.00 -0.86 0.00 0.00 30.24 27.89 2jsp n GLN 7 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2jsp s LYS 8 N -1.34 0.37 -0.38 2.61 2.20 0.09 -4.88 119.74 118.40 2jsp s LYS 8 Ca 0.00 -0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 2jsp s LYS 8 Cb 0.00 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.70 2jsp s LYS 8 CO 0.00 -1.05 1.88 -1.25 -0.36 0.00 0.00 175.35 174.57 2jsp s PRO 9 N 2.32 3.12 -0.45 4.03 0.04 -1.26 -1.67 135.00 141.12 2jsp s PRO 9 Ca 0.10 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 2jsp s PRO 9 Cb -0.14 -4.27 -0.14 0.00 0.04 0.00 0.00 34.50 29.99 2jsp s PRO 9 CO -0.30 -2.12 2.62 0.00 0.04 0.00 0.00 177.00 177.25 2jsp n ALA 10 N 11.17 5.21 -0.89 8.56 0.00 -1.26 -4.92 120.51 138.38 2jsp n ALA 10 Ca 0.24 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.89 2jsp n ALA 10 Cb 0.48 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 3.15 0.00 -4.03 0.00 0.31 -1.26 -4.79 118.33 111.71 2jsp n VAL 11 Ca 0.41 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.40 2jsp n VAL 11 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 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 -4.00 5.95 0.00 4.52 0.15 -1.26 -5.06 113.70 113.99 2jsp s SER 12 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2jsp s SER 12 Cb 0.00 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2jsp s SER 12 CO 0.00 0.30 0.00 0.55 1.20 0.00 0.00 173.24 175.29 2jsp n VAL 13 N 1.34 0.00 0.00 4.45 3.14 -1.26 -4.44 118.33 121.55 2jsp n VAL 13 Ca -0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2jsp n VAL 13 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 -0.04 0.00 -2.91 1.45 5.12 -1.26 -1.00 116.66 118.02 2jsp n ARG 14 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 2jsp n ARG 14 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 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 0.00 4.09 0.22 5.56 5.02 -1.26 -4.74 118.16 127.05 2jsp n LYS 15 Ca 0.00 -4.73 0.07 0.00 -2.02 0.00 0.00 58.31 51.63 2jsp n LYS 15 Cb 0.00 -2.36 0.61 0.00 -0.02 0.00 0.00 35.03 33.26 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 3.88 0.06 -3.39 4.39 0.02 -1.38 -3.40 113.55 113.73 2jsp h SER 16 Ca 0.29 -0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.65 2jsp h SER 16 Cb 0.47 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.91 2jsp h SER 16 CO 1.01 0.05 0.17 -0.69 -1.14 0.00 0.00 176.83 176.23 2jsp s VAL 17 N -5.13 4.99 0.00 2.27 1.01 -1.26 -2.76 120.40 119.53 2jsp s VAL 17 Ca -0.05 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2jsp s VAL 17 Cb 0.17 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jsp s VAL 17 CO 0.68 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.87 2jsp n GLN 18 N 5.08 3.03 -1.92 2.72 6.02 -0.15 -5.03 117.38 127.12 2jsp n GLN 18 Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 2jsp n GLN 18 Cb 0.49 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.68 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 0.43 4.53 -1.39 1.08 1.11 -1.26 -3.56 116.67 117.61 2jsp s ASP 19 Ca 0.00 -1.41 -0.00 0.00 0.18 0.00 0.00 52.55 51.32 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 -3.59 0.01 -0.67 1.18 0.00 0.00 175.17 172.09 2jsp n ASP 20 N 16.04 -4.83 -3.78 0.27 2.03 -1.26 -4.98 116.55 120.04 2jsp n ASP 20 Ca 0.44 0.09 -0.13 0.00 0.52 0.00 0.00 54.79 55.71 2jsp n ASP 20 Cb 0.47 -4.05 -0.13 0.00 -0.72 0.00 0.00 41.12 36.68 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 -2.81 -0.19 -0.13 -0.67 -3.43 -1.23 -4.47 115.29 102.35 2jsp s HIS 21 Ca 0.01 0.50 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 2jsp s HIS 21 Cb -0.00 0.00 -0.01 0.00 -1.43 0.00 0.00 32.58 31.14 2jsp s HIS 21 CO 0.01 -0.14 -0.15 -1.50 -2.00 0.00 0.00 174.74 170.96 2jsp s ILE 22 N 0.67 2.84 0.05 -5.38 2.07 0.61 -0.98 121.20 121.08 2jsp s ILE 22 Ca -0.05 -0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 58.16 2jsp s ILE 22 Cb -0.06 -2.18 -0.05 0.00 0.13 0.00 0.00 42.46 40.30 2jsp s ILE 22 CO -0.03 0.52 1.05 0.54 -1.91 0.00 0.00 174.94 175.11 2jsp s VAL 23 N 0.48 4.47 -0.75 4.00 0.11 -1.11 -2.19 120.40 125.40 2jsp s VAL 23 Ca -0.10 1.84 -0.26 0.00 -2.93 0.00 0.00 61.98 60.53 2jsp s VAL 23 Cb -0.16 -4.18 0.02 0.00 -1.53 0.00 0.00 36.38 30.53 2jsp s VAL 23 CO 0.05 0.18 1.40 0.00 -3.33 0.00 0.00 175.10 173.40 2jsp n LEU 25 N 9.95 3.29 0.00 0.00 7.99 -1.26 0.27 117.00 137.23 2jsp n LEU 25 Ca 0.10 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 57.22 2jsp n LEU 25 Cb 0.50 -1.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.37 2jsp n LEU 25 CO 0.70 -0.92 0.00 1.21 -1.51 0.00 0.00 177.39 176.87 2jsp n GLU 26 N 0.26 0.00 0.02 3.23 2.13 -0.67 -4.55 120.64 121.06 2jsp n GLU 26 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2jsp n GLU 26 Cb 0.38 -3.58 0.00 0.00 0.27 0.00 0.00 31.44 28.51 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 2.44 3.15 3.48 0.00 0.00 0.14 -4.48 105.19 109.92 2jsp n GLY 28 Ca 0.00 -0.90 -0.34 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 -1.52 3.30 -0.02 0.00 -1.26 -4.28 105.19 101.41 2jsp n GLY 29 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.93 2.69 0.25 1.61 0.15 -1.26 -0.38 113.70 114.84 2jsp s SER 30 Ca 0.62 -0.66 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 2jsp s SER 30 Cb -0.26 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 2jsp s SER 30 CO 0.62 0.11 0.57 0.72 1.20 0.00 0.00 173.24 176.46 2jsp s PHE 31 N -1.05 0.11 0.16 3.44 -0.12 -0.93 -4.93 117.98 114.65 2jsp s PHE 31 Ca 0.08 -0.50 -0.11 0.00 -0.05 0.00 0.00 56.93 56.35 2jsp s PHE 31 Cb -0.10 0.40 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 2jsp s PHE 31 CO 0.04 -1.07 1.58 1.57 -0.05 0.00 0.00 175.22 177.29 2jsp h LYS 32 N 2.16 0.95 -2.97 1.99 2.10 -1.86 0.18 116.57 119.12 2jsp h LYS 32 Ca -0.24 -0.35 -0.48 0.00 -2.00 0.00 0.00 60.65 57.58 2jsp h LYS 32 Cb 1.25 -0.06 -0.41 0.00 -0.90 0.00 0.00 32.23 32.11 2jsp h LYS 32 CO 0.31 1.01 -0.76 -1.54 -2.00 0.00 0.00 179.45 176.47 2jsp s SER 33 N -6.54 2.72 0.37 7.07 1.04 -1.26 -0.39 113.70 116.72 2jsp s SER 33 Ca -0.12 -0.83 0.10 0.00 0.48 0.00 0.00 55.95 55.59 2jsp s SER 33 Cb 0.12 -0.27 0.74 0.00 0.10 0.00 0.00 66.02 66.70 2jsp s SER 33 CO 0.85 -0.38 1.86 0.25 0.98 0.00 0.00 173.24 176.80 2jsp h LEU 34 N 8.42 0.15 -0.92 2.42 5.85 -0.54 -3.25 115.31 127.43 2jsp h LEU 34 Ca -0.17 -0.04 0.26 0.00 0.84 0.00 0.00 57.88 58.77 2jsp h LEU 34 Cb 1.11 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.94 2jsp h LEU 34 CO 0.34 0.40 0.18 0.07 -0.34 0.00 0.00 178.44 179.08 2jsp h LYS 35 N 0.14 0.11 0.03 1.25 2.10 -1.95 0.64 116.57 118.89 2jsp h LYS 35 Ca 0.02 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2jsp h LYS 35 Cb 0.52 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2jsp h LYS 35 CO 0.04 0.07 -0.01 -0.09 -2.00 0.00 0.00 179.45 177.46 2jsp h ARG 36 N 0.12 -0.03 -0.88 0.07 9.65 -1.93 -3.14 114.38 118.23 2jsp h ARG 36 Ca 0.58 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.70 2jsp h ARG 36 Cb 1.22 0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 29.66 2jsp h ARG 36 CO -0.75 -0.02 0.18 1.25 2.80 0.00 0.00 179.97 183.43 2jsp h HIS 37 N -0.06 0.25 0.00 2.20 2.76 -1.36 0.93 115.15 119.87 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 0.03 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.02 2jsp h HIS 37 CO 0.11 -0.25 0.00 -0.11 -1.30 0.00 0.00 177.93 176.38 2jsp n LEU 38 N -5.28 0.00 0.16 0.26 -0.00 0.21 -0.51 117.00 111.85 2jsp n LEU 38 Ca 0.21 0.91 0.14 0.00 -0.00 0.00 0.00 56.01 57.27 2jsp n LEU 38 Cb 0.68 -0.41 0.69 0.00 -0.00 0.00 0.00 43.42 44.38 2jsp n LEU 38 CO 0.04 -0.41 1.12 0.74 -0.00 0.00 0.00 177.39 178.88 2jsp h THR 39 N 0.00 0.82 0.39 1.96 2.02 -1.25 0.68 112.91 117.52 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 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2jsp h THR 39 CO 0.00 0.00 -0.19 0.74 0.37 0.00 0.00 175.52 176.44 2jsp h THR 40 N 0.00 0.57 0.00 3.16 2.02 -0.77 -3.30 112.91 114.59 2jsp h THR 40 Ca 0.10 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jsp h THR 40 Cb 0.41 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2jsp h THR 40 CO -0.00 0.08 0.00 1.41 0.37 0.00 0.00 175.52 177.38 2jsp n HIS 41 N -5.20 0.00 0.31 3.16 8.25 0.33 -4.53 115.22 117.54 2jsp n HIS 41 Ca -0.10 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.53 2jsp n HIS 41 Cb 0.28 0.00 0.87 0.00 1.12 0.00 0.00 29.99 32.26 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 -1.60 4.41 -0.00 -1.60 -3.49 115.15 112.87 2jsp h HIS 42 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 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 -0.05 0.43 -0.00 0.00 0.00 177.93 178.31 2jsp n SER 43 N -3.02 -4.72 -0.81 2.45 7.64 0.23 -4.91 113.62 110.48 2jsp n SER 43 Ca -0.01 0.14 0.10 0.00 1.01 0.00 0.00 58.87 60.10 2jsp n SER 43 Cb 0.35 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.72 -1.81 -2.34 1.43 2.81 -1.26 -3.60 117.12 110.63 2jsp n MET 44 Ca 0.00 1.42 -0.39 0.00 -1.81 0.00 0.00 57.70 56.92 2jsp n MET 44 Cb 0.06 -2.14 -0.03 0.00 -0.71 0.00 0.00 33.22 30.40 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 -3.21 3.23 0.15 2.03 -4.23 -1.26 -3.63 115.64 108.72 2jsp s THR 45 Ca 0.00 1.12 -0.17 0.00 -1.18 0.00 0.00 61.69 61.46 2jsp s THR 45 Cb 0.00 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.21 2jsp s THR 45 CO 0.00 0.18 1.72 1.55 -0.54 0.00 0.00 174.62 177.53 2jsp h PRO 46 N 3.13 0.13 -0.60 3.99 0.13 -1.91 -0.44 132.00 136.43 2jsp h PRO 46 Ca -0.48 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2jsp h PRO 46 Cb 1.22 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2jsp h PRO 46 CO 0.64 0.09 0.25 0.93 -0.23 0.00 0.00 178.00 179.68 2jsp h GLU 47 N 0.14 0.43 -0.62 0.86 3.07 -1.94 0.01 114.58 116.53 2jsp h GLU 47 Ca 0.17 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 2jsp h GLU 47 Cb 0.21 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2jsp h GLU 47 CO -0.25 0.29 0.07 1.49 -1.40 0.00 0.00 179.01 179.20 2jsp h GLU 48 N 0.44 1.03 -0.82 2.33 4.81 -1.76 -2.65 114.58 117.96 2jsp h GLU 48 Ca 0.30 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2jsp h GLU 48 Cb 0.34 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2jsp h GLU 48 CO -0.28 0.96 0.47 -0.92 -0.73 0.00 0.00 179.01 178.51 2jsp h TYR 49 N 0.96 1.11 -0.39 0.92 3.20 -0.60 -2.43 116.97 119.74 2jsp h TYR 49 Ca 0.19 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.13 2jsp h TYR 49 Cb 0.46 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2jsp h TYR 49 CO 0.03 0.76 0.27 0.07 -1.64 0.00 0.00 178.16 177.66 2jsp h ARG 50 N 1.14 0.11 -0.86 1.82 -0.00 -0.63 -1.62 114.38 114.33 2jsp h ARG 50 Ca 0.29 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 60.24 2jsp h ARG 50 Cb 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.97 29.91 2jsp h ARG 50 CO -0.05 0.07 0.43 0.93 -0.00 0.00 0.00 179.97 181.35 2jsp h GLU 51 N 0.11 1.23 -0.04 0.08 5.08 -1.37 0.98 114.58 120.65 2jsp h GLU 51 Ca 0.18 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2jsp h GLU 51 Cb 0.59 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2jsp h GLU 51 CO -0.02 0.93 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.48 2jsp h LYS 52 N 1.22 -0.32 -0.02 2.33 1.63 -1.33 -1.00 116.57 119.08 2jsp h LYS 52 Ca 0.30 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 2jsp h LYS 52 Cb 0.09 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2jsp h LYS 52 CO -0.04 -0.21 0.00 0.91 -3.45 0.00 0.00 179.45 176.66 2jsp n TRP 53 N -5.35 0.03 -2.48 1.91 7.02 -1.14 -4.92 117.44 112.51 2jsp n TRP 53 Ca -0.04 -0.01 -0.11 0.00 -1.02 0.00 0.00 57.50 56.31 2jsp n TRP 53 Cb 0.26 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.15 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 -0.56 -3.61 -4.61 -0.99 8.00 -0.04 -4.85 116.55 109.89 2jsp n ASP 54 Ca 0.19 0.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 2jsp n ASP 54 Cb 0.17 -3.08 -0.03 0.00 -0.02 0.00 0.00 41.12 38.16 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 -5.59 3.59 0.49 0.64 1.98 0.14 -4.90 118.68 115.03 2jsp s LEU 55 Ca 0.02 1.66 -0.22 0.00 -2.89 0.00 0.00 54.13 52.70 2jsp s LEU 55 Cb -0.01 -3.52 -0.08 0.00 0.66 0.00 0.00 46.19 43.24 2jsp s LEU 55 CO 0.02 -1.71 1.06 -0.81 -1.89 0.00 0.00 176.35 173.03 2jsp n PRO 56 N 8.41 1.33 -1.48 0.98 -0.04 -1.26 -2.23 135.00 140.70 2jsp n PRO 56 Ca 0.25 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2jsp n PRO 56 Cb 0.45 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.90 -0.06 -4.01 0.52 3.14 -1.26 -2.80 118.33 112.97 2jsp n VAL 57 Ca 0.10 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.19 2jsp n VAL 57 Cb 0.42 -1.31 -0.03 0.00 -1.06 0.00 0.00 33.84 31.87 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 -0.62 -1.02 -3.41 6.55 5.75 -0.95 -4.81 116.55 118.04 2jsp n ASP 58 Ca -0.13 -1.09 -0.37 0.00 -0.01 0.00 0.00 54.79 53.18 2jsp n ASP 58 Cb 0.45 -2.66 -0.02 0.00 -1.03 0.00 0.00 41.12 37.86 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 -4.47 -0.35 -1.84 2.11 4.11 -1.12 -4.82 117.16 110.79 2jsp n TYR 59 Ca -0.27 0.75 -0.42 0.00 -0.00 0.00 0.00 57.90 57.96 2jsp n TYR 59 Cb 0.67 -1.52 -0.03 0.00 -0.00 0.00 0.00 39.34 38.46 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 2jsp s PRO 60 N -0.75 4.17 0.39 -3.48 0.04 -1.26 -4.91 135.00 129.21 2jsp s PRO 60 Ca 0.50 2.45 0.20 0.00 0.04 0.00 0.00 61.00 64.19 2jsp s PRO 60 Cb -0.73 -3.47 0.73 0.00 0.04 0.00 0.00 34.50 31.07 2jsp s PRO 60 CO 0.43 -0.75 1.76 0.52 0.04 0.00 0.00 177.00 179.00 2jsp h MET 61 N 8.02 0.00 -7.37 4.56 2.86 -1.96 -3.47 114.93 117.59 2jsp h MET 61 Ca -0.44 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.74 2jsp h MET 61 Cb 1.21 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.95 2jsp h MET 61 CO 0.94 0.34 0.26 0.08 1.06 0.00 0.00 176.91 179.59 2jsp s VAL 62 N -3.64 2.21 0.28 -2.22 1.01 -1.26 0.21 120.40 116.99 2jsp s VAL 62 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2jsp s VAL 62 Cb 0.11 -2.98 -0.15 0.00 0.00 0.00 0.00 36.38 33.36 2jsp s VAL 62 CO 0.68 0.00 0.65 0.00 0.00 0.00 0.00 175.10 176.43 2jsp n ALA 63 N -3.03 -1.81 -0.34 5.51 0.00 0.48 -4.84 120.51 116.48 2jsp n ALA 63 Ca 0.09 0.36 0.25 0.00 0.00 0.00 0.00 53.44 54.14 2jsp n ALA 63 Cb 0.60 -1.76 0.53 0.00 0.00 0.00 0.00 19.45 18.83 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 1.24 0.33 0.00 0.00 0.13 -1.89 -0.10 132.00 131.70 2jsp h PRO 64 Ca -0.34 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2jsp h PRO 64 Cb 1.40 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2jsp h PRO 64 CO 0.57 0.22 -0.33 0.00 -0.23 0.00 0.00 178.00 178.22 2jsp n ALA 65 N -2.48 3.03 -0.29 -0.56 0.00 -1.26 -4.61 120.51 114.34 2jsp n ALA 65 Ca 0.27 -2.94 0.11 0.00 0.00 0.00 0.00 53.44 50.88 2jsp n ALA 65 Cb 0.97 -0.38 0.27 0.00 0.00 0.00 0.00 19.45 20.31 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 0.59 0.55 -1.08 0.00 3.20 -1.34 -1.60 116.97 117.29 2jsp h TYR 66 Ca -0.01 0.04 -0.40 0.00 3.14 0.00 0.00 58.73 61.50 2jsp h TYR 66 Cb 1.05 -0.11 -0.40 0.00 1.54 0.00 0.00 36.73 38.81 2jsp h TYR 66 CO 0.43 -0.04 -1.11 0.00 -1.64 0.00 0.00 178.16 175.80 2jsp n ALA 67 N -2.55 3.72 -1.92 1.82 0.00 -1.26 -5.00 120.51 115.33 2jsp n ALA 67 Ca 0.20 -3.35 -0.14 0.00 0.00 0.00 0.00 53.44 50.15 2jsp n ALA 67 Cb 0.59 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2jsp n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jsp n GLU 68 N -0.15 -1.72 -1.95 0.00 4.07 -0.60 -1.24 120.64 119.04 2jsp n GLU 68 Ca 0.15 0.75 -0.08 0.00 -0.06 0.00 0.00 57.16 57.91 2jsp n GLU 68 Cb 0.79 -5.18 -0.02 0.00 -0.06 0.00 0.00 31.44 26.97 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 -0.80 -0.55 -1.00 4.31 0.00 -1.26 -4.97 120.51 116.24 2jsp n ALA 69 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jsp n ALA 69 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.21 0.00 -2.77 0.00 1.74 -0.38 -2.55 116.66 110.50 2jsp n ARG 70 Ca -0.09 0.06 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 2jsp n ARG 70 Cb 0.44 -0.57 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 2jsp n ARG 70 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2jsp n SER 71 N -0.13 5.45 -1.55 0.55 3.41 -1.26 -4.57 113.62 115.52 2jsp n SER 71 Ca 0.00 -3.13 -0.18 0.00 -0.26 0.00 0.00 58.87 55.30 2jsp n SER 71 Cb 0.00 -1.45 -0.08 0.00 -0.26 0.00 0.00 64.21 62.42 2jsp n SER 71 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jsp n ARG 72 N 3.70 -1.41 0.00 4.33 5.12 -1.10 -3.99 116.66 123.31 2jsp n ARG 72 Ca 0.34 1.08 0.00 0.00 -1.93 0.00 0.00 57.85 57.34 2jsp n ARG 72 Cb 0.38 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.25 2jsp n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jsp n LEU 73 N -2.23 0.00 -4.62 0.55 -0.00 -1.06 -4.46 117.00 105.20 2jsp n LEU 73 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.40 2jsp n LEU 73 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.00 2jsp n LEU 73 CO 0.28 0.00 1.15 0.00 -0.00 0.00 0.00 177.39 178.82 2jsp s ALA 74 N 0.00 3.24 -0.48 1.96 0.00 -1.26 -4.93 121.76 120.29 2jsp s ALA 74 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 51.99 2jsp s ALA 74 Cb 0.00 -3.84 0.25 0.00 0.00 0.00 0.00 23.12 19.53 2jsp s ALA 74 CO 0.00 -2.02 0.60 0.36 0.00 0.00 0.00 175.76 174.71 2jsp n LYS 75 N 7.60 1.39 -3.57 0.00 2.85 -1.26 -5.01 118.16 120.16 2jsp n LYS 75 Ca 0.15 -3.77 -0.14 0.00 -1.05 0.00 0.00 58.31 53.50 2jsp n LYS 75 Cb 0.47 -1.61 -0.06 0.00 -0.65 0.00 0.00 35.03 33.18 2jsp n LYS 75 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2jsp s GLU 76 N -1.66 0.82 0.11 -1.58 1.03 -1.26 -5.07 118.70 111.08 2jsp s GLU 76 Ca 0.37 0.39 0.00 0.00 0.03 0.00 0.00 54.97 55.75 2jsp s GLU 76 Cb 0.16 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.88 2jsp s GLU 76 CO -0.07 -0.22 0.00 0.00 -1.33 0.00 0.00 175.26 173.64 2jsp n MET 77 N 1.30 0.00 0.00 -4.83 0.00 -1.26 -4.75 117.12 107.58 2jsp n MET 77 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.55 2jsp n MET 77 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 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 1.12 0.78 1.24 3.17 0.00 -1.26 -4.97 105.19 105.27 2jsp n GLY 78 Ca 0.00 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.81 -3.76 0.99 7.99 -1.26 -4.48 117.00 115.68 2jsp n LEU 79 Ca 0.00 1.88 -0.42 0.00 -0.01 0.00 0.00 56.01 57.46 2jsp n LEU 79 Cb 0.00 -2.75 -0.02 0.00 -0.11 0.00 0.00 43.42 40.55 2jsp n LEU 79 CO 0.00 -1.66 2.46 0.61 -1.51 0.00 0.00 177.39 177.30 2jsp n GLY 80 N -4.06 3.72 3.68 -0.72 0.00 -1.26 -4.96 105.19 101.60 2jsp n GLY 80 Ca -0.07 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 2jsp n GLY 80 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jsp s GLN 81 N 3.84 4.27 0.00 1.61 1.03 -1.26 -4.69 119.66 124.45 2jsp s GLN 81 Ca 0.51 0.61 0.00 0.00 0.04 0.00 0.00 55.36 56.52 2jsp s GLN 81 Cb 0.13 -3.53 0.00 0.00 0.03 0.00 0.00 33.01 29.64 2jsp s GLN 81 CO -0.02 -0.11 0.00 -2.13 -2.54 0.00 0.00 175.29 170.50 2jsp n ARG 82 N 4.56 0.00 0.12 9.60 0.63 -1.26 -5.01 116.66 125.29 2jsp n ARG 82 Ca -0.03 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.77 2jsp n ARG 82 Cb 0.50 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.33 2jsp n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jsp h ARG 83 N 0.00 -0.28 -5.52 -0.14 3.08 -2.05 -3.49 114.38 105.98 2jsp h ARG 83 Ca 0.00 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2jsp h ARG 83 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2jsp h ARG 83 CO 0.00 0.03 -0.31 1.17 -1.07 0.00 0.00 179.97 179.78 2jsp n LYS 84 N -5.08 -1.72 -3.03 0.04 4.81 -1.26 -5.03 118.16 106.89 2jsp n LYS 84 Ca -0.09 1.64 -0.14 0.00 -0.87 0.00 0.00 58.31 58.84 2jsp n LYS 84 Cb 0.23 -5.27 -0.04 0.00 0.02 0.00 0.00 35.03 29.98 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 -1.29 0.21 -3.61 3.14 0.00 -1.26 -5.12 120.51 112.59 2jsp n ALA 85 Ca 0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 53.44 51.47 2jsp n ALA 85 Cb 0.51 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 2jsp n ALA 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jsp s ASN 86 N 0.36 -0.07 0.00 0.00 3.84 -1.26 -5.26 114.94 112.55 2jsp s ASN 86 Ca 0.31 -0.04 0.16 0.00 0.21 0.00 0.00 52.86 53.51 2jsp s ASN 86 Cb 0.03 0.10 0.98 0.00 -0.55 0.00 0.00 41.25 41.81 2jsp s ASN 86 CO -0.12 -0.18 1.39 -2.11 -2.79 0.00 0.00 177.10 173.29