#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpi s PHE 2 N 0.00 2.76 -0.14 3.17 0.08 -0.85 -4.90 117.98 118.10 2jpi s PHE 2 Ca 0.00 -0.16 -0.06 0.00 0.12 0.00 0.00 56.93 56.82 2jpi s PHE 2 Cb 0.00 -2.63 0.06 0.00 -0.57 0.00 0.00 43.02 39.88 2jpi s PHE 2 CO 0.00 -0.77 0.32 0.50 -0.10 0.00 0.00 175.22 175.17 2jpi s ARG 3 N -4.64 0.25 0.32 0.44 6.06 -0.64 -3.62 118.95 117.11 2jpi s ARG 3 Ca 0.57 0.75 0.09 0.00 -2.50 0.00 0.00 55.73 54.64 2jpi s ARG 3 Cb -0.10 0.01 -0.05 0.00 0.06 0.00 0.00 34.95 34.87 2jpi s ARG 3 CO 0.37 -0.22 -0.01 0.45 -2.50 0.00 0.00 175.30 173.39 2jpi s SER 4 N 1.92 4.20 -0.10 -2.12 0.15 -1.26 -3.65 113.70 112.84 2jpi s SER 4 Ca -0.05 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 55.63 2jpi s SER 4 Cb -0.11 -0.57 0.05 0.00 -1.71 0.00 0.00 66.02 63.68 2jpi s SER 4 CO -0.10 -0.17 0.22 0.42 1.20 0.00 0.00 173.24 174.81 2jpi s THR 5 N -2.48 -0.09 -0.15 6.45 -4.23 -1.26 -3.53 115.64 110.36 2jpi s THR 5 Ca 0.34 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2jpi s THR 5 Cb -0.02 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.45 2jpi s THR 5 CO 0.19 0.07 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.72 2jpi s SER 6 N 1.39 4.52 -0.12 3.99 0.15 -0.31 -3.64 113.70 119.68 2jpi s SER 6 Ca -0.08 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2jpi s SER 6 Cb -0.11 -1.72 -0.01 0.00 -1.71 0.00 0.00 66.02 62.47 2jpi s SER 6 CO -0.08 0.17 -0.14 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N 0.36 2.78 0.03 3.44 2.46 -1.25 -1.16 115.29 121.95 2jpi s HIS 7 Ca -0.06 -0.66 -0.00 0.00 0.47 0.00 0.00 55.06 54.80 2jpi s HIS 7 Cb -0.15 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.45 2jpi s HIS 7 CO 0.04 -0.22 -0.03 0.08 -2.47 0.00 0.00 174.74 172.15 2jpi s VAL 8 N 0.30 0.15 -0.46 0.89 1.01 -1.03 -4.23 120.40 117.04 2jpi s VAL 8 Ca -0.11 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 2jpi s VAL 8 Cb -0.16 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.57 2jpi s VAL 8 CO 0.06 -0.68 0.40 -0.13 0.00 0.00 0.00 175.10 174.75 2jpi s ARG 9 N -2.34 2.99 0.14 2.72 3.00 -1.26 -2.30 118.95 121.90 2jpi s ARG 9 Ca -0.08 -1.23 0.06 0.00 0.00 0.00 0.00 55.73 54.48 2jpi s ARG 9 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.78 2jpi s ARG 9 CO -0.04 -0.99 -0.12 -0.08 0.00 0.00 0.00 175.30 174.07 2jpi s THR 10 N 1.75 1.31 -0.00 0.02 -1.32 -1.05 -4.98 115.64 111.37 2jpi s THR 10 Ca 0.05 -1.90 -0.00 0.00 -1.21 0.00 0.00 61.69 58.63 2jpi s THR 10 Cb -0.23 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 2jpi s THR 10 CO 0.08 -0.56 0.07 -1.61 -2.21 0.00 0.00 174.62 170.38 2jpi s GLU 11 N -3.19 3.01 -1.74 7.08 2.02 -1.26 -2.30 118.70 122.33 2jpi s GLU 11 Ca 0.13 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2jpi s GLU 11 Cb -0.02 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2jpi s GLU 11 CO 0.03 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.40 2jpi n SER 12 N 1.21 -5.33 -0.01 -0.19 2.88 0.20 -4.89 113.62 107.49 2jpi n SER 12 Ca -0.13 0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2jpi n SER 12 Cb 0.53 -4.54 -0.04 0.00 -0.75 0.00 0.00 64.21 59.41 2jpi n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpi h ALA 13 N 0.77 -0.35 -1.36 -1.46 0.00 -1.70 -2.71 119.26 112.45 2jpi h ALA 13 Ca -0.43 0.03 0.39 0.00 0.00 0.00 0.00 54.91 54.90 2jpi h ALA 13 Cb 1.31 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 2jpi h ALA 13 CO 0.54 -0.79 1.23 0.00 0.00 0.00 0.00 179.25 180.23 2jpi h ALA 14 N 0.46 3.27 0.22 0.00 0.00 -1.49 0.37 119.26 122.10 2jpi h ALA 14 Ca 0.10 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 2jpi h ALA 14 Cb 0.54 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.46 2jpi h ALA 14 CO -0.37 -1.93 -1.44 -0.09 0.00 0.00 0.00 179.25 175.42 2jpi h ARG 15 N 0.00 0.47 0.00 0.00 1.12 -1.77 -2.65 114.38 111.55 2jpi h ARG 15 Ca 0.65 -0.81 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 2jpi h ARG 15 Cb 3.10 0.30 -0.00 0.00 -0.01 0.00 0.00 29.97 33.36 2jpi h ARG 15 CO -0.01 1.39 -0.03 1.88 -3.11 0.00 0.00 179.97 180.09 2jpi h TYR 16 N 0.04 0.00 0.25 2.20 0.05 -0.36 0.25 116.97 119.40 2jpi h TYR 16 Ca -0.26 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.18 2jpi h TYR 16 Cb 2.07 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.84 2jpi h TYR 16 CO 0.13 0.03 -1.53 0.28 -1.05 0.00 0.00 178.16 176.02 2jpi h VAL 17 N 0.00 1.22 -0.06 -2.88 2.07 -1.46 -3.19 116.25 111.94 2jpi h VAL 17 Ca -0.00 -2.66 -0.14 0.00 0.82 0.00 0.00 66.70 64.72 2jpi h VAL 17 Cb 0.10 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2jpi h VAL 17 CO 0.00 0.82 -0.59 0.78 0.02 0.00 0.00 177.57 178.61 2jpi h ASN 18 N 0.14 0.23 1.53 0.57 2.35 -0.80 -3.06 115.58 116.54 2jpi h ASN 18 Ca -0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2jpi h ASN 18 Cb 2.16 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.47 2jpi h ASN 18 CO 0.26 0.76 0.00 -0.09 -1.65 0.00 0.00 177.43 176.72 2jpi h ARG 19 N 0.15 0.00 -0.09 0.81 9.65 -0.69 -3.30 114.38 120.92 2jpi h ARG 19 Ca -0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2jpi h ARG 19 Cb 1.07 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2jpi h ARG 19 CO 0.09 0.00 -0.05 -0.07 2.80 0.00 0.00 179.97 182.73 2jpi h LEU 20 N 0.00 0.20 -1.65 3.80 3.38 -1.52 -0.09 115.31 119.43 2jpi h LEU 20 Ca 0.00 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.63 2jpi h LEU 20 Cb 0.76 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2jpi h LEU 20 CO 0.00 0.59 0.39 0.00 0.09 0.00 0.00 178.44 179.51 2jpi h LYS 22 N 0.40 0.00 0.00 0.00 1.57 -1.66 -2.05 116.57 114.83 2jpi h LYS 22 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2jpi h LYS 22 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jpi h LYS 22 CO -0.07 0.01 -0.20 1.25 -0.57 0.00 0.00 179.45 179.86 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.15 -3.40 115.15 113.32 2jpi h HIS 23 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2jpi h HIS 23 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2jpi h HIS 23 CO 0.00 0.00 -0.45 0.91 -1.30 0.00 0.00 177.93 177.09 2jpi n TRP 24 N -4.21 0.28 -0.81 5.26 7.02 0.12 -4.55 117.44 120.55 2jpi n TRP 24 Ca -0.03 0.08 -0.30 0.00 -1.02 0.00 0.00 57.50 56.23 2jpi n TRP 24 Cb 0.11 -0.49 -0.04 0.00 -2.42 0.00 0.00 31.31 28.47 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jpi n GLY 25 N 1.42 2.57 0.03 6.99 0.00 -0.77 -4.05 105.19 111.39 2jpi n GLY 25 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2jpi n GLY 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jpi n HIS 26 N 5.93 0.00 -2.01 1.61 1.44 -1.26 -4.78 115.22 116.15 2jpi n HIS 26 Ca 0.42 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 56.13 2jpi n HIS 26 Cb 0.25 -0.40 -0.00 0.00 0.12 0.00 0.00 29.99 29.96 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2jpi n LYS 27 N -2.18 0.00 -4.13 -1.40 0.00 -1.26 -5.13 118.16 104.06 2jpi n LYS 27 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 58.31 57.71 2jpi n LYS 27 Cb 0.61 -0.15 -0.10 0.00 0.00 0.00 0.00 35.03 35.40 2jpi n LYS 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2jpi s PHE 28 N 0.00 0.78 -0.58 5.64 0.08 -1.26 -5.11 117.98 117.53 2jpi s PHE 28 Ca 0.01 -1.19 -0.28 0.00 0.12 0.00 0.00 56.93 55.58 2jpi s PHE 28 Cb 0.01 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2jpi s PHE 28 CO -0.00 -0.49 1.18 -1.83 -0.10 0.00 0.00 175.22 173.98 2jpi s GLU 29 N -4.02 3.51 -0.27 0.44 -1.05 -1.26 -4.78 118.70 111.28 2jpi s GLU 29 Ca 0.20 0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2jpi s GLU 29 Cb 0.08 -4.01 0.04 0.00 -0.44 0.00 0.00 34.13 29.80 2jpi s GLU 29 CO -0.01 -1.67 -0.06 0.14 0.95 0.00 0.00 175.26 174.61 2jpi s VAL 30 N 4.91 2.68 -0.10 1.83 -7.23 -1.24 -2.76 120.40 118.49 2jpi s VAL 30 Ca 0.43 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 2jpi s VAL 30 Cb -0.08 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2jpi s VAL 30 CO 0.25 0.03 0.41 -0.70 -0.31 0.00 0.00 175.10 174.78 2jpi s GLU 31 N 1.23 4.21 -0.30 4.82 2.12 0.35 -4.90 118.70 126.22 2jpi s GLU 31 Ca -0.04 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 2jpi s GLU 31 Cb -0.19 -3.38 0.06 0.00 0.26 0.00 0.00 34.13 30.89 2jpi s GLU 31 CO -0.04 0.32 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.83 2jpi s LEU 32 N 0.15 3.98 0.26 2.70 0.20 -1.26 -1.85 118.68 122.85 2jpi s LEU 32 Ca 0.23 -1.43 0.05 0.00 0.69 0.00 0.00 54.13 53.67 2jpi s LEU 32 Cb -0.15 -1.68 -0.06 0.00 -0.43 0.00 0.00 46.19 43.88 2jpi s LEU 32 CO 0.09 -0.28 -0.04 0.42 -0.29 0.00 0.00 176.35 176.26 2jpi s THR 33 N 1.18 1.40 -0.10 3.68 -4.23 -1.19 -5.02 115.64 111.36 2jpi s THR 33 Ca -0.04 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 2jpi s THR 33 Cb -0.20 -2.40 -0.22 0.00 1.34 0.00 0.00 72.50 71.02 2jpi s THR 33 CO -0.03 -0.32 3.19 -0.81 -0.54 0.00 0.00 174.62 176.11 2jpi n PRO 34 N -0.52 1.84 0.00 3.99 -0.04 -1.26 -3.19 135.00 135.83 2jpi n PRO 34 Ca -0.05 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2jpi n PRO 34 Cb 0.64 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2jpi n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jpi n GLU 35 N 2.65 0.00 -3.69 0.54 1.02 -1.26 -5.06 120.64 114.84 2jpi n GLU 35 Ca 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.52 2jpi n GLU 35 Cb 0.76 -0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 32.16 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2jpi s ARG 36 N -1.05 0.87 -0.24 3.49 1.70 -1.19 -2.10 118.95 120.44 2jpi s ARG 36 Ca 0.00 -0.47 -0.06 0.00 -0.47 0.00 0.00 55.73 54.72 2jpi s ARG 36 Cb 0.00 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 2jpi s ARG 36 CO 0.00 -0.40 0.03 0.20 -1.08 0.00 0.00 175.30 174.06 2jpi s GLY 37 N -2.92 1.72 -0.36 3.88 0.00 -0.48 -3.15 107.32 106.00 2jpi s GLY 37 Ca 0.13 -1.13 -0.14 0.00 0.00 0.00 0.00 44.72 43.58 2jpi s GLY 37 CO -0.01 0.48 0.27 -0.12 0.00 0.00 0.00 173.10 173.72 2jpi s PHE 38 N 1.52 3.23 -0.24 1.90 5.36 -0.77 -2.12 117.98 126.85 2jpi s PHE 38 Ca 0.06 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 2jpi s PHE 38 Cb -0.15 -2.53 0.06 0.00 -0.34 0.00 0.00 43.02 40.06 2jpi s PHE 38 CO 0.02 -0.44 -0.05 0.42 -1.46 0.00 0.00 175.22 173.70 2jpi s ILE 39 N 1.74 1.60 -0.14 3.12 1.01 -0.87 -0.49 121.20 127.17 2jpi s ILE 39 Ca 0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.38 2jpi s ILE 39 Cb -0.18 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2jpi s ILE 39 CO 0.11 -0.12 -0.01 -0.62 0.00 0.00 0.00 174.94 174.30 2jpi s ASP 40 N 1.36 5.08 -0.10 3.58 -1.08 -1.11 -0.27 116.67 124.12 2jpi s ASP 40 Ca -0.05 -0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.15 2jpi s ASP 40 Cb -0.19 -1.72 0.67 0.00 -1.46 0.00 0.00 42.92 40.23 2jpi s ASP 40 CO -0.06 0.23 1.59 0.49 0.52 0.00 0.00 175.17 177.93 2jpi n PHE 41 N 3.12 1.35 0.00 -5.34 3.01 -0.86 -3.99 117.46 114.75 2jpi n PHE 41 Ca -0.18 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.67 2jpi n PHE 41 Cb 0.53 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2jpi n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpi n GLY 42 N 0.99 1.30 2.29 1.37 0.00 -1.26 -4.74 105.19 105.15 2jpi n GLY 42 Ca 0.24 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 2jpi n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpi n ASP 43 N 0.00 6.87 0.00 1.61 8.00 -1.26 -4.77 116.55 127.00 2jpi n ASP 43 Ca 0.00 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.68 2jpi n ASP 43 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2jpi n SER 44 N 2.15 0.00 -4.00 -2.24 3.41 -1.26 -4.45 113.62 107.23 2jpi n SER 44 Ca 0.56 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.06 2jpi n SER 44 Cb 0.54 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2jpi s ASN 45 N 0.00 0.13 -0.28 4.04 -0.87 0.29 -2.04 114.94 116.22 2jpi s ASN 45 Ca 0.00 -1.18 0.01 0.00 -1.57 0.00 0.00 52.86 50.11 2jpi s ASN 45 Cb 0.00 0.51 0.15 0.00 -0.02 0.00 0.00 41.25 41.89 2jpi s ASN 45 CO 0.00 -1.03 0.40 0.00 -2.57 0.00 0.00 177.10 173.90 2jpi s GLU 47 N 2.54 3.45 -0.15 0.00 2.12 0.06 -2.05 118.70 124.67 2jpi s GLU 47 Ca 0.11 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 2jpi s GLU 47 Cb -0.13 -2.97 0.07 0.00 0.26 0.00 0.00 34.13 31.35 2jpi s GLU 47 CO -0.26 0.53 0.16 -1.17 -0.54 0.00 0.00 175.26 173.98 2jpi s LEU 48 N -3.01 0.04 -0.06 2.70 2.96 -0.90 -2.47 118.68 117.94 2jpi s LEU 48 Ca 0.35 -0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 2jpi s LEU 48 Cb -0.12 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 2jpi s LEU 48 CO 0.28 -0.31 0.61 -0.22 -1.32 0.00 0.00 176.35 175.40 2jpi s LEU 49 N 2.26 4.34 -0.16 -0.68 2.96 0.34 -1.39 118.68 126.35 2jpi s LEU 49 Ca 0.04 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 55.00 2jpi s LEU 49 Cb -0.15 -2.93 0.07 0.00 0.50 0.00 0.00 46.19 43.68 2jpi s LEU 49 CO -0.09 -0.01 0.18 0.00 -1.32 0.00 0.00 176.35 175.10 2jpi s ALA 50 N 0.42 -0.10 0.31 5.97 0.00 -0.89 0.13 121.76 127.59 2jpi s ALA 50 Ca 0.32 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.61 2jpi s ALA 50 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 2jpi s ALA 50 CO 0.16 -1.01 0.10 -1.58 0.00 0.00 0.00 175.76 173.43 2jpi s HIS 51 N 2.28 2.74 0.62 0.00 2.46 0.30 -2.20 115.29 121.49 2jpi s HIS 51 Ca 0.05 -0.31 0.13 0.00 0.47 0.00 0.00 55.06 55.40 2jpi s HIS 51 Cb -0.15 -1.48 0.70 0.00 -0.13 0.00 0.00 32.58 31.53 2jpi s HIS 51 CO -0.10 0.44 1.38 -1.35 -2.47 0.00 0.00 174.74 172.65 2jpi h PRO 52 N 1.65 0.00 0.00 2.88 0.11 -1.91 -2.40 132.00 132.32 2jpi h PRO 52 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jpi h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jpi h PRO 52 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2jpi n ASP 53 N -2.61 0.01 -3.93 -2.05 5.68 -1.21 -0.63 116.55 111.82 2jpi n ASP 53 Ca -0.01 -0.78 -0.09 0.00 -0.50 0.00 0.00 54.79 53.42 2jpi n ASP 53 Cb 0.71 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.60 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2jpi s HIS 54 N -0.00 0.23 -0.01 2.11 -3.43 -0.92 -2.52 115.29 110.74 2jpi s HIS 54 Ca 0.00 -0.61 -0.01 0.00 -0.80 0.00 0.00 55.06 53.64 2jpi s HIS 54 Cb 0.00 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.01 2jpi s HIS 54 CO 0.00 -0.43 0.03 0.54 -2.00 0.00 0.00 174.74 172.88 2jpi s VAL 55 N -3.26 -0.01 0.06 -5.38 0.11 -0.97 0.11 120.40 111.05 2jpi s VAL 55 Ca 0.01 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.20 2jpi s VAL 55 Cb 0.03 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 2jpi s VAL 55 CO -0.08 0.02 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.70 2jpi s LEU 56 N 0.27 2.25 -0.19 2.54 1.43 0.34 -2.45 118.68 122.86 2jpi s LEU 56 Ca -0.02 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 2jpi s LEU 56 Cb -0.03 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2jpi s LEU 56 CO -0.01 0.25 -0.07 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.38 1.63 -0.03 1.70 -1.94 -0.31 0.13 119.30 119.10 2jpi s MET 57 Ca 0.12 -0.71 0.05 0.00 -1.71 0.00 0.00 55.69 53.45 2jpi s MET 57 Cb -0.10 -2.26 -0.01 0.00 2.01 0.00 0.00 34.83 34.47 2jpi s MET 57 CO 0.03 -0.47 -0.19 0.42 -0.01 0.00 0.00 175.02 174.80 2jpi s ILE 58 N 1.52 1.55 0.04 2.53 1.01 -1.03 -1.17 121.20 125.65 2jpi s ILE 58 Ca -0.01 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.91 2jpi s ILE 58 Cb -0.16 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2jpi s ILE 58 CO -0.08 0.44 -0.25 -1.48 0.00 0.00 0.00 174.94 173.58 2jpi s LEU 59 N -0.21 2.16 -0.31 2.97 -0.00 -1.23 -0.76 118.68 121.30 2jpi s LEU 59 Ca 0.01 -0.56 0.03 0.00 -0.00 0.00 0.00 54.13 53.61 2jpi s LEU 59 Cb -0.10 -1.20 0.09 0.00 -0.00 0.00 0.00 46.19 44.98 2jpi s LEU 59 CO 0.01 0.24 0.01 0.20 -0.00 0.00 0.00 176.35 176.81 2jpi s ASN 60 N -1.17 4.58 -0.14 1.48 0.01 -1.12 -4.15 114.94 114.42 2jpi s ASN 60 Ca 0.10 -1.88 -0.10 0.00 -0.71 0.00 0.00 52.86 50.28 2jpi s ASN 60 Cb -0.10 -1.52 0.05 0.00 0.41 0.00 0.00 41.25 40.09 2jpi s ASN 60 CO 0.02 -0.33 0.36 -0.44 -1.51 0.00 0.00 177.10 175.20 2jpi s SER 61 N 1.03 -0.41 0.16 -1.22 0.01 -1.24 0.11 113.70 112.15 2jpi s SER 61 Ca 0.05 0.75 0.15 0.00 1.31 0.00 0.00 55.95 58.22 2jpi s SER 61 Cb -0.19 0.70 0.72 0.00 0.21 0.00 0.00 66.02 67.46 2jpi s SER 61 CO -0.08 -0.16 1.47 -0.81 0.41 0.00 0.00 173.24 174.07 2jpi n PRO 62 N 3.58 0.09 -4.15 12.44 -0.04 -1.26 -2.01 135.00 143.65 2jpi n PRO 62 Ca -0.19 0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 63.59 2jpi n PRO 62 Cb 0.56 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 2jpi n PRO 62 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jpi s ASP 63 N -3.63 1.22 0.15 3.54 -4.77 -1.26 -4.01 116.67 107.92 2jpi s ASP 63 Ca 0.02 -0.51 -0.14 0.00 -3.30 0.00 0.00 52.55 48.61 2jpi s ASP 63 Cb 0.06 -0.02 0.04 0.00 -1.09 0.00 0.00 42.92 41.91 2jpi s ASP 63 CO 0.21 -0.10 1.71 -0.08 0.70 0.00 0.00 175.17 177.61 2jpi h GLU 64 N 4.64 0.75 -0.34 2.11 4.81 -1.97 1.03 114.58 125.61 2jpi h GLU 64 Ca -0.37 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 2jpi h GLU 64 Cb 1.19 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.37 2jpi h GLU 64 CO 0.42 0.66 -0.31 0.22 -0.73 0.00 0.00 179.01 179.26 2jpi h ASP 65 N 0.67 -1.02 0.64 1.04 1.82 -1.97 1.23 116.42 118.83 2jpi h ASP 65 Ca 0.17 0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2jpi h ASP 65 Cb 0.18 0.48 0.01 0.00 0.68 0.00 0.00 39.33 40.67 2jpi h ASP 65 CO -0.02 -0.32 -0.31 -1.28 -1.61 0.00 0.00 179.24 175.71 2jpi h SER 66 N -0.27 -0.73 -0.94 2.28 0.87 -1.89 0.41 113.55 113.29 2jpi h SER 66 Ca 0.16 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 2jpi h SER 66 Cb 0.53 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 62.56 2jpi h SER 66 CO -0.49 -0.52 -0.57 0.25 -0.53 0.00 0.00 176.83 174.97 2jpi h LEU 67 N -0.86 -2.08 -1.22 2.23 6.46 0.25 0.61 115.31 120.70 2jpi h LEU 67 Ca -0.09 0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2jpi h LEU 67 Cb 0.66 0.92 -0.02 0.00 -0.73 0.00 0.00 40.66 41.49 2jpi h LEU 67 CO 0.14 -0.23 -0.03 0.00 -0.62 0.00 0.00 178.44 177.70 2jpi h ALA 68 N 0.42 1.36 -0.94 1.25 0.00 0.15 -1.07 119.26 120.44 2jpi h ALA 68 Ca 0.15 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2jpi h ALA 68 Cb 0.41 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2jpi h ALA 68 CO -0.89 0.44 0.60 1.25 0.00 0.00 0.00 179.25 180.65 2jpi h HIS 69 N 0.47 1.00 0.00 0.00 6.17 0.24 0.48 115.15 123.52 2jpi h HIS 69 Ca 0.10 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.20 2jpi h HIS 69 Cb 0.36 -0.32 -0.00 0.00 2.52 0.00 0.00 27.41 29.97 2jpi h HIS 69 CO 0.01 0.41 -0.04 0.52 0.71 0.00 0.00 177.93 179.54 2jpi h MET 70 N 0.89 0.00 -0.31 5.26 2.86 -0.19 -2.47 114.93 120.96 2jpi h MET 70 Ca 0.46 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.19 2jpi h MET 70 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2jpi h MET 70 CO -0.22 0.21 0.26 -0.56 1.06 0.00 0.00 176.91 177.66 2jpi h GLN 71 N -1.00 0.00 0.10 1.72 -0.00 -1.10 -2.38 115.11 112.45 2jpi h GLN 71 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2jpi h GLN 71 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.73 2jpi h GLN 71 CO -0.00 0.00 -0.84 -0.97 -0.00 0.00 0.00 178.83 177.01 2jpi h ASN 72 N 0.00 0.32 -0.99 0.06 -0.73 -0.16 -3.24 115.58 110.84 2jpi h ASN 72 Ca 0.15 -0.90 0.32 0.00 1.87 0.00 0.00 56.30 57.73 2jpi h ASN 72 Cb 0.67 -0.10 -0.15 0.00 0.27 0.00 0.00 38.32 39.00 2jpi h ASN 72 CO -0.00 1.38 0.51 0.58 -0.37 0.00 0.00 177.43 179.53 2jpi h VAL 73 N -0.53 0.27 -0.14 2.57 2.07 -0.93 0.25 116.25 119.82 2jpi h VAL 73 Ca -0.17 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2jpi h VAL 73 Cb 1.52 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2jpi h VAL 73 CO 0.07 0.05 -0.17 0.58 0.02 0.00 0.00 177.57 178.12 2jpi h VAL 74 N 0.28 1.36 -0.84 2.57 2.07 -1.65 -2.87 116.25 117.16 2jpi h VAL 74 Ca 0.72 -1.37 0.24 0.00 0.82 0.00 0.00 66.70 67.11 2jpi h VAL 74 Cb 1.65 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 2jpi h VAL 74 CO -0.63 0.40 0.81 0.00 0.02 0.00 0.00 177.57 178.17 2jpi h ALA 75 N 0.58 2.68 0.17 1.67 0.00 -0.54 0.86 119.26 124.68 2jpi h ALA 75 Ca 0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 2jpi h ALA 75 Cb 0.72 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.61 2jpi h ALA 75 CO 0.04 -1.24 -1.33 0.22 0.00 0.00 0.00 179.25 176.94 2jpi h ASP 76 N 0.00 0.87 -0.66 0.00 3.58 -1.22 -3.29 116.42 115.70 2jpi h ASP 76 Ca 0.40 -0.85 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2jpi h ASP 76 Cb 2.01 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 42.75 2jpi h ASP 76 CO -0.00 1.65 0.32 0.45 -2.88 0.00 0.00 179.24 178.77 2jpi h HIS 77 N 0.23 0.94 0.00 0.28 3.86 0.84 -1.86 115.15 119.44 2jpi h HIS 77 Ca -0.21 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2jpi h HIS 77 Cb 2.01 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 30.19 2jpi h HIS 77 CO 0.12 0.71 -0.01 -0.07 0.86 0.00 0.00 177.93 179.54 2jpi h LEU 78 N 0.91 0.00 0.24 2.43 3.38 -1.47 -1.79 115.31 119.00 2jpi h LEU 78 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2jpi h LEU 78 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jpi h LEU 78 CO -0.03 0.01 -0.11 1.56 0.09 0.00 0.00 178.44 179.95 2jpi h GLN 79 N 0.00 -0.31 -0.48 1.13 4.20 -1.41 -2.76 115.11 115.48 2jpi h GLN 79 Ca -0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.83 2jpi h GLN 79 Cb 0.02 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2jpi h GLN 79 CO 0.00 -0.02 0.33 -0.09 -0.67 0.00 0.00 178.83 178.38 2jpi h ARG 80 N -1.00 0.19 0.00 1.46 2.43 -1.20 1.08 114.38 117.34 2jpi h ARG 80 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2jpi h ARG 80 Cb 0.43 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2jpi h ARG 80 CO 0.05 0.13 -0.10 0.00 -1.51 0.00 0.00 179.97 178.54 2jpi n MET 81 N -4.45 0.28 0.00 0.20 0.00 -0.70 -4.46 117.12 108.00 2jpi n MET 81 Ca 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 57.70 57.96 2jpi n MET 81 Cb 0.41 -1.80 -0.01 0.00 0.00 0.00 0.00 33.22 31.83 2jpi n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpi n ALA 82 N -1.80 2.25 -2.04 3.17 0.00 0.08 -5.08 120.51 117.08 2jpi n ALA 82 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2jpi n ALA 82 Cb 0.44 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 2jpi n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jpi n ASN 83 N -3.58 -3.69 0.00 0.00 5.15 0.35 -5.01 115.26 108.48 2jpi n ASN 83 Ca -0.04 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 2jpi n ASN 83 Cb 0.14 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 35.66 2jpi n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2jpi n SER 84 N 1.14 0.00 -3.46 1.20 2.88 -1.26 -5.11 113.62 109.00 2jpi n SER 84 Ca -0.15 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.32 2jpi n SER 84 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2jpi s GLU 85 N 0.00 1.86 -0.92 -1.46 -1.05 -1.26 -5.04 118.70 110.83 2jpi s GLU 85 Ca 0.00 -1.11 -0.21 0.00 -0.15 0.00 0.00 54.97 53.50 2jpi s GLU 85 Cb 0.00 0.58 -0.12 0.00 -0.44 0.00 0.00 34.13 34.15 2jpi s GLU 85 CO 0.00 -0.86 1.98 -1.13 0.95 0.00 0.00 175.26 176.20 2jpi n SER 86 N -0.88 2.81 0.00 0.83 3.41 -1.26 -4.77 113.62 113.76 2jpi n SER 86 Ca -0.06 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 2jpi n SER 86 Cb 0.60 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jpi n LEU 87 N 7.48 0.00 -4.55 1.04 7.99 -1.26 -4.59 117.00 123.10 2jpi n LEU 87 Ca 0.50 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 56.14 2jpi n LEU 87 Cb 0.40 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 2jpi n LEU 87 CO 1.00 0.00 1.58 -0.70 -1.51 0.00 0.00 177.39 177.76 2jpi s GLU 88 N 0.00 2.58 -0.05 3.23 2.12 -1.26 -4.91 118.70 120.41 2jpi s GLU 88 Ca 0.00 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.83 2jpi s GLU 88 Cb 0.00 -4.51 0.02 0.00 0.26 0.00 0.00 34.13 29.90 2jpi s GLU 88 CO 0.00 -2.88 -0.05 0.96 -0.54 0.00 0.00 175.26 172.75 2jpi s ILE 89 N 9.42 0.61 -0.41 -3.70 -0.00 -1.26 -4.81 121.20 121.04 2jpi s ILE 89 Ca 0.69 -0.15 -0.17 0.00 -0.00 0.00 0.00 60.65 61.02 2jpi s ILE 89 Cb -0.12 -0.63 0.02 0.00 -0.00 0.00 0.00 42.46 41.73 2jpi s ILE 89 CO 0.17 0.25 0.43 0.00 -0.00 0.00 0.00 174.94 175.78 2jpi s ALA 90 N 0.97 3.44 -0.10 2.27 0.00 -1.26 -5.02 121.76 122.06 2jpi s ALA 90 Ca -0.10 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 2jpi s ALA 90 Cb -0.14 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2jpi s ALA 90 CO -0.00 -1.52 0.40 1.67 0.00 0.00 0.00 175.76 176.31 2jpi s TRP 91 N 2.12 3.56 0.31 0.00 1.48 -1.26 -3.93 118.94 121.21 2jpi s TRP 91 Ca 0.12 0.83 -0.10 0.00 -1.06 0.00 0.00 56.10 55.89 2jpi s TRP 91 Cb -0.17 -2.41 -0.07 0.00 -1.16 0.00 0.00 33.47 29.66 2jpi s TRP 91 CO 0.13 0.33 0.64 -0.65 -4.06 0.00 0.00 176.95 173.34 2jpi s GLN 92 N 0.08 3.79 0.36 3.25 -0.21 -1.24 -4.97 119.66 120.72 2jpi s GLN 92 Ca 0.22 0.32 0.16 0.00 0.02 0.00 0.00 55.36 56.08 2jpi s GLN 92 Cb -0.15 -2.54 1.05 0.00 1.00 0.00 0.00 33.01 32.37 2jpi s GLN 92 CO 0.09 0.17 1.72 -1.35 -2.12 0.00 0.00 175.29 173.80 2jpi h PRO 93 N 1.94 0.40 -0.02 2.91 0.11 -1.94 -3.41 132.00 132.00 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jpi h PRO 93 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jpi h PRO 93 CO 0.66 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 2jpi n ALA 94 N -2.38 0.00 0.02 -0.75 0.00 -1.26 -4.82 120.51 111.33 2jpi n ALA 94 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2jpi n ALA 94 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.28 2jpi n ALA 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jpi n GLU 95 N -0.88 0.00 0.00 0.00 2.13 -1.24 -1.63 120.64 119.02 2jpi n GLU 95 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jpi n GLU 95 Cb 0.08 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 31.78 2jpi n GLU 95 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59