#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 2.78 -0.15 3.17 0.08 -0.73 -4.90 117.98 118.23 2jpi s PHE 2 Ca 0.00 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2jpi s PHE 2 Cb 0.00 -2.61 0.06 0.00 -0.57 0.00 0.00 43.02 39.91 2jpi s PHE 2 CO 0.00 -0.73 0.32 0.50 -0.10 0.00 0.00 175.22 175.21 2jpi s ARG 3 N -4.62 0.25 0.31 0.44 6.06 -0.65 -3.56 118.95 117.19 2jpi s ARG 3 Ca 0.57 0.76 0.09 0.00 -2.50 0.00 0.00 55.73 54.66 2jpi s ARG 3 Cb -0.10 0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.88 2jpi s ARG 3 CO 0.37 -0.22 -0.00 0.45 -2.50 0.00 0.00 175.30 173.39 2jpi s SER 4 N 1.97 4.26 -0.10 -2.12 0.15 -1.26 -3.55 113.70 113.06 2jpi s SER 4 Ca -0.04 -0.88 -0.05 0.00 0.70 0.00 0.00 55.95 55.68 2jpi s SER 4 Cb -0.11 -0.61 0.05 0.00 -1.71 0.00 0.00 66.02 63.64 2jpi s SER 4 CO -0.10 -0.15 0.22 0.42 1.20 0.00 0.00 173.24 174.83 2jpi s THR 5 N -2.46 -0.11 -0.15 6.45 -4.23 -1.26 -3.53 115.64 110.35 2jpi s THR 5 Ca 0.34 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 2jpi s THR 5 Cb -0.03 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2jpi s THR 5 CO 0.19 0.08 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.77 2jpi s SER 6 N 1.50 4.83 -0.14 3.99 0.15 -0.27 -3.70 113.70 120.06 2jpi s SER 6 Ca -0.07 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 2jpi s SER 6 Cb -0.11 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 2jpi s SER 6 CO -0.08 0.18 -0.12 -2.28 1.20 0.00 0.00 173.24 172.14 2jpi s HIS 7 N 0.32 2.84 0.03 3.44 2.46 -1.25 -1.14 115.29 121.99 2jpi s HIS 7 Ca -0.04 -0.62 -0.00 0.00 0.47 0.00 0.00 55.06 54.87 2jpi s HIS 7 Cb -0.14 -1.86 -0.03 0.00 -0.13 0.00 0.00 32.58 30.42 2jpi s HIS 7 CO 0.03 -0.21 -0.03 0.08 -2.47 0.00 0.00 174.74 172.14 2jpi s VAL 8 N 0.39 0.15 -0.46 0.89 1.01 -0.99 -4.26 120.40 117.13 2jpi s VAL 8 Ca -0.10 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 2jpi s VAL 8 Cb -0.16 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.60 2jpi s VAL 8 CO 0.05 -0.67 0.38 -0.13 0.00 0.00 0.00 175.10 174.73 2jpi s ARG 9 N -2.29 2.98 0.14 2.72 3.00 -1.26 -2.26 118.95 121.97 2jpi s ARG 9 Ca -0.08 -1.29 0.05 0.00 0.00 0.00 0.00 55.73 54.41 2jpi s ARG 9 Cb -0.04 -4.10 -0.04 0.00 0.00 0.00 0.00 34.95 30.77 2jpi s ARG 9 CO -0.04 -0.98 -0.12 -0.08 0.00 0.00 0.00 175.30 174.08 2jpi s THR 10 N 1.65 1.28 -0.00 0.02 -1.32 -1.06 -4.98 115.64 111.23 2jpi s THR 10 Ca 0.04 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 2jpi s THR 10 Cb -0.23 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 2jpi s THR 10 CO 0.07 -0.55 0.05 -1.61 -2.21 0.00 0.00 174.62 170.37 2jpi s GLU 11 N -3.12 2.95 -1.83 7.08 2.02 -1.26 -2.15 118.70 122.40 2jpi s GLU 11 Ca 0.12 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2jpi s GLU 11 Cb -0.02 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2jpi s GLU 11 CO 0.02 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.24 -5.52 -0.06 -0.19 2.88 0.46 -4.88 113.62 107.55 2jpi n SER 12 Ca -0.13 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jpi n SER 12 Cb 0.53 -4.69 -0.01 0.00 -0.75 0.00 0.00 64.21 59.28 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 0.71 -0.04 -1.14 -1.46 0.00 -1.70 -2.66 119.26 112.97 2jpi h ALA 13 Ca -0.45 0.09 0.33 0.00 0.00 0.00 0.00 54.91 54.88 2jpi h ALA 13 Cb 1.33 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2jpi h ALA 13 CO 0.57 -0.61 1.17 0.00 0.00 0.00 0.00 179.25 180.37 2jpi h ALA 14 N 0.93 3.05 0.24 0.00 0.00 -1.52 0.38 119.26 122.34 2jpi h ALA 14 Ca 0.14 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 2jpi h ALA 14 Cb 0.41 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2jpi h ALA 14 CO -0.37 -1.76 -1.53 -0.09 0.00 0.00 0.00 179.25 175.51 2jpi h ARG 15 N 0.00 0.51 0.00 0.00 1.12 -1.77 -2.66 114.38 111.58 2jpi h ARG 15 Ca 0.54 -0.87 -0.01 0.00 -1.11 0.00 0.00 59.98 58.53 2jpi h ARG 15 Cb 2.88 0.32 -0.00 0.00 -0.01 0.00 0.00 29.97 33.16 2jpi h ARG 15 CO -0.01 1.41 -0.04 1.88 -3.11 0.00 0.00 179.97 180.11 2jpi h TYR 16 N 0.12 0.00 0.18 2.20 0.05 -0.36 0.24 116.97 119.40 2jpi h TYR 16 Ca -0.28 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.25 2jpi h TYR 16 Cb 2.14 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.91 2jpi h TYR 16 CO 0.13 0.04 -1.14 0.28 -1.05 0.00 0.00 178.16 176.42 2jpi h VAL 17 N 0.00 1.37 0.00 -2.88 2.07 -1.49 -3.16 116.25 112.16 2jpi h VAL 17 Ca -0.00 -2.58 -0.10 0.00 0.82 0.00 0.00 66.70 64.83 2jpi h VAL 17 Cb 0.14 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2jpi h VAL 17 CO 0.01 0.76 -0.49 0.78 0.02 0.00 0.00 177.57 178.65 2jpi h ASN 18 N -0.16 0.00 1.64 0.57 -0.26 -0.95 -2.93 115.58 113.50 2jpi h ASN 18 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 2jpi h ASN 18 Cb 1.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.12 2jpi h ASN 18 CO 0.19 0.49 0.00 -0.09 -1.06 0.00 0.00 177.43 176.96 2jpi h ARG 19 N 0.00 0.00 -0.10 0.81 9.65 -0.66 -3.31 114.38 120.77 2jpi h ARG 19 Ca -0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2jpi h ARG 19 Cb 0.88 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2jpi h ARG 19 CO 0.06 0.00 -0.07 -0.07 2.80 0.00 0.00 179.97 182.70 2jpi h LEU 20 N 0.00 0.23 -1.72 3.80 3.38 -1.47 0.44 115.31 119.97 2jpi h LEU 20 Ca 0.00 -0.45 0.11 0.00 0.09 0.00 0.00 57.88 57.63 2jpi h LEU 20 Cb 0.82 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jpi h LEU 20 CO 0.00 0.63 0.38 0.00 0.09 0.00 0.00 178.44 179.54 2jpi h LYS 22 N 0.31 0.00 0.00 0.00 1.57 -1.66 -2.12 116.57 114.68 2jpi h LYS 22 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2jpi h LYS 22 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2jpi h LYS 22 CO -0.06 0.06 -0.24 1.25 -0.57 0.00 0.00 179.45 179.90 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.19 -3.40 115.15 113.36 2jpi h HIS 23 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2jpi h HIS 23 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2jpi h HIS 23 CO 0.00 0.00 -0.50 0.91 -1.30 0.00 0.00 177.93 177.04 2jpi n TRP 24 N -4.54 0.04 -0.76 5.26 7.02 0.12 -4.58 117.44 120.00 2jpi n TRP 24 Ca -0.03 0.01 -0.26 0.00 -1.02 0.00 0.00 57.50 56.20 2jpi n TRP 24 Cb 0.12 -0.29 -0.03 0.00 -2.42 0.00 0.00 31.31 28.70 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 1.49 2.80 0.05 6.99 0.00 -0.80 -3.95 105.19 111.76 2jpi n GLY 25 Ca 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.15 2jpi n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jpi n HIS 26 N 5.18 0.00 -2.02 1.61 8.25 -1.26 -4.78 115.22 122.19 2jpi n HIS 26 Ca 0.42 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2jpi n HIS 26 Cb 0.19 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 2jpi n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2jpi n LYS 27 N -2.38 0.00 -4.04 -0.41 0.00 -1.25 -5.11 118.16 104.97 2jpi n LYS 27 Ca -0.16 -0.65 -0.08 0.00 0.00 0.00 0.00 58.31 57.43 2jpi n LYS 27 Cb 0.80 -0.24 -0.10 0.00 0.00 0.00 0.00 35.03 35.49 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 0.40 -0.53 5.64 0.08 -1.26 -5.10 117.98 117.20 2jpi s PHE 28 Ca 0.02 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 55.97 2jpi s PHE 28 Cb 0.02 -0.29 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2jpi s PHE 28 CO -0.01 -0.30 1.38 -1.83 -0.10 0.00 0.00 175.22 174.36 2jpi s GLU 29 N -2.81 3.40 -0.24 0.44 1.03 -1.26 -4.70 118.70 114.56 2jpi s GLU 29 Ca -0.03 0.53 0.00 0.00 0.03 0.00 0.00 54.97 55.49 2jpi s GLU 29 Cb -0.00 -4.08 0.03 0.00 -0.80 0.00 0.00 34.13 29.28 2jpi s GLU 29 CO -0.06 -1.81 -0.10 0.14 -1.33 0.00 0.00 175.26 172.10 2jpi s VAL 30 N 5.74 2.54 0.00 1.83 -7.23 -1.25 -3.21 120.40 118.82 2jpi s VAL 30 Ca 0.53 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.36 2jpi s VAL 30 Cb -0.11 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 2jpi s VAL 30 CO 0.27 0.19 0.42 -1.61 -0.31 0.00 0.00 175.10 174.06 2jpi s GLU 31 N 1.26 3.95 -0.26 4.82 2.02 0.25 -4.91 118.70 125.82 2jpi s GLU 31 Ca -0.01 0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.44 2jpi s GLU 31 Cb -0.17 -3.23 0.07 0.00 0.10 0.00 0.00 34.13 30.90 2jpi s GLU 31 CO -0.06 0.67 -0.06 -1.17 0.02 0.00 0.00 175.26 174.66 2jpi s LEU 32 N -1.03 3.27 0.27 1.80 0.20 -1.26 -2.33 118.68 119.59 2jpi s LEU 32 Ca 0.24 -1.43 0.05 0.00 0.69 0.00 0.00 54.13 53.69 2jpi s LEU 32 Cb -0.17 -1.41 -0.06 0.00 -0.43 0.00 0.00 46.19 44.13 2jpi s LEU 32 CO 0.14 -0.24 -0.02 0.42 -0.29 0.00 0.00 176.35 176.36 2jpi s THR 33 N 1.20 1.37 -0.32 3.68 -4.23 -1.20 -5.03 115.64 111.10 2jpi s THR 33 Ca -0.05 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.33 2jpi s THR 33 Cb -0.19 -2.49 -0.22 0.00 1.34 0.00 0.00 72.50 70.93 2jpi s THR 33 CO -0.06 -0.25 3.33 -0.81 -0.54 0.00 0.00 174.62 176.29 2jpi n PRO 34 N -0.56 2.23 0.00 3.99 -0.04 -1.26 -3.26 135.00 136.10 2jpi n PRO 34 Ca -0.05 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 2jpi n PRO 34 Cb 0.64 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.77 0.00 -3.69 0.54 1.02 -1.26 -5.06 120.64 114.96 2jpi n GLU 35 Ca 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.60 2jpi n GLU 35 Cb 0.73 -0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.14 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 -1.01 0.84 -0.27 3.49 1.70 -1.20 -2.47 118.95 120.03 2jpi s ARG 36 Ca 0.00 -0.46 -0.06 0.00 -0.47 0.00 0.00 55.73 54.74 2jpi s ARG 36 Cb 0.00 0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2jpi s ARG 36 CO 0.00 -0.39 0.06 0.20 -1.08 0.00 0.00 175.30 174.09 2jpi s GLY 37 N -2.91 1.75 -0.25 3.88 0.00 -0.46 -3.27 107.32 106.05 2jpi s GLY 37 Ca 0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 2jpi s GLY 37 CO -0.01 0.58 0.18 -0.12 0.00 0.00 0.00 173.10 173.74 2jpi s PHE 38 N 1.53 3.28 -0.26 1.90 5.36 -0.98 -2.33 117.98 126.47 2jpi s PHE 38 Ca 0.04 0.20 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 2jpi s PHE 38 Cb -0.16 -2.33 0.09 0.00 -0.34 0.00 0.00 43.02 40.28 2jpi s PHE 38 CO 0.02 -0.03 0.09 0.42 -1.46 0.00 0.00 175.22 174.25 2jpi s ILE 39 N 1.36 0.52 -0.15 3.12 1.01 -1.03 -0.58 121.20 125.43 2jpi s ILE 39 Ca 0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2jpi s ILE 39 Cb -0.15 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2jpi s ILE 39 CO 0.07 -0.53 0.02 1.51 0.00 0.00 0.00 174.94 176.02 2jpi s ASP 40 N 1.82 5.35 -0.03 3.58 -4.77 -1.20 -1.08 116.67 120.34 2jpi s ASP 40 Ca 0.06 0.05 0.22 0.00 -3.30 0.00 0.00 52.55 49.58 2jpi s ASP 40 Cb -0.17 -1.81 0.68 0.00 -1.09 0.00 0.00 42.92 40.53 2jpi s ASP 40 CO -0.22 0.23 1.57 0.49 0.70 0.00 0.00 175.17 177.94 2jpi n PHE 41 N 3.16 1.13 0.00 2.11 3.01 -0.88 -4.26 117.46 121.73 2jpi n PHE 41 Ca -0.17 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 57.76 2jpi n PHE 41 Cb 0.53 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 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 1.57 1.29 2.35 1.37 0.00 -1.26 -4.72 105.19 105.79 2jpi n GLY 42 Ca 0.25 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 2jpi n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpi n ASP 43 N 0.11 6.90 0.00 1.61 2.03 -1.26 -4.78 116.55 121.16 2jpi n ASP 43 Ca 0.00 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.37 2jpi n ASP 43 Cb 0.00 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.05 2jpi n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jpi n SER 44 N 1.83 0.00 -3.88 1.67 3.41 -1.26 -4.39 113.62 110.99 2jpi n SER 44 Ca 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 2jpi n SER 44 Cb 0.52 0.00 -0.05 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 -0.15 -0.27 4.04 0.01 0.38 -2.06 114.94 116.87 2jpi s ASN 45 Ca 0.00 -0.72 -0.00 0.00 -0.71 0.00 0.00 52.86 51.42 2jpi s ASN 45 Cb 0.00 0.58 0.14 0.00 0.41 0.00 0.00 41.25 42.38 2jpi s ASN 45 CO 0.00 -1.10 0.35 0.00 -1.51 0.00 0.00 177.10 174.84 2jpi s GLU 47 N 2.47 3.29 -0.12 0.00 2.12 0.17 -2.48 118.70 124.15 2jpi s GLU 47 Ca 0.10 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.75 2jpi s GLU 47 Cb -0.14 -2.89 0.06 0.00 0.26 0.00 0.00 34.13 31.42 2jpi s GLU 47 CO -0.27 0.53 0.18 -1.17 -0.54 0.00 0.00 175.26 173.98 2jpi s LEU 48 N -3.06 -0.07 -0.08 2.70 2.96 -0.99 -2.42 118.68 117.73 2jpi s LEU 48 Ca 0.34 0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 54.19 2jpi s LEU 48 Cb -0.11 0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.82 2jpi s LEU 48 CO 0.27 -0.27 0.51 -0.22 -1.32 0.00 0.00 176.35 175.32 2jpi s LEU 49 N 2.30 4.33 -0.16 -0.68 2.96 0.33 -1.36 118.68 126.41 2jpi s LEU 49 Ca 0.04 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 2jpi s LEU 49 Cb -0.13 -2.76 0.07 0.00 0.50 0.00 0.00 46.19 43.87 2jpi s LEU 49 CO -0.08 0.05 0.18 0.00 -1.32 0.00 0.00 176.35 175.18 2jpi s ALA 50 N 0.27 -0.11 0.33 5.97 0.00 -1.03 0.11 121.76 127.29 2jpi s ALA 50 Ca 0.28 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.59 2jpi s ALA 50 Cb -0.16 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2jpi s ALA 50 CO 0.13 -0.97 0.09 -1.58 0.00 0.00 0.00 175.76 173.42 2jpi s HIS 51 N 2.28 2.68 0.62 0.00 2.46 0.25 -2.46 115.29 121.12 2jpi s HIS 51 Ca 0.05 -0.36 0.13 0.00 0.47 0.00 0.00 55.06 55.34 2jpi s HIS 51 Cb -0.14 -1.53 0.69 0.00 -0.13 0.00 0.00 32.58 31.47 2jpi s HIS 51 CO -0.09 0.42 1.37 -1.35 -2.47 0.00 0.00 174.74 172.62 2jpi h PRO 52 N 1.66 0.00 0.00 2.88 0.11 -1.91 -2.55 132.00 132.19 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 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 2jpi n ASP 53 N -2.60 0.00 -3.94 -2.05 9.92 -1.22 -0.40 116.55 116.25 2jpi n ASP 53 Ca -0.01 -0.97 -0.09 0.00 -0.53 0.00 0.00 54.79 53.20 2jpi n ASP 53 Cb 0.71 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.10 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2jpi s HIS 54 N 0.00 0.24 -0.00 1.24 -3.43 -0.91 -2.57 115.29 109.86 2jpi s HIS 54 Ca 0.00 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 2jpi s HIS 54 Cb 0.00 -0.17 0.01 0.00 -1.43 0.00 0.00 32.58 30.99 2jpi s HIS 54 CO 0.00 -0.39 0.00 0.54 -2.00 0.00 0.00 174.74 172.89 2jpi s VAL 55 N -3.01 0.01 0.07 -5.38 0.11 -0.96 0.85 120.40 112.09 2jpi s VAL 55 Ca -0.02 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.16 2jpi s VAL 55 Cb 0.01 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 2jpi s VAL 55 CO -0.06 0.02 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.71 2jpi s LEU 56 N 0.19 2.21 -0.19 2.54 1.43 0.29 -2.36 118.68 122.79 2jpi s LEU 56 Ca -0.02 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2jpi s LEU 56 Cb -0.02 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 45.00 2jpi s LEU 56 CO -0.01 0.23 -0.07 -0.04 0.23 0.00 0.00 176.35 176.70 2jpi s MET 57 N -1.45 1.65 -0.03 1.70 -1.94 -0.29 0.12 119.30 119.06 2jpi s MET 57 Ca 0.12 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.43 2jpi s MET 57 Cb -0.10 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 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 1.51 1.54 0.06 2.53 1.01 -1.02 -1.11 121.20 125.72 2jpi s ILE 58 Ca -0.01 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2jpi s ILE 58 Cb -0.16 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2jpi s ILE 58 CO -0.08 0.44 -0.23 -1.48 0.00 0.00 0.00 174.94 173.59 2jpi s LEU 59 N -0.24 2.19 -0.31 2.97 -0.00 -1.23 -0.65 118.68 121.40 2jpi s LEU 59 Ca 0.02 -0.58 0.03 0.00 -0.00 0.00 0.00 54.13 53.60 2jpi s LEU 59 Cb -0.10 -1.10 0.09 0.00 -0.00 0.00 0.00 46.19 45.09 2jpi s LEU 59 CO 0.01 0.19 0.01 0.20 -0.00 0.00 0.00 176.35 176.75 2jpi s ASN 60 N -1.34 4.56 -0.10 1.48 -0.87 -1.10 -4.15 114.94 113.43 2jpi s ASN 60 Ca 0.09 -1.87 -0.07 0.00 -1.57 0.00 0.00 52.86 49.45 2jpi s ASN 60 Cb -0.09 -1.51 0.03 0.00 -0.02 0.00 0.00 41.25 39.66 2jpi s ASN 60 CO 0.02 -0.33 0.24 -0.44 -2.57 0.00 0.00 177.10 174.03 2jpi s SER 61 N 1.04 -0.25 0.00 -1.22 0.01 -1.23 0.14 113.70 112.19 2jpi s SER 61 Ca 0.05 0.50 0.09 0.00 1.31 0.00 0.00 55.95 57.90 2jpi s SER 61 Cb -0.19 0.44 0.41 0.00 0.21 0.00 0.00 66.02 66.89 2jpi s SER 61 CO -0.09 -0.12 1.28 -0.81 0.41 0.00 0.00 173.24 173.91 2jpi n PRO 62 N 3.61 0.02 -4.00 12.44 -0.04 -1.26 -1.78 135.00 143.98 2jpi n PRO 62 Ca -0.19 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2jpi n PRO 62 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2jpi n PRO 62 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jpi s ASP 63 N -2.94 0.43 0.18 3.54 2.15 -1.26 -4.00 116.67 114.78 2jpi s ASP 63 Ca 0.05 -0.46 -0.11 0.00 0.43 0.00 0.00 52.55 52.46 2jpi s ASP 63 Cb 0.06 0.06 0.10 0.00 -0.30 0.00 0.00 42.92 42.84 2jpi s ASP 63 CO 0.17 -0.23 1.77 -0.08 -0.17 0.00 0.00 175.17 176.63 2jpi h GLU 64 N 4.78 0.93 -0.31 4.34 4.81 -1.97 0.82 114.58 127.99 2jpi h GLU 64 Ca -0.32 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 58.83 2jpi h GLU 64 Cb 1.21 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 2jpi h GLU 64 CO 0.42 0.75 -0.31 0.22 -0.73 0.00 0.00 179.01 179.36 2jpi h ASP 65 N 0.89 -1.02 0.64 1.04 1.82 -1.97 1.16 116.42 118.98 2jpi h ASP 65 Ca 0.22 0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 57.00 2jpi h ASP 65 Cb 0.13 0.47 0.01 0.00 0.68 0.00 0.00 39.33 40.61 2jpi h ASP 65 CO -0.03 -0.32 -0.31 0.28 -1.61 0.00 0.00 179.24 177.24 2jpi h SER 66 N -0.29 -0.75 -0.94 2.28 0.02 -1.89 0.83 113.55 112.82 2jpi h SER 66 Ca 0.15 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2jpi h SER 66 Cb 0.53 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 63.15 2jpi h SER 66 CO -0.47 -0.53 -0.57 0.25 -1.14 0.00 0.00 176.83 174.38 2jpi h LEU 67 N -0.87 -2.07 -0.98 5.07 6.46 0.19 0.38 115.31 123.49 2jpi h LEU 67 Ca -0.09 0.31 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2jpi h LEU 67 Cb 0.67 0.91 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2jpi h LEU 67 CO 0.14 -0.23 -0.09 0.00 -0.62 0.00 0.00 178.44 177.64 2jpi h ALA 68 N 0.42 1.15 -0.92 1.25 0.00 0.14 -1.24 119.26 120.06 2jpi h ALA 68 Ca 0.15 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2jpi h ALA 68 Cb 0.40 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2jpi h ALA 68 CO -0.89 0.54 0.59 1.25 0.00 0.00 0.00 179.25 180.74 2jpi h HIS 69 N 0.59 0.92 0.01 0.00 -0.00 0.22 0.22 115.15 117.10 2jpi h HIS 69 Ca 0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2jpi h HIS 69 Cb 0.50 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2jpi h HIS 69 CO 0.02 0.36 -0.00 0.52 -0.00 0.00 0.00 177.93 178.82 2jpi h MET 70 N 0.79 -0.01 -0.38 5.26 2.86 -0.25 -2.45 114.93 120.76 2jpi h MET 70 Ca 0.46 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.21 2jpi h MET 70 Cb 0.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2jpi h MET 70 CO -0.22 0.23 0.34 -0.56 1.06 0.00 0.00 176.91 177.76 2jpi h GLN 71 N -1.00 0.00 0.13 1.72 3.07 -1.09 -1.80 115.11 116.14 2jpi h GLN 71 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 2jpi h GLN 71 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.81 2jpi h GLN 71 CO 0.00 0.00 -0.99 -0.97 0.09 0.00 0.00 178.83 176.96 2jpi h ASN 72 N 0.00 0.42 -0.95 0.06 -0.73 -0.67 -3.21 115.58 110.50 2jpi h ASN 72 Ca 0.18 -0.91 0.29 0.00 1.87 0.00 0.00 56.30 57.73 2jpi h ASN 72 Cb 0.85 -0.14 -0.15 0.00 0.27 0.00 0.00 38.32 39.16 2jpi h ASN 72 CO -0.00 1.45 0.39 0.58 -0.37 0.00 0.00 177.43 179.48 2jpi h VAL 73 N -0.39 0.27 -0.15 2.57 2.07 -0.82 0.28 116.25 120.08 2jpi h VAL 73 Ca -0.19 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2jpi h VAL 73 Cb 1.65 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2jpi h VAL 73 CO 0.11 0.04 -0.13 0.58 0.02 0.00 0.00 177.57 178.19 2jpi h VAL 74 N 0.23 1.34 -0.82 2.57 2.07 -1.64 -2.74 116.25 117.26 2jpi h VAL 74 Ca 0.66 -1.27 0.24 0.00 0.82 0.00 0.00 66.70 67.14 2jpi h VAL 74 Cb 1.45 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 2jpi h VAL 74 CO -0.66 0.37 0.72 0.00 0.02 0.00 0.00 177.57 178.03 2jpi h ALA 75 N 0.62 2.66 0.02 1.67 0.00 -0.48 0.69 119.26 124.45 2jpi h ALA 75 Ca 0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 75 Cb 0.65 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jpi h ALA 75 CO 0.03 -1.14 -0.96 0.22 0.00 0.00 0.00 179.25 177.40 2jpi h ASP 76 N 0.00 0.81 -0.83 0.00 1.82 -1.04 -3.16 116.42 114.02 2jpi h ASP 76 Ca 0.39 -0.76 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 2jpi h ASP 76 Cb 1.83 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 41.55 2jpi h ASP 76 CO -0.00 1.47 0.52 0.45 -1.61 0.00 0.00 179.24 180.07 2jpi h HIS 77 N 0.24 1.08 0.00 0.28 3.86 0.56 -1.46 115.15 119.70 2jpi h HIS 77 Ca -0.13 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2jpi h HIS 77 Cb 1.63 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 2jpi h HIS 77 CO 0.12 0.70 -0.01 -0.07 0.86 0.00 0.00 177.93 179.53 2jpi h LEU 78 N 1.13 0.00 0.41 2.43 3.38 -1.45 -3.18 115.31 118.04 2jpi h LEU 78 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2jpi h LEU 78 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jpi h LEU 78 CO -0.06 0.01 -0.20 1.56 0.09 0.00 0.00 178.44 179.84 2jpi h GLN 79 N 0.00 -0.53 -0.71 1.13 1.08 -1.23 -2.64 115.11 112.21 2jpi h GLN 79 Ca -0.00 0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.41 2jpi h GLN 79 Cb 0.43 0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 2jpi h GLN 79 CO 0.00 -0.35 0.49 0.07 -0.95 0.00 0.00 178.83 178.09 2jpi h ARG 80 N -1.03 0.21 0.00 1.46 0.11 -1.58 0.26 114.38 113.82 2jpi h ARG 80 Ca -0.06 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2jpi h ARG 80 Cb 0.42 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2jpi h ARG 80 CO 0.09 0.14 0.00 0.00 0.10 0.00 0.00 179.97 180.30 2jpi h MET 81 N 0.21 0.00 -2.51 0.08 -0.00 -1.61 -3.37 114.93 107.74 2jpi h MET 81 Ca 0.35 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 59.45 2jpi h MET 81 Cb 1.05 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 32.25 2jpi h MET 81 CO -0.07 0.00 -0.76 0.00 -0.00 0.00 0.00 176.91 176.08 2jpi n ALA 82 N -1.83 3.28 -1.94 -3.00 0.00 0.93 -5.08 120.51 112.87 2jpi n ALA 82 Ca 0.05 -4.06 -0.43 0.00 0.00 0.00 0.00 53.44 49.00 2jpi n ALA 82 Cb 0.44 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2jpi n ALA 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jpi s ASN 83 N -1.31 5.93 0.00 0.00 3.84 -1.22 -4.19 114.94 118.00 2jpi s ASN 83 Ca 0.32 1.51 0.00 0.00 0.21 0.00 0.00 52.86 54.90 2jpi s ASN 83 Cb 0.06 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 2jpi s ASN 83 CO -0.13 -1.64 0.00 -1.54 -2.79 0.00 0.00 177.10 171.00 2jpi n SER 84 N 10.07 0.00 -4.46 -4.21 3.41 -1.26 -5.15 113.62 112.01 2jpi n SER 84 Ca 0.23 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 2jpi n SER 84 Cb 0.46 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 2jpi n SER 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jpi s GLU 85 N 0.00 1.63 -0.92 4.33 1.03 -1.26 -5.03 118.70 118.48 2jpi s GLU 85 Ca 0.00 -1.85 -0.21 0.00 0.03 0.00 0.00 54.97 52.94 2jpi s GLU 85 Cb 0.00 -1.19 -0.12 0.00 -0.80 0.00 0.00 34.13 32.03 2jpi s GLU 85 CO 0.00 -0.00 1.97 0.45 -1.33 0.00 0.00 175.26 176.35 2jpi n SER 86 N -0.65 2.83 -0.39 0.83 2.88 -1.26 -4.72 113.62 113.12 2jpi n SER 86 Ca -0.05 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.78 2jpi n SER 86 Cb 0.64 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpi n LEU 87 N 7.73 -0.32 -4.55 2.46 7.99 -1.26 -4.63 117.00 124.42 2jpi n LEU 87 Ca 0.50 0.16 -0.37 0.00 -0.01 0.00 0.00 56.01 56.29 2jpi n LEU 87 Cb 0.41 -0.24 -0.03 0.00 -0.11 0.00 0.00 43.42 43.44 2jpi n LEU 87 CO 0.99 -0.33 1.54 -0.70 -1.51 0.00 0.00 177.39 177.38 2jpi s GLU 88 N 0.00 2.66 -0.06 3.23 2.12 -1.26 -4.92 118.70 120.47 2jpi s GLU 88 Ca 0.00 0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.73 2jpi s GLU 88 Cb 0.00 -4.50 0.02 0.00 0.26 0.00 0.00 34.13 29.91 2jpi s GLU 88 CO 0.00 -2.81 -0.07 0.96 -0.54 0.00 0.00 175.26 172.81 2jpi s ILE 89 N 9.02 0.74 -0.41 -3.70 -0.00 -1.26 -4.81 121.20 120.77 2jpi s ILE 89 Ca 0.66 -0.22 -0.17 0.00 -0.00 0.00 0.00 60.65 60.92 2jpi s ILE 89 Cb -0.11 -0.74 0.02 0.00 -0.00 0.00 0.00 42.46 41.63 2jpi s ILE 89 CO 0.16 0.28 0.41 0.00 -0.00 0.00 0.00 174.94 175.79 2jpi s ALA 90 N 0.99 3.44 -0.10 2.27 0.00 -1.26 -5.02 121.76 122.08 2jpi s ALA 90 Ca -0.09 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 2jpi s ALA 90 Cb -0.14 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2jpi s ALA 90 CO -0.00 -1.51 0.40 1.67 0.00 0.00 0.00 175.76 176.32 2jpi s TRP 91 N 2.07 3.56 0.30 0.00 1.48 -1.26 -3.94 118.94 121.15 2jpi s TRP 91 Ca 0.11 0.83 -0.09 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 0.32 0.64 -0.65 -4.06 0.00 0.00 176.95 173.33 2jpi s GLN 92 N 0.09 3.78 0.37 3.25 -0.21 -1.24 -4.97 119.66 120.73 2jpi s GLN 92 Ca 0.23 0.32 0.16 0.00 0.02 0.00 0.00 55.36 56.09 2jpi s GLN 92 Cb -0.15 -2.55 1.08 0.00 1.00 0.00 0.00 33.01 32.39 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 1.95 0.38 -0.05 2.91 0.11 -1.95 -3.41 132.00 131.94 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 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2jpi n ALA 94 N -2.39 0.00 -3.50 -0.75 0.00 -1.26 -4.81 120.51 107.80 2jpi n ALA 94 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 2jpi n ALA 94 Cb 0.93 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 20.17 2jpi n ALA 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jpi s GLU 95 N -1.12 0.02 0.00 0.00 2.56 -1.23 -1.63 118.70 117.30 2jpi s GLU 95 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.17 2jpi s GLU 95 Cb 0.00 -0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.98 2jpi s GLU 95 CO 0.00 -0.12 0.00 0.43 -0.56 0.00 0.00 175.26 175.01