#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 -0.15 3.17 0.08 0.09 -4.91 117.98 119.03 2jpi s PHE 2 Ca 0.00 -0.42 -0.06 0.00 0.12 0.00 0.00 56.93 56.57 2jpi s PHE 2 Cb 0.00 -2.35 0.06 0.00 -0.57 0.00 0.00 43.02 40.16 2jpi s PHE 2 CO 0.00 -0.40 0.32 0.50 -0.10 0.00 0.00 175.22 175.54 2jpi s ARG 3 N -4.33 0.25 0.31 0.44 6.06 -0.52 -3.48 118.95 117.67 2jpi s ARG 3 Ca 0.54 0.76 0.09 0.00 -2.50 0.00 0.00 55.73 54.62 2jpi s ARG 3 Cb -0.09 0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.89 2jpi s ARG 3 CO 0.33 -0.22 0.02 0.45 -2.50 0.00 0.00 175.30 173.38 2jpi s SER 4 N 1.93 4.39 -0.11 -2.12 0.15 -1.26 -4.07 113.70 112.62 2jpi s SER 4 Ca -0.04 -0.82 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 2jpi s SER 4 Cb -0.11 -0.67 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 2jpi s SER 4 CO -0.10 -0.15 0.23 0.42 1.20 0.00 0.00 173.24 174.83 2jpi s THR 5 N -2.43 -0.20 -0.15 6.45 -4.23 -1.26 -3.53 115.64 110.30 2jpi s THR 5 Ca 0.34 0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2jpi s THR 5 Cb -0.03 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 2jpi s THR 5 CO 0.20 0.09 -0.01 -0.55 -0.54 0.00 0.00 174.62 173.82 2jpi s SER 6 N 1.79 5.07 -0.12 3.99 0.15 -0.27 -3.83 113.70 120.48 2jpi s SER 6 Ca -0.04 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.58 2jpi s SER 6 Cb -0.11 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.39 2jpi s SER 6 CO -0.08 0.20 -0.17 -2.28 1.20 0.00 0.00 173.24 172.11 2jpi s HIS 7 N 0.21 2.72 0.03 3.44 2.46 -1.26 -1.15 115.29 121.74 2jpi s HIS 7 Ca -0.00 -0.80 -0.01 0.00 0.47 0.00 0.00 55.06 54.72 2jpi s HIS 7 Cb -0.13 -1.79 -0.03 0.00 -0.13 0.00 0.00 32.58 30.50 2jpi s HIS 7 CO 0.02 -0.29 -0.02 0.08 -2.47 0.00 0.00 174.74 172.06 2jpi s VAL 8 N 0.35 0.15 -0.46 0.89 1.01 -1.03 -4.31 120.40 116.99 2jpi s VAL 8 Ca -0.14 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 2jpi s VAL 8 Cb -0.17 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.57 2jpi s VAL 8 CO 0.07 -0.66 0.40 -0.13 0.00 0.00 0.00 175.10 174.78 2jpi s ARG 9 N -2.31 2.99 0.13 2.72 3.00 -1.26 -2.32 118.95 121.91 2jpi s ARG 9 Ca -0.08 -1.26 0.05 0.00 0.00 0.00 0.00 55.73 54.45 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 -1.00 -0.12 -0.08 0.00 0.00 0.00 175.30 174.06 2jpi s THR 10 N 1.73 1.28 0.00 0.02 -1.32 -1.09 -4.98 115.64 111.29 2jpi s THR 10 Ca 0.05 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2jpi s THR 10 Cb -0.23 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jpi s THR 10 CO 0.08 -0.55 0.07 -1.61 -2.21 0.00 0.00 174.62 170.40 2jpi s GLU 11 N -3.10 3.01 -1.88 7.08 2.02 -1.26 -2.06 118.70 122.51 2jpi s GLU 11 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.59 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 0.02 0.64 0.00 0.45 0.02 0.00 0.00 175.26 176.39 2jpi n SER 12 N 1.17 -5.61 -0.05 -0.19 2.88 0.43 -4.89 113.62 107.37 2jpi n SER 12 Ca -0.13 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 2jpi n SER 12 Cb 0.53 -4.78 -0.02 0.00 -0.75 0.00 0.00 64.21 59.19 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 0.67 -0.14 -1.52 -1.46 0.00 -1.70 -2.72 119.26 112.39 2jpi h ALA 13 Ca -0.46 0.07 0.44 0.00 0.00 0.00 0.00 54.91 54.97 2jpi h ALA 13 Cb 1.34 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 2jpi h ALA 13 CO 0.58 -0.67 1.25 0.00 0.00 0.00 0.00 179.25 180.41 2jpi h ALA 14 N 0.78 3.43 0.22 0.00 0.00 -1.50 0.29 119.26 122.49 2jpi h ALA 14 Ca 0.13 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 14 Cb 0.46 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.39 2jpi h ALA 14 CO -0.38 -2.04 -1.44 -0.09 0.00 0.00 0.00 179.25 175.30 2jpi h ARG 15 N 0.00 0.47 0.00 0.00 1.12 -1.77 -2.73 114.38 111.47 2jpi h ARG 15 Ca 0.72 -0.81 -0.01 0.00 -1.11 0.00 0.00 59.98 58.78 2jpi h ARG 15 Cb 3.22 0.30 -0.00 0.00 -0.01 0.00 0.00 29.97 33.48 2jpi h ARG 15 CO -0.01 1.39 -0.03 1.88 -3.11 0.00 0.00 179.97 180.08 2jpi h TYR 16 N 0.05 0.00 0.14 2.20 0.05 -0.52 0.35 116.97 119.23 2jpi h TYR 16 Ca -0.26 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.27 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 -1.05 0.28 -1.05 0.00 0.00 178.16 176.50 2jpi h VAL 17 N 0.00 1.38 -0.00 -2.88 2.07 -1.45 -3.04 116.25 112.33 2jpi h VAL 17 Ca -0.00 -2.48 -0.11 0.00 0.82 0.00 0.00 66.70 64.93 2jpi h VAL 17 Cb 0.12 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2jpi h VAL 17 CO 0.00 0.73 -0.52 0.78 0.02 0.00 0.00 177.57 178.58 2jpi h ASN 18 N -0.03 0.01 1.75 0.57 2.35 -0.88 -2.97 115.58 116.38 2jpi h ASN 18 Ca -0.17 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jpi h ASN 18 Cb 1.79 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.16 2jpi h ASN 18 CO 0.20 0.52 0.00 -0.09 -1.65 0.00 0.00 177.43 176.42 2jpi h ARG 19 N 0.00 0.00 -0.09 0.81 9.65 -0.43 -3.32 114.38 121.00 2jpi h ARG 19 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2jpi h ARG 19 Cb 0.92 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2jpi h ARG 19 CO 0.07 0.00 -0.04 -0.07 2.80 0.00 0.00 179.97 182.73 2jpi h LEU 20 N 0.00 0.19 -1.16 3.80 3.38 -1.39 0.52 115.31 120.64 2jpi h LEU 20 Ca 0.00 -0.41 0.12 0.00 0.09 0.00 0.00 57.88 57.68 2jpi h LEU 20 Cb 0.87 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 2jpi h LEU 20 CO 0.00 0.56 0.59 0.00 0.09 0.00 0.00 178.44 179.68 2jpi h LYS 22 N 0.87 0.00 0.00 0.00 1.57 -1.67 -1.32 116.57 116.02 2jpi h LYS 22 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 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 -0.21 0.08 -0.22 1.25 -0.57 0.00 0.00 179.45 179.77 2jpi h HIS 23 N 0.00 0.00 0.00 -1.35 2.76 0.19 -3.40 115.15 113.35 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 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2jpi h HIS 23 CO 0.00 0.00 -0.42 0.91 -1.30 0.00 0.00 177.93 177.12 2jpi n TRP 24 N -4.42 0.17 -0.79 5.26 5.03 0.20 -4.56 117.44 118.32 2jpi n TRP 24 Ca -0.03 0.05 -0.28 0.00 3.03 0.00 0.00 57.50 60.26 2jpi n TRP 24 Cb 0.12 -0.42 -0.03 0.00 -1.03 0.00 0.00 31.31 29.94 2jpi n TRP 24 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jpi n GLY 25 N 1.45 2.67 0.03 6.99 0.00 -0.50 -3.98 105.19 111.85 2jpi n GLY 25 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 5.63 0.00 -1.97 1.61 8.25 -1.26 -4.78 115.22 122.70 2jpi n HIS 26 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2jpi n HIS 26 Cb 0.22 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.19 0.00 -4.13 -0.41 0.00 -1.26 -5.12 118.16 105.05 2jpi n LYS 27 Ca -0.11 -0.48 -0.09 0.00 0.00 0.00 0.00 58.31 57.63 2jpi n LYS 27 Cb 0.64 -0.25 -0.10 0.00 0.00 0.00 0.00 35.03 35.33 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 0.76 -0.44 5.64 0.08 -1.26 -5.11 117.98 117.65 2jpi s PHE 28 Ca 0.00 -1.18 -0.27 0.00 0.12 0.00 0.00 56.93 55.59 2jpi s PHE 28 Cb 0.00 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 42.02 2jpi s PHE 28 CO 0.00 -0.48 1.03 -1.83 -0.10 0.00 0.00 175.22 173.84 2jpi s GLU 29 N -4.01 3.72 -0.20 0.44 -1.05 -1.26 -4.75 118.70 111.59 2jpi s GLU 29 Ca 0.19 0.50 0.01 0.00 -0.15 0.00 0.00 54.97 55.52 2jpi s GLU 29 Cb 0.08 -3.88 0.04 0.00 -0.44 0.00 0.00 34.13 29.93 2jpi s GLU 29 CO -0.02 -1.21 -0.13 0.14 0.95 0.00 0.00 175.26 174.99 2jpi s VAL 30 N 4.00 1.81 0.31 1.83 -7.23 -1.25 -2.60 120.40 117.26 2jpi s VAL 30 Ca 0.43 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2jpi s VAL 30 Cb -0.09 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2jpi s VAL 30 CO 0.26 0.23 0.56 -0.70 -0.31 0.00 0.00 175.10 175.14 2jpi s GLU 31 N 1.33 3.58 -0.20 4.82 2.12 0.55 -4.92 118.70 125.99 2jpi s GLU 31 Ca -0.01 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.19 2jpi s GLU 31 Cb -0.16 -2.65 0.07 0.00 0.26 0.00 0.00 34.13 31.65 2jpi s GLU 31 CO -0.09 0.18 0.07 -1.17 -0.54 0.00 0.00 175.26 173.72 2jpi s LEU 32 N -3.81 0.76 0.21 2.70 0.20 -1.26 -2.91 118.68 114.57 2jpi s LEU 32 Ca 0.43 -0.80 0.06 0.00 0.69 0.00 0.00 54.13 54.51 2jpi s LEU 32 Cb -0.10 -0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 45.20 2jpi s LEU 32 CO 0.32 -0.35 -0.10 0.42 -0.29 0.00 0.00 176.35 176.36 2jpi s THR 33 N 2.01 1.52 0.00 3.68 -4.23 -1.16 -5.02 115.64 112.43 2jpi s THR 33 Ca 0.02 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.34 2jpi s THR 33 Cb -0.16 -2.11 -0.20 0.00 1.34 0.00 0.00 72.50 71.37 2jpi s THR 33 CO -0.12 -0.54 2.89 -0.81 -0.54 0.00 0.00 174.62 175.50 2jpi n PRO 34 N -0.38 1.54 0.00 3.99 -0.04 -1.26 -2.94 135.00 135.90 2jpi n PRO 34 Ca -0.08 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2jpi n PRO 34 Cb 0.61 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.50 0.00 -3.69 0.54 -0.58 -1.26 -5.05 120.64 113.10 2jpi n GLU 35 Ca 0.31 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.04 2jpi n GLU 35 Cb 0.71 -0.08 -0.01 0.00 -0.57 0.00 0.00 31.44 31.49 2jpi n GLU 35 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2jpi s ARG 36 N -1.00 0.85 -0.22 3.49 3.03 -1.15 -2.32 118.95 121.62 2jpi s ARG 36 Ca 0.00 -0.46 -0.05 0.00 2.03 0.00 0.00 55.73 57.25 2jpi s ARG 36 Cb 0.00 0.29 -0.02 0.00 -1.03 0.00 0.00 34.95 34.20 2jpi s ARG 36 CO 0.00 -0.39 -0.01 0.20 -1.13 0.00 0.00 175.30 173.97 2jpi s GLY 37 N -2.92 1.66 -0.29 3.88 0.00 -0.37 -3.00 107.32 106.27 2jpi s GLY 37 Ca 0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 2jpi s GLY 37 CO -0.01 0.42 0.21 -0.12 0.00 0.00 0.00 173.10 173.60 2jpi s PHE 38 N 1.44 3.22 -0.19 1.90 5.36 -1.14 -1.95 117.98 126.62 2jpi s PHE 38 Ca 0.05 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 2jpi s PHE 38 Cb -0.14 -2.40 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2jpi s PHE 38 CO -0.01 -0.20 -0.00 0.42 -1.46 0.00 0.00 175.22 173.97 2jpi s ILE 39 N 1.77 0.87 -0.20 3.12 1.01 -0.80 -0.33 121.20 126.63 2jpi s ILE 39 Ca 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2jpi s ILE 39 Cb -0.16 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2jpi s ILE 39 CO 0.11 -0.09 0.05 -0.62 0.00 0.00 0.00 174.94 174.39 2jpi s ASP 40 N 1.71 5.35 0.26 3.58 -1.08 -1.07 -0.94 116.67 124.48 2jpi s ASP 40 Ca -0.01 -0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.19 2jpi s ASP 40 Cb -0.17 -1.93 0.21 0.00 -1.46 0.00 0.00 42.92 39.57 2jpi s ASP 40 CO -0.07 0.09 1.30 0.15 0.52 0.00 0.00 175.17 177.16 2jpi h PHE 41 N 7.28 0.00 0.00 -5.34 3.04 -1.92 -3.34 116.94 116.66 2jpi h PHE 41 Ca -0.36 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.59 2jpi h PHE 41 Cb 1.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.68 2jpi h PHE 41 CO 0.60 0.00 0.00 0.41 -2.02 0.00 0.00 178.31 177.30 2jpi n GLY 42 N 1.19 0.22 2.53 2.40 0.00 -1.26 -4.95 105.19 105.32 2jpi n GLY 42 Ca 0.02 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 7.75 0.00 1.61 -0.08 -1.26 -4.86 116.55 119.71 2jpi n ASP 43 Ca 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 2jpi n ASP 43 Cb 0.00 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.16 2jpi n ASP 43 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jpi n SER 44 N 1.17 0.00 -3.73 1.67 2.88 -1.26 -4.25 113.62 110.10 2jpi n SER 44 Ca 0.58 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.09 2jpi n SER 44 Cb 0.28 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.72 2jpi n SER 44 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2jpi s ASN 45 N -4.00 -0.16 -0.28 -3.46 0.01 0.48 -4.27 114.94 103.26 2jpi s ASN 45 Ca 0.00 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2jpi s ASN 45 Cb 0.00 0.44 0.16 0.00 0.41 0.00 0.00 41.25 42.26 2jpi s ASN 45 CO 0.00 -0.80 0.43 0.00 -1.51 0.00 0.00 177.10 175.22 2jpi s GLU 47 N 2.58 3.25 -0.10 0.00 2.12 0.00 -1.90 118.70 124.65 2jpi s GLU 47 Ca 0.11 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 2jpi s GLU 47 Cb -0.13 -2.87 0.05 0.00 0.26 0.00 0.00 34.13 31.44 2jpi s GLU 47 CO -0.27 0.53 0.08 -1.17 -0.54 0.00 0.00 175.26 173.89 2jpi s LEU 48 N -3.02 0.21 -0.08 2.70 2.96 -0.82 -2.46 118.68 118.17 2jpi s LEU 48 Ca 0.33 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.83 2jpi s LEU 48 Cb -0.11 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 2jpi s LEU 48 CO 0.26 -0.29 0.56 -0.22 -1.32 0.00 0.00 176.35 175.34 2jpi s LEU 49 N 2.17 4.32 -0.15 -0.68 2.96 0.33 -1.24 118.68 126.38 2jpi s LEU 49 Ca 0.04 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 2jpi s LEU 49 Cb -0.14 -2.84 0.07 0.00 0.50 0.00 0.00 46.19 43.78 2jpi s LEU 49 CO -0.06 -0.00 0.17 0.00 -1.32 0.00 0.00 176.35 175.13 2jpi s ALA 50 N 0.48 -0.06 0.33 5.97 0.00 -0.98 0.12 121.76 127.62 2jpi s ALA 50 Ca 0.30 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.58 2jpi s ALA 50 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2jpi s ALA 50 CO 0.14 -0.96 0.12 -1.58 0.00 0.00 0.00 175.76 173.48 2jpi s HIS 51 N 2.27 2.70 0.62 0.00 2.46 0.28 -2.35 115.29 121.27 2jpi s HIS 51 Ca 0.04 -0.37 0.14 0.00 0.47 0.00 0.00 55.06 55.35 2jpi s HIS 51 Cb -0.14 -1.59 0.78 0.00 -0.13 0.00 0.00 32.58 31.49 2jpi s HIS 51 CO -0.09 0.37 1.43 -1.35 -2.47 0.00 0.00 174.74 172.63 2jpi h PRO 52 N 1.59 0.00 0.00 2.88 0.11 -1.91 -2.53 132.00 132.14 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 -2.63 0.00 -3.87 -2.05 8.00 -1.21 -0.42 116.55 114.36 2jpi n ASP 53 Ca -0.01 -1.00 -0.10 0.00 0.71 0.00 0.00 54.79 54.40 2jpi n ASP 53 Cb 0.68 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 2jpi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jpi s HIS 54 N 0.00 0.13 -0.01 1.24 -3.43 -0.87 -2.65 115.29 109.69 2jpi s HIS 54 Ca 0.00 -0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 53.80 2jpi s HIS 54 Cb 0.00 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 2jpi s HIS 54 CO 0.00 -0.46 0.03 0.54 -2.00 0.00 0.00 174.74 172.86 2jpi s VAL 55 N -3.09 -0.01 0.07 -5.38 0.11 -0.98 1.00 120.40 112.12 2jpi s VAL 55 Ca -0.01 0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.18 2jpi s VAL 55 Cb 0.01 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.77 2jpi s VAL 55 CO -0.07 0.02 -0.26 -0.76 -3.33 0.00 0.00 175.10 170.70 2jpi s LEU 56 N 0.22 2.20 -0.19 2.54 1.43 0.33 -2.47 118.68 122.75 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 -0.03 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 44.99 2jpi s LEU 56 CO -0.01 0.23 -0.06 -0.04 0.23 0.00 0.00 176.35 176.71 2jpi s MET 57 N -1.44 1.58 -0.03 1.70 -1.94 -0.30 0.12 119.30 118.99 2jpi s MET 57 Ca 0.12 -0.68 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 2jpi s MET 57 Cb -0.10 -2.22 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 2jpi s MET 57 CO 0.03 -0.47 -0.18 0.42 -0.01 0.00 0.00 175.02 174.81 2jpi s ILE 58 N 1.54 1.44 0.07 2.53 1.01 -1.03 -1.11 121.20 125.65 2jpi s ILE 58 Ca -0.01 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.97 2jpi s ILE 58 Cb -0.16 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 2jpi s ILE 58 CO -0.08 0.41 -0.22 -1.48 0.00 0.00 0.00 174.94 173.57 2jpi s LEU 59 N -0.23 2.23 -0.32 2.97 -0.00 -1.23 -0.82 118.68 121.28 2jpi s LEU 59 Ca 0.03 -0.61 0.04 0.00 -0.00 0.00 0.00 54.13 53.58 2jpi s LEU 59 Cb -0.09 -1.01 0.09 0.00 -0.00 0.00 0.00 46.19 45.18 2jpi s LEU 59 CO 0.00 0.14 0.01 0.20 -0.00 0.00 0.00 176.35 176.71 2jpi s ASN 60 N -1.52 4.68 -0.03 1.48 0.01 -1.05 -4.17 114.94 114.34 2jpi s ASN 60 Ca 0.08 -1.96 -0.03 0.00 -0.71 0.00 0.00 52.86 50.24 2jpi s ASN 60 Cb -0.09 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 39.97 2jpi s ASN 60 CO 0.03 -0.33 0.09 -0.44 -1.51 0.00 0.00 177.10 174.94 2jpi s SER 61 N 0.96 -0.08 0.00 -1.22 0.01 -1.23 0.18 113.70 112.33 2jpi s SER 61 Ca 0.06 0.13 0.27 0.00 1.31 0.00 0.00 55.95 57.73 2jpi s SER 61 Cb -0.19 0.19 1.38 0.00 0.21 0.00 0.00 66.02 67.61 2jpi s SER 61 CO -0.07 -0.07 1.94 -0.81 0.41 0.00 0.00 173.24 174.64 2jpi n PRO 62 N 2.85 0.38 -3.88 12.44 -0.04 -1.26 -0.73 135.00 144.76 2jpi n PRO 62 Ca -0.14 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2jpi n PRO 62 Cb 0.59 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.58 0.01 0.22 3.54 2.15 -1.26 -4.09 116.67 114.65 2jpi s ASP 63 Ca 0.26 -0.06 -0.09 0.00 0.43 0.00 0.00 52.55 53.09 2jpi s ASP 63 Cb 0.18 0.17 0.24 0.00 -0.30 0.00 0.00 42.92 43.22 2jpi s ASP 63 CO 0.42 -0.17 1.84 -0.33 -0.17 0.00 0.00 175.17 176.76 2jpi h GLU 64 N 5.29 0.83 -0.47 4.34 3.07 -1.97 0.78 114.58 126.45 2jpi h GLU 64 Ca -0.28 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.62 2jpi h GLU 64 Cb 1.20 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.83 2jpi h GLU 64 CO 0.43 0.55 -0.33 0.22 -1.40 0.00 0.00 179.01 178.48 2jpi h ASP 65 N 0.86 -1.13 0.65 1.42 3.58 -1.98 1.37 116.42 121.19 2jpi h ASP 65 Ca 0.31 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.93 2jpi h ASP 65 Cb 0.09 0.54 0.01 0.00 1.72 0.00 0.00 39.33 41.69 2jpi h ASP 65 CO -0.14 -0.32 -0.31 0.28 -2.88 0.00 0.00 179.24 175.87 2jpi h SER 66 N -0.22 -0.74 -0.95 2.28 0.02 -1.80 -0.13 113.55 112.01 2jpi h SER 66 Ca 0.19 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2jpi h SER 66 Cb 0.54 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 2jpi h SER 66 CO -0.59 -0.48 -0.57 0.25 -1.14 0.00 0.00 176.83 174.30 2jpi h LEU 67 N -0.95 -2.09 -0.99 5.07 6.46 0.21 0.39 115.31 123.41 2jpi h LEU 67 Ca -0.09 0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 2jpi h LEU 67 Cb 0.69 0.92 -0.02 0.00 -0.73 0.00 0.00 40.66 41.53 2jpi h LEU 67 CO 0.15 -0.22 -0.03 0.00 -0.62 0.00 0.00 178.44 177.71 2jpi h ALA 68 N 0.44 1.16 -0.97 1.25 0.00 0.18 -0.94 119.26 120.38 2jpi h ALA 68 Ca 0.15 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2jpi h ALA 68 Cb 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2jpi h ALA 68 CO -0.90 0.54 0.61 1.25 0.00 0.00 0.00 179.25 180.75 2jpi h HIS 69 N 0.65 1.03 0.03 0.00 -0.00 0.16 0.39 115.15 117.41 2jpi h HIS 69 Ca 0.13 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2jpi h HIS 69 Cb 0.45 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 2jpi h HIS 69 CO 0.02 0.39 -0.02 0.52 -0.00 0.00 0.00 177.93 178.84 2jpi h MET 70 N 0.88 -0.04 -0.29 5.26 2.86 -0.22 -2.31 114.93 121.08 2jpi h MET 70 Ca 0.49 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.21 2jpi h MET 70 Cb 0.59 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2jpi h MET 70 CO -0.25 0.20 0.23 -0.56 1.06 0.00 0.00 176.91 177.59 2jpi h GLN 71 N -1.00 0.00 0.11 1.72 3.07 -1.03 -2.35 115.11 115.63 2jpi h GLN 71 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.54 2jpi h GLN 71 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.83 2jpi h GLN 71 CO 0.01 0.00 -0.92 -0.97 0.09 0.00 0.00 178.83 177.04 2jpi h ASN 72 N 0.00 0.38 -1.00 0.06 -1.24 -0.33 -3.24 115.58 110.21 2jpi h ASN 72 Ca 0.14 -0.91 0.30 0.00 0.71 0.00 0.00 56.30 56.53 2jpi h ASN 72 Cb 0.60 -0.12 -0.14 0.00 0.73 0.00 0.00 38.32 39.38 2jpi h ASN 72 CO -0.00 1.42 0.56 0.58 -1.29 0.00 0.00 177.43 178.70 2jpi h VAL 73 N -0.44 0.36 -0.11 2.57 2.07 -0.85 0.11 116.25 119.96 2jpi h VAL 73 Ca -0.18 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2jpi h VAL 73 Cb 1.60 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2jpi h VAL 73 CO 0.10 0.07 -0.13 0.58 0.02 0.00 0.00 177.57 178.20 2jpi h VAL 74 N 0.39 1.37 -0.86 2.57 2.07 -1.64 -2.84 116.25 117.31 2jpi h VAL 74 Ca 0.70 -1.34 0.25 0.00 0.82 0.00 0.00 66.70 67.14 2jpi h VAL 74 Cb 1.53 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 2jpi h VAL 74 CO -0.57 0.38 0.77 0.00 0.02 0.00 0.00 177.57 178.17 2jpi h ALA 75 N 0.56 2.70 -0.02 1.67 0.00 -0.83 0.80 119.26 124.14 2jpi h ALA 75 Ca 0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2jpi h ALA 75 Cb 0.68 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jpi h ALA 75 CO 0.03 -1.21 -0.86 0.22 0.00 0.00 0.00 179.25 177.43 2jpi h ASP 76 N 0.00 0.80 -0.74 0.00 3.58 -1.18 -3.22 116.42 115.67 2jpi h ASP 76 Ca 0.41 -0.73 -0.03 0.00 0.42 0.00 0.00 57.03 57.10 2jpi h ASP 76 Cb 1.94 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 42.71 2jpi h ASP 76 CO -0.00 1.42 0.36 0.45 -2.88 0.00 0.00 179.24 178.58 2jpi h HIS 77 N 0.26 1.06 0.00 0.28 3.86 0.73 -2.21 115.15 119.14 2jpi h HIS 77 Ca -0.10 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2jpi h HIS 77 Cb 1.53 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 2jpi h HIS 77 CO 0.11 0.78 -0.04 -0.07 0.86 0.00 0.00 177.93 179.57 2jpi h LEU 78 N 1.03 0.00 0.47 2.43 3.38 -1.44 -3.15 115.31 118.04 2jpi h LEU 78 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2jpi h LEU 78 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jpi h LEU 78 CO -0.03 0.04 -0.23 1.56 0.09 0.00 0.00 178.44 179.88 2jpi h GLN 79 N 0.00 -0.61 -0.68 1.13 4.20 -1.40 -2.31 115.11 115.44 2jpi h GLN 79 Ca -0.00 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.91 2jpi h GLN 79 Cb 0.34 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 2jpi h GLN 79 CO 0.01 -0.41 0.47 0.07 -0.67 0.00 0.00 178.83 178.30 2jpi h ARG 80 N -1.02 0.21 0.00 1.46 0.11 -1.57 0.30 114.38 113.87 2jpi h ARG 80 Ca -0.06 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jpi h ARG 80 Cb 0.48 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2jpi h ARG 80 CO 0.11 0.14 -0.10 0.00 0.10 0.00 0.00 179.97 180.22 2jpi n MET 81 N -4.42 0.12 -1.09 0.08 0.00 -1.19 -4.88 117.12 105.74 2jpi n MET 81 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.92 2jpi n MET 81 Cb 0.60 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.19 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 -1.63 0.00 -1.00 3.17 0.00 0.11 -5.09 120.51 116.07 2jpi n ALA 82 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jpi n ALA 82 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2jpi n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jpi n ASN 83 N -0.75 -1.62 0.17 0.00 4.13 -1.26 -4.90 115.26 111.03 2jpi n ASN 83 Ca 0.00 -0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.36 2jpi n ASN 83 Cb 0.00 -0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.33 2jpi n ASN 83 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2jpi h SER 84 N -1.81 0.00 -3.83 6.41 0.87 -1.98 -3.44 113.55 109.77 2jpi h SER 84 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2jpi h SER 84 Cb 0.01 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.11 2jpi h SER 84 CO 0.00 0.10 0.42 -1.84 -0.53 0.00 0.00 176.83 174.98 2jpi n GLU 85 N -3.01 1.34 -1.22 2.24 0.28 -1.26 -4.79 120.64 114.22 2jpi n GLU 85 Ca 0.02 0.50 -0.42 0.00 -0.16 0.00 0.00 57.16 57.10 2jpi n GLU 85 Cb 0.58 -2.41 -0.06 0.00 1.43 0.00 0.00 31.44 30.98 2jpi n GLU 85 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jpi n SER 86 N -0.97 2.52 0.00 -1.84 7.64 -1.26 -4.74 113.62 114.96 2jpi n SER 86 Ca 0.12 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2jpi n SER 86 Cb 0.45 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2jpi n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpi n LEU 87 N 8.24 0.00 -4.55 -3.43 7.99 -1.26 -4.60 117.00 119.39 2jpi n LEU 87 Ca 0.49 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 56.13 2jpi n LEU 87 Cb 0.41 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.69 2jpi n LEU 87 CO 1.01 0.00 1.58 -1.61 -1.51 0.00 0.00 177.39 176.86 2jpi s GLU 88 N 0.00 2.56 -0.04 3.23 8.01 -1.26 -4.91 118.70 126.29 2jpi s GLU 88 Ca 0.00 0.50 0.01 0.00 0.01 0.00 0.00 54.97 55.49 2jpi s GLU 88 Cb 0.00 -4.52 0.02 0.00 -4.31 0.00 0.00 34.13 25.32 2jpi s GLU 88 CO 0.00 -2.90 -0.02 0.96 0.01 0.00 0.00 175.26 173.30 2jpi s ILE 89 N 9.53 0.39 -0.41 -1.63 -0.00 -1.26 -4.83 121.20 122.99 2jpi s ILE 89 Ca 0.70 -0.03 -0.17 0.00 -0.00 0.00 0.00 60.65 61.15 2jpi s ILE 89 Cb -0.12 -0.45 0.02 0.00 -0.00 0.00 0.00 42.46 41.90 2jpi s ILE 89 CO 0.17 0.20 0.45 0.00 -0.00 0.00 0.00 174.94 175.76 2jpi s ALA 90 N 1.04 3.43 -0.11 2.27 0.00 -1.26 -5.02 121.76 122.10 2jpi s ALA 90 Ca -0.09 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.28 2jpi s ALA 90 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2jpi s ALA 90 CO -0.01 -1.54 0.37 1.67 0.00 0.00 0.00 175.76 176.25 2jpi s TRP 91 N 2.20 3.55 0.24 0.00 1.48 -1.26 -4.03 118.94 121.13 2jpi s TRP 91 Ca 0.13 0.77 -0.12 0.00 -1.06 0.00 0.00 56.10 55.83 2jpi s TRP 91 Cb -0.17 -2.37 -0.08 0.00 -1.16 0.00 0.00 33.47 29.69 2jpi s TRP 91 CO 0.14 0.34 0.60 -0.65 -4.06 0.00 0.00 176.95 173.32 2jpi s GLN 92 N 0.08 3.89 0.40 3.25 -0.21 -1.25 -4.97 119.66 120.86 2jpi s GLN 92 Ca 0.21 0.42 0.22 0.00 0.02 0.00 0.00 55.36 56.23 2jpi s GLN 92 Cb -0.14 -2.63 1.20 0.00 1.00 0.00 0.00 33.01 32.44 2jpi s GLN 92 CO 0.08 0.30 1.71 -1.35 -2.12 0.00 0.00 175.29 173.90 2jpi h PRO 93 N 2.61 0.28 0.00 2.91 0.11 -1.95 -3.41 132.00 132.55 2jpi h PRO 93 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jpi h PRO 93 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jpi h PRO 93 CO 0.68 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 2jpi n ALA 94 N -2.46 0.00 -2.32 -0.75 0.00 -1.26 -4.79 120.51 108.93 2jpi n ALA 94 Ca 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 2jpi n ALA 94 Cb 1.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 1.27 0.00 0.00 2.56 -1.26 -1.44 118.70 119.83 2jpi s GLU 95 Ca 0.00 -1.61 0.21 0.00 0.00 0.00 0.00 54.97 53.57 2jpi s GLU 95 Cb 0.00 -0.73 0.17 0.00 2.00 0.00 0.00 34.13 35.57 2jpi s GLU 95 CO 0.00 0.00 1.17 -1.13 -0.56 0.00 0.00 175.26 174.75