#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa s LEU 30 N 0.00 4.09 0.26 0.99 1.02 -1.26 -4.95 118.68 118.84 2jxa s LEU 30 Ca 0.00 2.30 -0.31 0.00 0.02 0.00 0.00 54.13 56.15 2jxa s LEU 30 Cb 0.00 -4.15 -0.12 0.00 0.02 0.00 0.00 46.19 41.93 2jxa s LEU 30 CO 0.00 -0.79 1.51 -0.81 0.02 0.00 0.00 176.35 176.28 2jxa n PRO 31 N -0.24 2.39 0.02 1.29 -0.04 -1.26 -4.94 135.00 132.22 2jxa n PRO 31 Ca 0.06 0.85 -0.10 0.00 -0.04 0.00 0.00 63.50 64.27 2jxa n PRO 31 Cb 0.48 -2.57 -0.08 0.00 -0.04 0.00 0.00 33.50 31.28 2jxa n PRO 31 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jxa h PHE 32 N 4.59 -0.14 -0.87 0.54 -1.00 -1.96 -3.47 116.94 114.63 2jxa h PHE 32 Ca -0.46 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.10 2jxa h PHE 32 Cb 1.25 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.80 2jxa h PHE 32 CO 0.58 0.35 -0.22 0.41 -1.61 0.00 0.00 178.31 177.82 2jxa n GLY 33 N 0.88 0.72 3.62 -1.45 0.00 -1.26 -4.99 105.19 102.73 2jxa n GLY 33 Ca -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2jxa n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jxa s LEU 34 N -2.62 -0.99 0.56 0.99 0.20 -1.26 -5.14 118.68 110.43 2jxa s LEU 34 Ca 0.00 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.26 2jxa s LEU 34 Cb 0.00 2.24 0.00 0.00 -0.43 0.00 0.00 46.19 48.00 2jxa s LEU 34 CO 0.00 -0.21 0.00 0.23 -0.29 0.00 0.00 176.35 176.08 2jxa n MET 35 N 4.90 -3.56 -3.40 1.98 2.81 -1.26 -4.87 117.12 113.72 2jxa n MET 35 Ca -0.15 2.82 -0.34 0.00 -1.81 0.00 0.00 57.70 58.22 2jxa n MET 35 Cb 0.53 -3.75 -0.06 0.00 -0.71 0.00 0.00 33.22 29.24 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jxa s ARG 36 N -4.98 3.91 -0.12 0.03 0.52 -0.39 -4.96 118.95 112.96 2jxa s ARG 36 Ca 0.00 0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 55.53 2jxa s ARG 36 Cb 0.00 -2.86 0.04 0.00 0.52 0.00 0.00 34.95 32.66 2jxa s ARG 36 CO 0.00 0.44 0.30 0.50 0.02 0.00 0.00 175.30 176.56 2jxa s ARG 37 N -2.20 0.30 0.05 3.54 3.52 -1.26 -1.47 118.95 121.43 2jxa s ARG 37 Ca 0.40 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.59 2jxa s ARG 37 Cb -0.14 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2jxa s ARG 37 CO 0.20 -0.12 -0.15 -1.21 -0.81 0.00 0.00 175.30 173.21 2jxa s GLU 38 N 0.88 0.96 -0.04 5.12 8.01 -0.93 -4.99 118.70 127.70 2jxa s GLU 38 Ca -0.06 -0.81 -0.02 0.00 0.01 0.00 0.00 54.97 54.09 2jxa s GLU 38 Cb -0.07 -0.98 0.03 0.00 -4.31 0.00 0.00 34.13 28.80 2jxa s GLU 38 CO -0.06 0.24 0.09 -1.17 0.01 0.00 0.00 175.26 174.37 2jxa s LEU 39 N -1.26 0.72 0.05 1.80 0.20 -1.26 -1.18 118.68 117.77 2jxa s LEU 39 Ca 0.02 0.17 0.05 0.00 0.69 0.00 0.00 54.13 55.05 2jxa s LEU 39 Cb -0.08 0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.76 2jxa s LEU 39 CO 0.02 -0.16 -0.14 0.00 -0.29 0.00 0.00 176.35 175.78 2jxa s ALA 40 N 1.36 1.12 0.15 5.97 0.00 -0.63 -4.95 121.76 124.78 2jxa s ALA 40 Ca -0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 2jxa s ALA 40 Cb -0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 2jxa s ALA 40 CO -0.04 0.18 1.32 0.00 0.00 0.00 0.00 175.76 177.22 2jxa n GLU 42 N 3.29 0.64 -0.07 0.00 2.13 -1.06 -2.26 120.64 123.31 2jxa n GLU 42 Ca 0.08 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2jxa n GLU 42 Cb 0.43 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.73 2jxa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jxa n GLY 43 N 1.64 1.11 3.45 8.31 0.00 0.21 -4.84 105.19 115.06 2jxa n GLY 43 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2jxa n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxa s TYR 44 N -2.47 2.49 0.48 1.61 1.51 -0.96 -4.71 117.35 115.31 2jxa s TYR 44 Ca 0.00 -0.29 -0.23 0.00 -1.01 0.00 0.00 57.07 55.54 2jxa s TYR 44 Cb 0.00 -1.38 -0.07 0.00 -0.11 0.00 0.00 41.96 40.40 2jxa s TYR 44 CO 0.00 0.30 1.23 -1.25 -1.11 0.00 0.00 175.55 174.72 2jxa s PRO 45 N -1.78 3.59 0.10 -1.71 0.04 -1.26 -0.74 135.00 133.24 2jxa s PRO 45 Ca 0.15 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.22 2jxa s PRO 45 Cb -0.10 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2jxa s PRO 45 CO 0.07 -0.74 -0.26 -1.50 0.04 0.00 0.00 177.00 174.61 2jxa s ILE 46 N -1.46 2.17 -0.06 0.56 2.07 0.16 -4.86 121.20 119.77 2jxa s ILE 46 Ca 0.66 -1.62 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 2jxa s ILE 46 Cb -0.32 -1.91 0.02 0.00 0.13 0.00 0.00 42.46 40.38 2jxa s ILE 46 CO 0.39 0.16 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.83 2jxa s GLU 47 N -1.78 1.08 -0.00 3.50 2.12 -1.26 -2.01 118.70 120.35 2jxa s GLU 47 Ca 0.13 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.34 2jxa s GLU 47 Cb -0.10 -1.09 -0.03 0.00 0.26 0.00 0.00 34.13 33.17 2jxa s GLU 47 CO 0.05 -0.12 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.03 2jxa s LEU 48 N 1.12 2.93 -0.07 2.70 1.43 -0.93 -4.98 118.68 120.89 2jxa s LEU 48 Ca -0.07 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2jxa s LEU 48 Cb -0.14 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.43 2jxa s LEU 48 CO -0.01 0.29 0.18 -0.13 0.23 0.00 0.00 176.35 176.91 2jxa s ARG 49 N -1.25 0.17 -0.04 1.70 0.52 -1.26 -2.30 118.95 116.49 2jxa s ARG 49 Ca 0.15 0.35 -0.02 0.00 -0.52 0.00 0.00 55.73 55.69 2jxa s ARG 49 Cb -0.11 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 2jxa s ARG 49 CO 0.05 -0.10 0.08 0.00 0.02 0.00 0.00 175.30 175.35 2jxa s PRO 51 N -1.49 3.19 6.91 0.00 0.04 -1.26 -4.73 135.00 137.66 2jxa s PRO 51 Ca 0.20 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2jxa s PRO 51 Cb -0.12 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jxa s PRO 51 CO 0.11 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.63 2jxa n GLY 52 N -0.85 3.45 1.01 0.56 0.00 -1.26 -2.18 105.19 105.92 2jxa n GLY 52 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jxa n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxa n SER 53 N 4.31 2.57 -4.90 1.61 3.41 -1.26 -5.02 113.62 114.34 2jxa n SER 53 Ca 0.00 -3.66 -0.29 0.00 -0.26 0.00 0.00 58.87 54.66 2jxa n SER 53 Cb 0.00 -0.60 0.07 0.00 -0.26 0.00 0.00 64.21 63.42 2jxa n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jxa s ASP 54 N -2.55 4.89 0.09 4.04 1.01 -0.93 -1.99 116.67 121.23 2jxa s ASP 54 Ca 0.43 0.90 0.07 0.00 0.71 0.00 0.00 52.55 54.66 2jxa s ASP 54 Cb 0.39 -1.52 -0.03 0.00 1.01 0.00 0.00 42.92 42.76 2jxa s ASP 54 CO 0.00 -1.67 -0.18 0.68 0.21 0.00 0.00 175.17 174.21 2jxa s VAL 55 N -3.48 1.45 0.26 -1.27 -7.23 0.40 -4.34 120.40 106.20 2jxa s VAL 55 Ca 0.60 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2jxa s VAL 55 Cb -0.11 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.39 2jxa s VAL 55 CO 0.50 -0.13 1.21 -0.63 -0.31 0.00 0.00 175.10 175.74 2jxa s ILE 56 N -1.22 3.23 -0.34 -0.62 1.01 0.24 -1.69 121.20 121.81 2jxa s ILE 56 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2jxa s ILE 56 Cb -0.10 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.74 2jxa s ILE 56 CO 0.03 0.24 0.12 0.00 0.00 0.00 0.00 174.94 175.34 2jxa s MET 57 N -1.10 0.85 0.10 2.79 0.23 0.19 -1.47 119.30 120.89 2jxa s MET 57 Ca 0.49 -1.29 -0.31 0.00 -1.03 0.00 0.00 55.69 53.56 2jxa s MET 57 Cb -0.35 -2.10 -0.09 0.00 -1.53 0.00 0.00 34.83 30.76 2jxa s MET 57 CO 0.43 -1.02 1.63 0.08 -2.03 0.00 0.00 175.02 174.11 2jxa s VAL 58 N 1.34 2.90 -0.23 5.16 1.01 -1.26 -2.29 120.40 127.03 2jxa s VAL 58 Ca 0.11 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2jxa s VAL 58 Cb -0.19 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.78 2jxa s VAL 58 CO -0.19 0.01 -0.26 -0.62 0.00 0.00 0.00 175.10 174.04 2jxa n GLU 59 N 5.08 0.50 -3.74 2.72 -0.58 0.43 -4.98 120.64 120.08 2jxa n GLU 59 Ca 0.15 0.18 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 2jxa n GLU 59 Cb 0.40 -1.35 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jxa s ASN 60 N -6.75 -0.27 -0.06 1.62 0.01 -1.04 -5.02 114.94 103.43 2jxa s ASN 60 Ca -0.31 0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 51.84 2jxa s ASN 60 Cb 0.11 0.44 0.11 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.43 -0.38 0.89 0.00 -1.51 0.00 0.00 177.10 176.53 2jxa s ALA 61 N -0.95 -1.85 0.00 0.60 0.00 -1.26 0.73 121.76 119.04 2jxa s ALA 61 Ca -0.10 1.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 2jxa s ALA 61 Cb -0.04 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2jxa s ALA 61 CO 0.04 -0.50 0.34 1.21 0.00 0.00 0.00 175.76 176.84 2jxa s ASN 62 N -1.79 -0.21 -0.16 0.00 2.47 -0.59 -3.70 114.94 110.96 2jxa s ASN 62 Ca 0.00 0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.35 2jxa s ASN 62 Cb -0.01 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.15 2jxa s ASN 62 CO -0.03 -0.51 -0.21 -0.47 -3.72 0.00 0.00 177.10 172.16 2jxa s TYR 63 N -1.67 2.72 0.00 0.43 5.04 -1.26 -1.90 117.35 120.71 2jxa s TYR 63 Ca -0.11 -1.46 0.00 0.00 -2.44 0.00 0.00 57.07 53.06 2jxa s TYR 63 Cb -0.04 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.41 2jxa s TYR 63 CO 0.02 -0.69 0.00 0.41 -1.34 0.00 0.00 175.55 173.95 2jxa n GLY 64 N 4.30 -0.36 3.23 8.97 0.00 -0.64 -3.04 105.19 117.65 2jxa n GLY 64 Ca -0.20 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.68 0.43 -0.02 1.61 3.52 -0.73 0.43 118.95 122.52 2jxa s ARG 65 Ca 0.00 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 2jxa s ARG 65 Cb 0.00 0.29 0.04 0.00 -1.56 0.00 0.00 34.95 33.72 2jxa s ARG 65 CO 0.00 -0.42 0.97 0.25 -0.81 0.00 0.00 175.30 175.29 2jxa n THR 66 N 5.40 1.00 -3.70 4.11 -2.24 -1.26 -0.86 114.28 116.73 2jxa n THR 66 Ca -0.06 -1.05 -0.02 0.00 -2.27 0.00 0.00 64.05 60.65 2jxa n THR 66 Cb 0.50 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.18 2jxa n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jxa n ASP 67 N -0.56 -0.13 0.00 3.42 2.03 -1.26 -4.82 116.55 115.22 2jxa n ASP 67 Ca 0.02 -1.21 0.00 0.00 0.52 0.00 0.00 54.79 54.12 2jxa n ASP 67 Cb 0.33 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2jxa n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jxa n ASP 68 N -2.24 0.00 -0.99 1.67 5.68 -1.26 -4.54 116.55 114.88 2jxa n ASP 68 Ca 0.00 -0.97 0.10 0.00 -0.50 0.00 0.00 54.79 53.42 2jxa n ASP 68 Cb 0.06 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.24 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jxa n LYS 69 N 0.00 2.37 -4.81 0.11 5.02 -1.26 -4.91 118.16 114.69 2jxa n LYS 69 Ca 0.00 -2.16 -0.33 0.00 -2.02 0.00 0.00 58.31 53.80 2jxa n LYS 69 Cb 0.24 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 2jxa n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jxa s ILE 70 N -1.23 3.20 -0.73 -0.18 -1.09 -1.26 -4.75 121.20 115.16 2jxa s ILE 70 Ca 0.34 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 58.09 2jxa s ILE 70 Cb 0.19 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2jxa s ILE 70 CO 0.26 0.57 0.68 0.00 -1.23 0.00 0.00 174.94 175.23 2jxa n ASP 72 N -1.80 3.05 -0.36 0.00 5.75 -1.26 -4.93 116.55 117.00 2jxa n ASP 72 Ca -0.04 1.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.76 2jxa n ASP 72 Cb 0.53 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.30 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jxa n ALA 73 N 5.64 0.00 -1.77 2.12 0.00 -1.26 -5.12 120.51 120.12 2jxa n ALA 73 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 2jxa n ALA 73 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 2jxa n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jxa s ASP 74 N 0.28 6.41 0.40 0.00 -4.77 -1.26 -4.88 116.67 112.86 2jxa s ASP 74 Ca 0.00 2.81 0.10 0.00 -3.30 0.00 0.00 52.55 52.16 2jxa s ASP 74 Cb 0.00 -2.65 0.89 0.00 -1.09 0.00 0.00 42.92 40.07 2jxa s ASP 74 CO 0.00 -0.80 1.97 1.55 0.70 0.00 0.00 175.17 178.59 2jxa h PRO 75 N 2.95 0.56 -0.56 2.11 0.13 -1.99 -1.30 132.00 133.90 2jxa h PRO 75 Ca -0.50 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.24 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2jxa h PRO 75 CO 0.64 0.37 0.18 0.74 -0.23 0.00 0.00 178.00 179.70 2jxa h PHE 76 N 0.58 0.84 -0.29 1.56 0.04 -1.96 0.17 116.94 117.89 2jxa h PHE 76 Ca 0.30 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2jxa h PHE 76 Cb 0.41 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2jxa h PHE 76 CO -0.00 0.68 0.00 1.04 -0.60 0.00 0.00 178.31 179.43 2jxa n GLN 77 N -4.30 1.93 0.00 1.51 6.02 -0.52 -3.39 117.38 118.64 2jxa n GLN 77 Ca 0.04 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.89 2jxa n GLN 77 Cb 0.20 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N 0.36 0.76 -0.06 -1.09 2.81 -0.11 0.14 117.12 119.93 2jxa n MET 78 Ca 0.10 -0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 55.70 2jxa n MET 78 Cb 0.35 -0.63 -0.04 0.00 -0.71 0.00 0.00 33.22 32.20 2jxa n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jxa h GLU 79 N 0.00 0.33 -6.13 0.03 4.39 -0.76 -3.42 114.58 109.01 2jxa h GLU 79 Ca 0.00 -0.06 -0.58 0.00 0.34 0.00 0.00 59.36 59.06 2jxa h GLU 79 Cb 0.16 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 2jxa h GLU 79 CO 0.00 0.39 0.82 1.21 -1.16 0.00 0.00 179.01 180.27 2jxa s ASN 80 N -5.63 7.05 -0.34 1.42 2.47 -1.26 -4.90 114.94 113.74 2jxa s ASN 80 Ca -0.14 1.35 0.07 0.00 0.42 0.00 0.00 52.86 54.57 2jxa s ASN 80 Cb 0.08 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.85 2jxa s ASN 80 CO 0.71 -0.72 1.53 1.33 -3.72 0.00 0.00 177.10 176.23 2jxa n VAL 81 N 5.44 2.70 -3.52 -5.21 0.24 -1.26 -4.76 118.33 111.95 2jxa n VAL 81 Ca 0.12 -2.84 -0.28 0.00 -2.04 0.00 0.00 64.34 59.30 2jxa n VAL 81 Cb 0.46 -0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 32.24 2jxa n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jxa s GLN 82 N -3.34 0.97 -0.21 7.34 -1.52 -1.06 -4.18 119.66 117.67 2jxa s GLN 82 Ca 0.48 -1.89 -0.04 0.00 -1.95 0.00 0.00 55.36 51.96 2jxa s GLN 82 Cb 0.42 -1.72 0.11 0.00 -0.22 0.00 0.00 33.01 31.60 2jxa s GLN 82 CO 0.01 -1.27 0.32 0.00 -0.25 0.00 0.00 175.29 174.11 2jxa s TYR 84 N 2.48 1.50 -0.39 0.00 1.51 -1.26 -1.78 117.35 119.41 2jxa s TYR 84 Ca 0.08 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2jxa s TYR 84 Cb -0.15 -0.80 0.16 0.00 -0.11 0.00 0.00 41.96 41.06 2jxa s TYR 84 CO -0.13 0.16 0.35 -1.17 -1.11 0.00 0.00 175.55 173.65 2jxa s LEU 85 N -2.19 0.48 0.24 -1.29 2.96 -1.17 -4.93 118.68 112.78 2jxa s LEU 85 Ca 0.07 -2.14 -0.08 0.00 -0.22 0.00 0.00 54.13 51.75 2jxa s LEU 85 Cb -0.07 0.16 0.39 0.00 0.50 0.00 0.00 46.19 47.17 2jxa s LEU 85 CO 0.04 -0.23 1.62 -0.65 -1.32 0.00 0.00 176.35 175.81 2jxa h PRO 86 N 6.52 0.06 -0.03 0.98 0.11 -1.91 -1.13 132.00 136.60 2jxa h PRO 86 Ca 0.11 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.22 2jxa h PRO 86 Cb 1.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jxa h PRO 86 CO 0.24 0.04 0.08 -0.44 -0.21 0.00 0.00 178.00 177.71 2jxa h ASP 87 N 0.06 0.00 -0.53 -2.05 5.19 -1.96 -1.94 116.42 115.19 2jxa h ASP 87 Ca 0.39 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.93 2jxa h ASP 87 Cb 0.67 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 2jxa h ASP 87 CO -0.70 0.00 0.37 0.00 -3.12 0.00 0.00 179.24 175.79 2jxa h ALA 88 N 1.87 2.32 -0.63 3.45 0.00 -1.51 -0.98 119.26 123.78 2jxa h ALA 88 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jxa h ALA 88 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jxa h ALA 88 CO -0.00 -0.46 0.21 0.35 0.00 0.00 0.00 179.25 179.35 2jxa h PHE 89 N 0.13 0.99 -0.51 0.00 3.57 -1.43 -2.72 116.94 116.98 2jxa h PHE 89 Ca 0.25 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2jxa h PHE 89 Cb 0.82 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2jxa h PHE 89 CO -0.00 0.81 -0.08 1.57 -2.23 0.00 0.00 178.31 178.38 2jxa h LYS 90 N 0.89 0.91 0.07 1.11 2.10 -1.36 -1.44 116.57 118.86 2jxa h LYS 90 Ca 0.20 -0.31 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2jxa h LYS 90 Cb 0.27 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2jxa h LYS 90 CO -0.01 0.96 -0.03 0.82 -2.00 0.00 0.00 179.45 179.18 2jxa h ILE 91 N 0.83 0.96 -0.29 0.07 2.04 -1.32 -1.43 117.51 118.36 2jxa h ILE 91 Ca 0.14 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2jxa h ILE 91 Cb 0.60 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2jxa h ILE 91 CO 0.04 0.02 -0.26 0.24 0.00 0.00 0.00 178.15 178.19 2jxa h MET 92 N -0.13 0.58 -0.35 2.37 2.86 -1.46 -2.33 114.93 116.47 2jxa h MET 92 Ca -0.01 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2jxa h MET 92 Cb 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2jxa h MET 92 CO 0.02 0.79 0.18 0.77 1.06 0.00 0.00 176.91 179.73 2jxa h SER 93 N 0.51 0.44 -0.28 1.22 0.02 -1.07 0.15 113.55 114.53 2jxa h SER 93 Ca 0.07 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2jxa h SER 93 Cb 0.72 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2jxa h SER 93 CO 0.06 0.41 -0.03 1.56 -1.14 0.00 0.00 176.83 177.69 2jxa h GLN 94 N 0.44 0.64 -0.04 3.45 4.20 -1.18 0.37 115.11 122.99 2jxa h GLN 94 Ca 0.12 -0.16 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 2jxa h GLN 94 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jxa h GLN 94 CO -0.02 0.68 -0.79 0.00 -0.67 0.00 0.00 178.83 178.03 2jxa h ARG 95 N 0.60 0.31 0.00 1.46 3.08 -0.94 -3.38 114.38 115.51 2jxa h ARG 95 Ca 0.12 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2jxa h ARG 95 Cb 0.42 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jxa h ARG 95 CO 0.02 0.95 -1.40 0.00 -1.07 0.00 0.00 179.97 178.47 2jxa n ASN 97 N -1.86 3.28 -0.28 0.00 4.13 0.13 -1.38 115.26 119.29 2jxa n ASN 97 Ca -0.03 1.08 -0.04 0.00 1.68 0.00 0.00 54.58 57.27 2jxa n ASN 97 Cb 0.30 -1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 37.06 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jxa n ASN 98 N 3.62 -4.11 -4.46 6.41 3.02 -0.54 -4.97 115.26 114.23 2jxa n ASN 98 Ca 0.17 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 2jxa n ASN 98 Cb 0.30 -1.93 -0.12 0.00 -0.61 0.00 0.00 39.78 37.42 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jxa s ARG 99 N -1.62 1.74 0.24 3.52 0.52 -0.48 -4.82 118.95 118.04 2jxa s ARG 99 Ca 0.00 -1.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 2jxa s ARG 99 Cb 0.00 -2.08 0.26 0.00 0.52 0.00 0.00 34.95 33.65 2jxa s ARG 99 CO 0.00 0.48 1.57 1.15 0.02 0.00 0.00 175.30 178.52 2jxa h THR 100 N 3.68 1.36 -3.01 0.02 2.02 -1.85 0.69 112.91 115.82 2jxa h THR 100 Ca -0.50 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 64.75 2jxa h THR 100 Cb 1.17 1.90 -0.16 0.00 -1.74 0.00 0.00 68.15 69.31 2jxa h THR 100 CO 0.45 0.56 -0.08 0.00 0.37 0.00 0.00 175.52 176.81 2jxa s GLN 101 N -3.87 0.95 -0.02 6.66 1.03 -1.26 -0.15 119.66 122.99 2jxa s GLN 101 Ca -0.05 -0.36 -0.18 0.00 0.04 0.00 0.00 55.36 54.81 2jxa s GLN 101 Cb 0.12 0.42 0.03 0.00 0.03 0.00 0.00 33.01 33.62 2jxa s GLN 101 CO 0.80 -0.33 0.38 0.00 -2.54 0.00 0.00 175.29 173.60 2jxa s VAL 103 N -1.29 1.89 0.01 0.00 1.01 -1.26 -2.19 120.40 118.58 2jxa s VAL 103 Ca -0.13 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2jxa s VAL 103 Cb -0.04 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2jxa s VAL 103 CO 0.05 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.94 2jxa s VAL 104 N 0.72 0.32 -0.20 2.92 1.01 -0.85 -4.94 120.40 119.38 2jxa s VAL 104 Ca -0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2jxa s VAL 104 Cb -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2jxa s VAL 104 CO 0.01 -0.12 0.78 -0.69 0.00 0.00 0.00 175.10 175.08 2jxa s VAL 105 N -0.62 4.90 -0.64 2.92 1.01 -1.26 0.37 120.40 127.08 2jxa s VAL 105 Ca -0.04 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2jxa s VAL 105 Cb -0.05 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2jxa s VAL 105 CO -0.00 0.01 0.23 0.00 0.00 0.00 0.00 175.10 175.34 2jxa n ALA 106 N 5.49 1.63 -3.71 5.51 0.00 0.08 -4.69 120.51 124.82 2jxa n ALA 106 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2jxa n ALA 106 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2jxa n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jxa s GLY 107 N -0.07 -0.41 0.00 0.00 0.00 -1.26 -0.62 107.32 104.96 2jxa s GLY 107 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.42 2jxa s GLY 107 CO 0.00 2.29 0.00 -1.26 0.00 0.00 0.00 173.10 174.13 2jxa n SER 108 N -0.66 0.00 0.04 1.64 2.88 -1.26 -4.13 113.62 112.13 2jxa n SER 108 Ca -0.05 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.55 2jxa n SER 108 Cb 0.62 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.36 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N 0.12 0.16 0.21 -3.46 8.00 -1.26 -1.93 116.55 118.39 2jxa n ASP 109 Ca 0.00 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.19 2jxa n ASP 109 Cb 0.00 -0.58 0.44 0.00 -0.02 0.00 0.00 41.12 40.96 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa h ALA 110 N 2.28 1.00 -3.43 2.24 0.00 -1.87 -3.43 119.26 116.05 2jxa h ALA 110 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2jxa h ALA 110 Cb 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.64 2jxa h ALA 110 CO 0.00 0.00 -0.67 -0.06 0.00 0.00 0.00 179.25 178.52 2jxa s PHE 111 N -3.38 -0.05 0.00 0.00 0.08 -0.81 -4.99 117.98 108.83 2jxa s PHE 111 Ca 0.05 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2jxa s PHE 111 Cb 0.08 -0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.38 2jxa s PHE 111 CO 0.57 -0.11 0.00 -2.30 -0.10 0.00 0.00 175.22 173.28 2jxa n PRO 112 N 4.06 2.32 -3.55 0.24 -0.02 -1.26 -4.45 135.00 132.34 2jxa n PRO 112 Ca -0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2jxa n PRO 112 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.86 2jxa n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa s ASP 113 N -2.47 3.41 -0.16 2.55 2.15 -1.26 -4.89 116.67 116.00 2jxa s ASP 113 Ca 0.00 -1.76 -0.24 0.00 0.43 0.00 0.00 52.55 50.98 2jxa s ASP 113 Cb 0.00 -0.49 -0.22 0.00 -0.30 0.00 0.00 42.92 41.92 2jxa s ASP 113 CO 0.00 -0.38 0.54 1.55 -0.17 0.00 0.00 175.17 176.71 2jxa h PRO 114 N 7.74 0.00 -2.73 4.34 0.13 -1.92 -3.43 132.00 136.12 2jxa h PRO 114 Ca -0.08 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.45 2jxa h PRO 114 Cb 0.99 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.72 2jxa h PRO 114 CO 0.38 0.91 -0.81 0.00 -0.23 0.00 0.00 178.00 178.25 2jxa s PRO 116 N 0.04 4.23 0.00 0.00 0.04 -1.26 -3.24 135.00 134.81 2jxa s PRO 116 Ca 0.24 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2jxa s PRO 116 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2jxa s PRO 116 CO -0.10 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 176.90 2jxa n GLY 117 N 1.86 0.44 3.53 0.56 0.00 -1.26 -5.09 105.19 105.23 2jxa n GLY 117 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.00 3.13 -0.72 2.61 2.01 -1.20 -4.32 115.64 115.15 2jxa s THR 118 Ca 0.00 -1.33 -0.24 0.00 0.31 0.00 0.00 61.69 60.43 2jxa s THR 118 Cb 0.00 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 70.13 2jxa s THR 118 CO 0.00 0.14 1.10 -0.47 -0.69 0.00 0.00 174.62 174.70 2jxa s TYR 119 N -1.15 2.56 0.00 4.92 5.04 0.38 -4.99 117.35 124.11 2jxa s TYR 119 Ca 0.19 -0.44 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 2jxa s TYR 119 Cb -0.11 -4.42 0.00 0.00 0.35 0.00 0.00 41.96 37.78 2jxa s TYR 119 CO 0.11 -1.80 0.00 1.63 -1.34 0.00 0.00 175.55 174.15 2jxa n LYS 120 N 8.26 0.22 -3.68 4.97 5.02 -1.26 -4.82 118.16 126.86 2jxa n LYS 120 Ca 0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 2jxa n LYS 120 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.56 -0.17 -0.11 2.13 -0.85 0.17 -2.56 117.35 115.40 2jxa s TYR 121 Ca 0.00 -0.07 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 2jxa s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jxa s TYR 121 CO 0.00 -0.69 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.05 2jxa s LEU 122 N -2.83 1.47 -0.12 -3.49 2.96 -0.23 -1.62 118.68 114.83 2jxa s LEU 122 Ca 0.11 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2jxa s LEU 122 Cb -0.01 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 2jxa s LEU 122 CO -0.01 -0.05 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.08 2jxa s GLU 123 N 1.30 3.18 -0.10 1.98 -6.30 -0.80 -1.60 118.70 116.36 2jxa s GLU 123 Ca -0.02 -0.80 -0.01 0.00 -2.50 0.00 0.00 54.97 51.65 2jxa s GLU 123 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 34.13 31.57 2jxa s GLU 123 CO -0.05 0.17 -0.04 0.08 0.02 0.00 0.00 175.26 175.44 2jxa s VAL 124 N 0.40 0.75 -0.20 3.70 1.01 -0.32 -1.54 120.40 124.19 2jxa s VAL 124 Ca -0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2jxa s VAL 124 Cb -0.17 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2jxa s VAL 124 CO 0.07 0.30 0.09 -1.10 0.00 0.00 0.00 175.10 174.46 2jxa s GLN 125 N 1.82 3.99 0.27 2.72 1.11 0.22 -2.19 119.66 127.59 2jxa s GLN 125 Ca 0.05 -0.33 -0.15 0.00 0.01 0.00 0.00 55.36 54.94 2jxa s GLN 125 Cb -0.13 -3.32 0.01 0.00 -1.01 0.00 0.00 33.01 28.56 2jxa s GLN 125 CO -0.07 0.18 0.57 1.52 0.01 0.00 0.00 175.29 177.50 2jxa s TYR 126 N 0.65 0.18 0.23 0.91 -0.85 -0.54 -0.43 117.35 117.51 2jxa s TYR 126 Ca 0.05 -0.59 0.06 0.00 -0.52 0.00 0.00 57.07 56.07 2jxa s TYR 126 Cb -0.13 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 2jxa s TYR 126 CO 0.01 -1.10 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.37 2jxa s ASP 127 N -2.99 2.34 -0.29 -0.18 1.01 -0.97 -1.26 116.67 114.33 2jxa s ASP 127 Ca 0.19 -1.14 -0.06 0.00 0.71 0.00 0.00 52.55 52.25 2jxa s ASP 127 Cb -0.03 -0.09 0.01 0.00 1.01 0.00 0.00 42.92 43.83 2jxa s ASP 127 CO 0.09 -0.35 0.06 0.00 0.21 0.00 0.00 175.17 175.18 2jxa s VAL 129 N 1.47 2.65 0.39 0.00 -7.23 -0.68 -4.76 120.40 112.23 2jxa s VAL 129 Ca 0.02 -1.66 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 2jxa s VAL 129 Cb -0.17 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.44 2jxa s VAL 129 CO 0.01 0.05 1.23 -2.65 -0.31 0.00 0.00 175.10 173.43 2jxa n PRO 130 N 0.68 1.88 -2.70 4.82 -0.02 -1.26 0.15 135.00 138.55 2jxa n PRO 130 Ca -0.15 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2jxa n PRO 130 Cb 0.53 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2jxa n PRO 130 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jxa s TYR 131 N -1.17 3.84 -0.14 6.00 5.04 -0.84 -4.69 117.35 125.39 2jxa s TYR 131 Ca 0.60 1.82 -0.18 0.00 -2.44 0.00 0.00 57.07 56.87 2jxa s TYR 131 Cb -0.54 -3.06 -0.04 0.00 0.35 0.00 0.00 41.96 38.67 2jxa s TYR 131 CO 0.59 0.18 0.46 0.21 -1.34 0.00 0.00 175.55 175.65 2jxa s LYS 132 N -0.54 4.31 -0.13 4.97 2.20 -1.26 -5.04 119.74 124.25 2jxa s LYS 132 Ca 0.45 0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 2jxa s LYS 132 Cb -0.25 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2jxa s LYS 132 CO 0.32 0.12 0.24 0.08 -0.36 0.00 0.00 175.35 175.75 2jxa s VAL 133 N 0.76 5.33 0.00 4.02 1.01 -1.26 -5.24 120.40 125.02 2jxa s VAL 133 Ca 0.24 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2jxa s VAL 133 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2jxa s VAL 133 CO 0.09 0.50 0.00 1.21 0.00 0.00 0.00 175.10 176.90