#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 -5.37 0.00 0.99 4.32 -1.26 -4.75 117.00 110.93 2jxa n LEU 30 Ca 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.59 2jxa n LEU 30 Cb 0.00 -2.90 0.00 0.00 -1.62 0.00 0.00 43.42 38.90 2jxa n LEU 30 CO 0.00 -0.56 0.04 -2.65 -1.22 0.00 0.00 177.39 173.01 2jxa n PRO 31 N -2.32 0.00 0.05 3.23 -0.02 -1.26 -3.80 135.00 130.89 2jxa n PRO 31 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2jxa n PRO 31 Cb 0.56 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jxa n PHE 32 N -0.57 -1.86 -2.53 6.00 3.72 -1.26 -5.05 117.46 115.91 2jxa n PHE 32 Ca 0.00 0.28 -0.07 0.00 -0.05 0.00 0.00 57.45 57.61 2jxa n PHE 32 Cb 0.00 0.98 0.01 0.00 -0.94 0.00 0.00 39.48 39.54 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 0.04 0.31 3.63 1.37 0.00 -1.25 -5.03 105.19 104.27 2jxa n GLY 33 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 2jxa n GLY 33 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jxa s LEU 34 N -2.52 -0.94 0.21 0.99 2.34 -1.26 -5.13 118.68 112.37 2jxa s LEU 34 Ca 0.10 1.44 0.00 0.00 0.06 0.00 0.00 54.13 55.73 2jxa s LEU 34 Cb -0.05 2.28 0.00 0.00 -0.56 0.00 0.00 46.19 47.87 2jxa s LEU 34 CO 0.13 -0.22 0.00 0.80 -1.06 0.00 0.00 176.35 176.00 2jxa n MET 35 N 4.53 -1.69 -3.43 1.48 0.00 -1.26 -4.96 117.12 111.79 2jxa n MET 35 Ca -0.18 1.28 -0.34 0.00 0.00 0.00 0.00 57.70 58.46 2jxa n MET 35 Cb 0.56 -1.51 -0.06 0.00 0.00 0.00 0.00 33.22 32.22 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2jxa s ARG 36 N -4.85 3.86 -0.11 2.12 0.52 -0.37 -4.96 118.95 115.17 2jxa s ARG 36 Ca 0.00 0.34 -0.09 0.00 -0.52 0.00 0.00 55.73 55.46 2jxa s ARG 36 Cb 0.00 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.67 2jxa s ARG 36 CO 0.00 0.43 0.29 0.50 0.02 0.00 0.00 175.30 176.55 2jxa s ARG 37 N -2.28 0.32 0.03 3.54 3.52 -1.26 -1.47 118.95 121.34 2jxa s ARG 37 Ca 0.40 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 56.49 2jxa s ARG 37 Cb -0.13 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2jxa s ARG 37 CO 0.20 -0.07 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.32 2jxa s GLU 38 N 0.47 0.58 -0.00 5.12 0.41 -0.83 -5.01 118.70 119.43 2jxa s GLU 38 Ca -0.03 -0.58 -0.01 0.00 -0.41 0.00 0.00 54.97 53.94 2jxa s GLU 38 Cb -0.04 -0.46 -0.00 0.00 -1.78 0.00 0.00 34.13 31.85 2jxa s GLU 38 CO -0.02 0.11 0.02 -1.17 -0.49 0.00 0.00 175.26 173.70 2jxa s LEU 39 N -1.04 1.97 -0.05 1.80 0.20 -1.26 -1.20 118.68 119.10 2jxa s LEU 39 Ca -0.04 -0.11 -0.10 0.00 0.69 0.00 0.00 54.13 54.56 2jxa s LEU 39 Cb -0.07 0.13 0.02 0.00 -0.43 0.00 0.00 46.19 45.84 2jxa s LEU 39 CO 0.00 -0.11 0.25 0.00 -0.29 0.00 0.00 176.35 176.20 2jxa s ALA 40 N -0.47 -0.61 0.23 5.97 0.00 -0.96 -5.01 121.76 120.91 2jxa s ALA 40 Ca -0.05 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2jxa s ALA 40 Cb -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 2jxa s ALA 40 CO -0.00 -0.19 1.25 0.00 0.00 0.00 0.00 175.76 176.82 2jxa n GLU 42 N 2.12 0.67 0.00 0.00 2.13 -1.22 -2.25 120.64 122.09 2jxa n GLU 42 Ca 0.04 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2jxa n GLU 42 Cb 0.43 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.69 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 1.66 1.12 3.46 8.31 0.00 -1.19 -4.93 105.19 113.63 2jxa n GLY 43 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.27 2.41 0.41 1.61 2.02 -0.96 -4.86 117.35 115.71 2jxa s TYR 44 Ca 0.00 -0.32 -0.24 0.00 -0.37 0.00 0.00 57.07 56.14 2jxa s TYR 44 Cb 0.00 -1.21 -0.08 0.00 -0.40 0.00 0.00 41.96 40.27 2jxa s TYR 44 CO 0.00 0.47 1.12 -1.25 -1.57 0.00 0.00 175.55 174.32 2jxa s PRO 45 N -2.58 4.03 0.11 -1.71 0.04 -1.26 -1.64 135.00 131.98 2jxa s PRO 45 Ca 0.21 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.02 2jxa s PRO 45 Cb -0.09 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 2jxa s PRO 45 CO 0.11 -0.30 -0.15 -1.50 0.04 0.00 0.00 177.00 175.20 2jxa s ILE 46 N -1.54 3.06 -0.08 0.56 2.07 0.29 -4.89 121.20 120.67 2jxa s ILE 46 Ca 0.59 -1.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 2jxa s ILE 46 Cb -0.27 -2.41 0.01 0.00 0.13 0.00 0.00 42.46 39.93 2jxa s ILE 46 CO 0.33 0.12 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.65 2jxa s GLU 47 N -2.11 1.94 -0.05 3.50 2.12 -1.26 -1.44 118.70 121.40 2jxa s GLU 47 Ca 0.19 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.08 2jxa s GLU 47 Cb -0.11 -1.60 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 2jxa s GLU 47 CO 0.11 0.02 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.17 2jxa s LEU 48 N 0.73 2.56 -0.07 2.70 1.43 -0.18 -4.98 118.68 120.87 2jxa s LEU 48 Ca -0.13 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2jxa s LEU 48 Cb -0.16 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2jxa s LEU 48 CO 0.03 0.33 0.18 -0.13 0.23 0.00 0.00 176.35 176.99 2jxa s ARG 49 N -0.64 0.18 -0.11 1.70 0.52 -1.26 -0.99 118.95 118.34 2jxa s ARG 49 Ca 0.10 0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.58 2jxa s ARG 49 Cb -0.11 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 2jxa s ARG 49 CO 0.00 -0.09 0.13 0.00 0.02 0.00 0.00 175.30 175.36 2jxa s PRO 51 N -1.04 2.63 4.29 0.00 0.04 -1.26 -4.69 135.00 134.96 2jxa s PRO 51 Ca 0.15 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2jxa s PRO 51 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jxa s PRO 51 CO 0.04 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.11 2jxa n GLY 52 N -0.58 2.64 1.90 0.56 0.00 -1.26 -1.82 105.19 106.63 2jxa n GLY 52 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 1.02 5.20 -4.87 1.61 3.41 -1.26 -4.97 113.62 113.75 2jxa n SER 53 Ca 0.00 -3.10 -0.30 0.00 -0.26 0.00 0.00 58.87 55.22 2jxa n SER 53 Cb 0.00 -0.71 0.07 0.00 -0.26 0.00 0.00 64.21 63.31 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 -0.99 4.88 0.07 4.04 1.01 -0.76 -3.41 116.67 121.51 2jxa s ASP 54 Ca 0.54 1.02 0.06 0.00 0.71 0.00 0.00 52.55 54.89 2jxa s ASP 54 Cb 0.43 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 2jxa s ASP 54 CO 0.14 -1.69 -0.17 0.68 0.21 0.00 0.00 175.17 174.34 2jxa s VAL 55 N -3.40 1.39 0.26 -1.27 -7.23 0.10 -4.30 120.40 105.95 2jxa s VAL 55 Ca 0.60 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2jxa s VAL 55 Cb -0.12 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2jxa s VAL 55 CO 0.51 -0.04 1.21 -0.63 -0.31 0.00 0.00 175.10 175.84 2jxa s ILE 56 N -1.05 3.26 -0.28 -0.62 1.01 0.46 -1.88 121.20 122.10 2jxa s ILE 56 Ca 0.03 1.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 2jxa s ILE 56 Cb -0.09 -3.75 0.09 0.00 0.01 0.00 0.00 42.46 38.72 2jxa s ILE 56 CO 0.03 0.24 0.10 0.00 0.00 0.00 0.00 174.94 175.30 2jxa s MET 57 N -1.01 0.52 0.08 2.79 0.23 -0.26 -0.76 119.30 120.89 2jxa s MET 57 Ca 0.50 -0.78 -0.31 0.00 -1.03 0.00 0.00 55.69 54.06 2jxa s MET 57 Cb -0.35 -1.73 -0.09 0.00 -1.53 0.00 0.00 34.83 31.13 2jxa s MET 57 CO 0.42 -0.94 1.67 0.08 -2.03 0.00 0.00 175.02 174.22 2jxa s VAL 58 N 1.82 2.95 -0.28 5.16 1.01 -1.26 -2.06 120.40 127.74 2jxa s VAL 58 Ca 0.08 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 2jxa s VAL 58 Cb -0.17 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 2jxa s VAL 58 CO -0.26 0.00 -0.35 -0.62 0.00 0.00 0.00 175.10 173.86 2jxa n GLU 59 N 5.49 0.59 -3.75 2.72 1.02 -0.44 -4.94 120.64 121.33 2jxa n GLU 59 Ca 0.16 0.25 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2jxa n GLU 59 Cb 0.40 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jxa s ASN 60 N -7.46 -0.23 -0.11 1.62 0.01 -0.99 -5.04 114.94 102.75 2jxa s ASN 60 Ca -0.39 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.62 2jxa s ASN 60 Cb 0.15 0.35 0.11 0.00 0.41 0.00 0.00 41.25 42.27 2jxa s ASN 60 CO 0.49 -0.44 0.92 0.00 -1.51 0.00 0.00 177.10 176.57 2jxa s ALA 61 N -1.23 -1.88 -0.02 0.60 0.00 -1.26 -0.50 121.76 117.47 2jxa s ALA 61 Ca -0.13 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 2jxa s ALA 61 Cb -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.77 2jxa s ALA 61 CO 0.04 -0.41 0.30 1.21 0.00 0.00 0.00 175.76 176.91 2jxa s ASN 62 N -1.46 -0.19 -0.16 0.00 2.47 -0.88 -3.45 114.94 111.26 2jxa s ASN 62 Ca -0.01 0.12 0.01 0.00 0.42 0.00 0.00 52.86 53.40 2jxa s ASN 62 Cb -0.01 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.14 2jxa s ASN 62 CO 0.00 -0.42 -0.20 -0.47 -3.72 0.00 0.00 177.10 172.30 2jxa s TYR 63 N -1.21 2.74 0.00 0.43 6.14 -1.26 -2.23 117.35 121.96 2jxa s TYR 63 Ca -0.13 -1.42 0.00 0.00 0.64 0.00 0.00 57.07 56.17 2jxa s TYR 63 Cb -0.05 -1.88 0.00 0.00 0.42 0.00 0.00 41.96 40.45 2jxa s TYR 63 CO 0.04 -0.67 0.00 0.41 0.64 0.00 0.00 175.55 175.96 2jxa n GLY 64 N 4.31 -0.27 3.27 8.97 0.00 -0.55 -3.43 105.19 117.49 2jxa n GLY 64 Ca -0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.45 0.43 0.00 1.61 3.52 -0.94 0.58 118.95 122.69 2jxa s ARG 65 Ca 0.00 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 2jxa s ARG 65 Cb 0.00 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 2jxa s ARG 65 CO 0.00 -0.38 0.77 0.25 -0.81 0.00 0.00 175.30 175.13 2jxa n THR 66 N 5.41 0.58 -3.76 4.11 -2.24 -1.26 -0.57 114.28 116.55 2jxa n THR 66 Ca -0.07 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.88 2jxa n THR 66 Cb 0.50 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 2jxa n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jxa s ASP 67 N -0.58 -0.07 0.00 3.42 2.15 -1.26 -4.78 116.67 115.56 2jxa s ASP 67 Ca 0.00 -0.37 0.08 0.00 0.43 0.00 0.00 52.55 52.68 2jxa s ASP 67 Cb 0.00 0.38 0.14 0.00 -0.30 0.00 0.00 42.92 43.14 2jxa s ASP 67 CO 0.00 -0.71 0.98 -0.90 -0.17 0.00 0.00 175.17 174.37 2jxa n ASP 68 N 0.18 2.19 -0.84 -0.34 5.75 -1.26 -4.47 116.55 117.76 2jxa n ASP 68 Ca -0.17 -1.69 0.10 0.00 -0.01 0.00 0.00 54.79 53.03 2jxa n ASP 68 Cb 0.61 -0.09 0.09 0.00 -1.03 0.00 0.00 41.12 40.71 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jxa n LYS 69 N 0.31 1.91 -4.80 0.11 5.02 -1.26 -4.86 118.16 114.58 2jxa n LYS 69 Ca 0.06 -1.76 -0.33 0.00 -2.02 0.00 0.00 58.31 54.27 2jxa n LYS 69 Cb 0.29 -1.40 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.73 3.24 -1.02 -0.18 -1.09 -1.26 -4.66 121.20 114.50 2jxa s ILE 70 Ca 0.25 -0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2jxa s ILE 70 Cb 0.17 -2.30 -0.06 0.00 -1.58 0.00 0.00 42.46 38.69 2jxa s ILE 70 CO 0.26 0.58 0.89 0.00 -1.23 0.00 0.00 174.94 175.44 2jxa n ASP 72 N -3.15 0.35 -3.20 0.00 5.75 -1.26 -4.88 116.55 110.16 2jxa n ASP 72 Ca -0.08 -0.11 -0.13 0.00 -0.01 0.00 0.00 54.79 54.45 2jxa n ASP 72 Cb 0.62 -0.98 -0.02 0.00 -1.03 0.00 0.00 41.12 39.71 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 10.78 0.27 -1.69 2.12 0.00 -1.26 -5.08 120.51 125.65 2jxa n ALA 73 Ca 0.61 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 2jxa n ALA 73 Cb 0.14 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2jxa n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jxa n ASP 74 N -1.50 2.59 -0.33 0.00 5.75 -1.26 -4.71 116.55 117.09 2jxa n ASP 74 Ca -0.05 1.17 0.16 0.00 -0.01 0.00 0.00 54.79 56.05 2jxa n ASP 74 Cb 0.28 -1.48 0.39 0.00 -1.03 0.00 0.00 41.12 39.27 2jxa n ASP 74 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jxa h PRO 75 N 2.34 0.61 -0.36 0.11 0.13 -1.98 0.21 132.00 133.06 2jxa h PRO 75 Ca -0.46 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.29 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jxa h PRO 75 CO 0.61 0.41 -0.05 0.74 -0.23 0.00 0.00 178.00 179.48 2jxa h PHE 76 N 0.63 0.63 -0.00 1.56 0.04 -1.96 0.20 116.94 118.04 2jxa h PHE 76 Ca 0.58 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.27 2jxa h PHE 76 Cb 1.08 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.06 2jxa h PHE 76 CO -0.00 0.64 -0.13 1.04 -0.60 0.00 0.00 178.31 179.25 2jxa n GLN 77 N -4.23 0.69 0.00 1.51 6.02 0.54 -3.38 117.38 118.54 2jxa n GLN 77 Ca 0.01 -0.27 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2jxa n GLN 77 Cb 0.29 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 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 -0.92 1.94 -0.03 -1.09 2.81 -0.02 -1.02 117.12 118.78 2jxa n MET 78 Ca 0.14 -0.65 -0.11 0.00 -1.81 0.00 0.00 57.70 55.26 2jxa n MET 78 Cb 0.29 -1.18 -0.05 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.36 0.20 -6.34 0.03 5.08 -0.68 -3.42 114.58 110.80 2jxa h GLU 79 Ca 0.00 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.76 2jxa h GLU 79 Cb 0.44 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2jxa h GLU 79 CO 0.00 0.26 0.85 1.21 -1.00 0.00 0.00 179.01 180.33 2jxa s ASN 80 N -5.48 6.91 -0.34 1.42 2.47 -1.26 -4.89 114.94 113.76 2jxa s ASN 80 Ca -0.14 1.00 0.07 0.00 0.42 0.00 0.00 52.86 54.22 2jxa s ASN 80 Cb 0.07 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.89 2jxa s ASN 80 CO 0.69 -0.91 1.61 1.33 -3.72 0.00 0.00 177.10 176.10 2jxa n VAL 81 N 5.96 2.76 -3.42 -5.21 0.24 -1.26 -4.72 118.33 112.67 2jxa n VAL 81 Ca 0.12 -2.47 -0.28 0.00 -2.04 0.00 0.00 64.34 59.67 2jxa n VAL 81 Cb 0.47 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.37 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 -3.26 0.83 -0.11 7.34 -1.52 -0.77 -4.02 119.66 118.15 2jxa s GLN 82 Ca 0.49 -1.91 -0.05 0.00 -1.95 0.00 0.00 55.36 51.94 2jxa s GLN 82 Cb 0.43 -1.42 0.05 0.00 -0.22 0.00 0.00 33.01 31.85 2jxa s GLN 82 CO 0.03 -1.33 0.24 0.00 -0.25 0.00 0.00 175.29 173.98 2jxa s TYR 84 N 1.97 1.11 -0.41 0.00 1.51 -1.26 -2.22 117.35 118.05 2jxa s TYR 84 Ca -0.02 -0.72 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 2jxa s TYR 84 Cb -0.11 -0.59 0.17 0.00 -0.11 0.00 0.00 41.96 41.31 2jxa s TYR 84 CO -0.08 0.01 0.41 -1.17 -1.11 0.00 0.00 175.55 173.61 2jxa s LEU 85 N -2.74 0.44 0.28 -1.29 2.96 -1.22 -4.93 118.68 112.18 2jxa s LEU 85 Ca 0.10 -2.34 0.02 0.00 -0.22 0.00 0.00 54.13 51.68 2jxa s LEU 85 Cb -0.00 0.27 0.68 0.00 0.50 0.00 0.00 46.19 47.64 2jxa s LEU 85 CO -0.00 -0.18 1.66 -0.65 -1.32 0.00 0.00 176.35 175.85 2jxa h PRO 86 N 6.02 0.24 -0.05 0.98 0.11 -1.91 0.11 132.00 137.50 2jxa h PRO 86 Ca 0.15 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.26 2jxa h PRO 86 Cb 0.99 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2jxa h PRO 86 CO 0.25 0.16 0.06 -0.44 -0.21 0.00 0.00 178.00 177.81 2jxa h ASP 87 N 0.25 0.00 -0.92 -2.05 3.32 -1.96 -2.25 116.42 112.82 2jxa h ASP 87 Ca 0.54 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.82 2jxa h ASP 87 Cb 1.06 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 2jxa h ASP 87 CO -0.62 0.00 0.62 0.00 -1.72 0.00 0.00 179.24 177.53 2jxa h ALA 88 N 1.93 2.43 -0.72 3.45 0.00 -1.08 0.11 119.26 125.38 2jxa h ALA 88 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jxa h ALA 88 Cb 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jxa h ALA 88 CO -0.00 -0.72 0.21 0.35 0.00 0.00 0.00 179.25 179.08 2jxa h PHE 89 N 0.26 1.19 -0.51 0.00 3.57 -1.43 -2.70 116.94 117.32 2jxa h PHE 89 Ca 0.47 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 2jxa h PHE 89 Cb 1.40 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2jxa h PHE 89 CO -0.00 0.95 -0.05 1.57 -2.23 0.00 0.00 178.31 178.55 2jxa h LYS 90 N 1.08 0.90 0.23 1.11 2.10 -0.98 -0.32 116.57 120.69 2jxa h LYS 90 Ca 0.23 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2jxa h LYS 90 Cb 0.33 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2jxa h LYS 90 CO -0.00 0.92 -0.20 0.82 -2.00 0.00 0.00 179.45 178.99 2jxa h ILE 91 N 0.82 0.57 -0.25 0.07 2.04 -1.19 -0.67 117.51 118.90 2jxa h ILE 91 Ca 0.15 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 2jxa h ILE 91 Cb 0.55 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jxa h ILE 91 CO 0.03 0.00 -0.21 0.24 0.00 0.00 0.00 178.15 178.21 2jxa h MET 92 N -0.45 0.46 -0.16 2.37 2.86 -1.41 -1.88 114.93 116.72 2jxa h MET 92 Ca -0.01 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2jxa h MET 92 Cb 0.41 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2jxa h MET 92 CO -0.03 0.64 0.09 0.77 1.06 0.00 0.00 176.91 179.44 2jxa h SER 93 N 0.41 0.14 -0.27 1.22 0.02 -0.61 0.33 113.55 114.79 2jxa h SER 93 Ca 0.07 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2jxa h SER 93 Cb 0.60 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2jxa h SER 93 CO 0.04 0.11 -0.22 1.56 -1.14 0.00 0.00 176.83 177.18 2jxa h GLN 94 N 0.19 0.74 -0.09 3.45 4.20 -1.00 0.65 115.11 123.24 2jxa h GLN 94 Ca 0.06 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.31 2jxa h GLN 94 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jxa h GLN 94 CO -0.03 0.90 -0.67 0.00 -0.67 0.00 0.00 178.83 178.36 2jxa h ARG 95 N 0.65 0.37 0.00 1.46 3.08 -0.96 -3.36 114.38 115.62 2jxa h ARG 95 Ca 0.09 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2jxa h ARG 95 Cb 0.72 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2jxa h ARG 95 CO 0.06 0.91 -0.85 0.00 -1.07 0.00 0.00 179.97 179.01 2jxa n ASN 97 N -1.47 3.70 -0.31 0.00 3.02 0.22 -1.27 115.26 119.15 2jxa n ASN 97 Ca -0.00 1.10 -0.04 0.00 -0.03 0.00 0.00 54.58 55.61 2jxa n ASN 97 Cb 0.15 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 37.76 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jxa n ASN 98 N 3.08 -4.64 -4.57 6.41 4.13 0.06 -4.95 115.26 114.78 2jxa n ASN 98 Ca 0.13 0.10 -0.32 0.00 1.68 0.00 0.00 54.58 56.17 2jxa n ASN 98 Cb 0.34 -2.50 -0.11 0.00 -1.54 0.00 0.00 39.78 35.98 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jxa s ARG 99 N -1.78 2.56 0.26 3.52 0.52 -0.40 -4.77 118.95 118.86 2jxa s ARG 99 Ca 0.00 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.56 2jxa s ARG 99 Cb 0.00 -2.49 0.33 0.00 0.52 0.00 0.00 34.95 33.31 2jxa s ARG 99 CO 0.00 0.61 1.62 1.15 0.02 0.00 0.00 175.30 178.71 2jxa h THR 100 N 3.91 1.34 -3.01 0.02 2.02 -1.85 1.35 112.91 116.70 2jxa h THR 100 Ca -0.48 -1.74 -0.12 0.00 0.77 0.00 0.00 66.41 64.84 2jxa h THR 100 Cb 1.17 1.82 -0.20 0.00 -1.74 0.00 0.00 68.15 69.20 2jxa h THR 100 CO 0.53 0.52 -0.26 0.00 0.37 0.00 0.00 175.52 176.67 2jxa s GLN 101 N -3.97 0.68 -0.18 6.66 -2.07 -1.26 0.18 119.66 119.70 2jxa s GLN 101 Ca -0.05 -0.19 -0.16 0.00 -1.82 0.00 0.00 55.36 53.15 2jxa s GLN 101 Cb 0.13 0.30 0.05 0.00 -1.09 0.00 0.00 33.01 32.40 2jxa s GLN 101 CO 0.79 -0.19 0.48 0.00 -1.32 0.00 0.00 175.29 175.05 2jxa s VAL 103 N 0.42 2.60 0.02 0.00 1.01 -1.26 -1.01 120.40 122.19 2jxa s VAL 103 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2jxa s VAL 103 Cb -0.04 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2jxa s VAL 103 CO -0.01 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 2jxa s VAL 104 N 0.21 0.17 -0.30 2.92 1.01 -0.52 -4.92 120.40 118.97 2jxa s VAL 104 Ca -0.11 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 2jxa s VAL 104 Cb -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 2jxa s VAL 104 CO 0.06 -0.46 0.76 -0.69 0.00 0.00 0.00 175.10 174.78 2jxa s VAL 105 N -1.38 4.83 0.00 2.92 1.01 -1.26 0.11 120.40 126.63 2jxa s VAL 105 Ca -0.14 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2jxa s VAL 105 Cb -0.10 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2jxa s VAL 105 CO -0.01 -0.20 0.77 0.00 0.00 0.00 0.00 175.10 175.66 2jxa n ALA 106 N 6.11 2.41 -2.00 5.51 0.00 -0.65 -4.56 120.51 127.33 2jxa n ALA 106 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jxa n ALA 106 Cb 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 1.36 0.25 3.77 0.00 0.00 -1.26 -3.16 105.19 106.16 2jxa n GLY 107 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2jxa n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxa n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -0.48 113.62 116.36 2jxa n SER 108 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2jxa n SER 108 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.15 0.00 0.22 -3.46 8.00 -1.26 -1.64 116.55 116.26 2jxa n ASP 109 Ca 0.00 0.46 0.15 0.00 0.71 0.00 0.00 54.79 56.10 2jxa n ASP 109 Cb 0.00 -0.46 0.47 0.00 -0.02 0.00 0.00 41.12 41.11 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 2.05 1.00 -3.46 2.24 0.00 -1.24 -3.43 119.26 116.42 2jxa h ALA 110 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2jxa h ALA 110 Cb 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.50 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 -3.42 -0.05 0.00 0.00 0.08 0.36 -4.87 117.98 110.08 2jxa s PHE 111 Ca 0.04 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2jxa s PHE 111 Cb 0.08 -0.12 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 2jxa s PHE 111 CO 0.57 -0.10 0.00 -2.30 -0.10 0.00 0.00 175.22 173.29 2jxa n PRO 112 N 3.88 2.28 -3.54 0.24 -0.02 -1.26 -4.65 135.00 131.93 2jxa n PRO 112 Ca -0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.96 2jxa n PRO 112 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.89 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 -2.52 2.98 -0.08 2.55 2.15 -1.26 -4.97 116.67 115.52 2jxa s ASP 113 Ca 0.00 -2.52 -0.17 0.00 0.43 0.00 0.00 52.55 50.30 2jxa s ASP 113 Cb 0.00 -0.63 -0.29 0.00 -0.30 0.00 0.00 42.92 41.70 2jxa s ASP 113 CO 0.00 -0.27 0.67 1.55 -0.17 0.00 0.00 175.17 176.95 2jxa h PRO 114 N 6.65 0.29 -2.65 4.34 0.13 -1.93 -3.43 132.00 135.40 2jxa h PRO 114 Ca 0.08 -0.49 -0.59 0.00 -0.87 0.00 0.00 66.00 64.12 2jxa h PRO 114 Cb 0.94 0.18 -0.39 0.00 0.13 0.00 0.00 31.00 31.86 2jxa h PRO 114 CO 0.36 1.24 -0.84 0.00 -0.23 0.00 0.00 178.00 178.52 2jxa s PRO 116 N 0.31 4.49 0.00 0.00 0.04 -1.26 -3.52 135.00 135.06 2jxa s PRO 116 Ca 0.24 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2jxa s PRO 116 Cb -0.12 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2jxa s PRO 116 CO -0.08 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2jxa n GLY 117 N 1.86 0.64 3.32 0.56 0.00 -1.26 -5.09 105.19 105.22 2jxa n GLY 117 Ca 0.03 0.00 -0.28 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 1.96 -0.71 2.61 2.01 -1.23 -4.36 115.64 113.91 2jxa s THR 118 Ca 0.00 -1.44 -0.23 0.00 0.31 0.00 0.00 61.69 60.32 2jxa s THR 118 Cb 0.00 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.86 2jxa s THR 118 CO 0.00 0.19 1.07 -0.47 -0.69 0.00 0.00 174.62 174.72 2jxa s TYR 119 N -0.92 2.61 0.00 4.92 5.04 -0.19 -4.99 117.35 123.81 2jxa s TYR 119 Ca 0.10 -0.50 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2jxa s TYR 119 Cb -0.10 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.82 2jxa s TYR 119 CO 0.03 -1.75 0.00 1.63 -1.34 0.00 0.00 175.55 174.12 2jxa n LYS 120 N 8.07 0.82 -3.68 4.97 5.02 -1.26 -4.87 118.16 127.24 2jxa n LYS 120 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 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 -0.11 -0.12 -0.07 2.13 -0.85 0.20 -3.40 117.35 115.12 2jxa s TYR 121 Ca 0.00 -0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.47 2jxa s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.95 2jxa s TYR 121 CO 0.00 -0.60 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.18 2jxa s LEU 122 N -2.88 1.38 -0.11 -3.49 2.96 -0.93 -1.48 118.68 114.13 2jxa s LEU 122 Ca 0.12 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2jxa s LEU 122 Cb 0.01 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.99 2jxa s LEU 122 CO -0.01 -0.04 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.05 2jxa s GLU 123 N 1.08 3.05 -0.10 1.98 2.12 -0.95 -2.26 118.70 123.62 2jxa s GLU 123 Ca -0.07 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.38 2jxa s GLU 123 Cb -0.14 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 31.93 2jxa s GLU 123 CO -0.01 0.14 -0.07 0.08 -0.54 0.00 0.00 175.26 174.86 2jxa s VAL 124 N 0.44 0.95 -0.19 3.70 1.01 -0.34 -2.08 120.40 123.89 2jxa s VAL 124 Ca -0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2jxa s VAL 124 Cb -0.17 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2jxa s VAL 124 CO 0.07 0.35 0.00 -1.10 0.00 0.00 0.00 175.10 174.42 2jxa s GLN 125 N 1.61 3.67 0.19 2.72 -0.21 0.35 -1.97 119.66 126.01 2jxa s GLN 125 Ca 0.03 -0.50 -0.13 0.00 0.02 0.00 0.00 55.36 54.77 2jxa s GLN 125 Cb -0.13 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.81 2jxa s GLN 125 CO -0.06 0.07 0.42 1.52 -2.12 0.00 0.00 175.29 175.12 2jxa s TYR 126 N 0.85 0.16 0.26 0.91 1.13 -0.54 -1.33 117.35 118.79 2jxa s TYR 126 Ca 0.01 -0.51 0.12 0.00 -1.41 0.00 0.00 57.07 55.27 2jxa s TYR 126 Cb -0.14 0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.86 2jxa s TYR 126 CO 0.02 -0.85 -0.20 -0.51 -2.51 0.00 0.00 175.55 171.50 2jxa s ASP 127 N -2.93 3.47 -0.25 -0.18 1.11 -0.87 -1.23 116.67 115.79 2jxa s ASP 127 Ca 0.14 -1.00 -0.05 0.00 0.18 0.00 0.00 52.55 51.82 2jxa s ASP 127 Cb 0.01 -0.28 -0.00 0.00 1.07 0.00 0.00 42.92 43.72 2jxa s ASP 127 CO 0.00 0.04 0.01 0.00 1.18 0.00 0.00 175.17 176.39 2jxa s VAL 129 N 1.49 2.90 0.57 0.00 -7.23 -0.79 -4.82 120.40 112.53 2jxa s VAL 129 Ca 0.04 -1.65 -0.20 0.00 -1.81 0.00 0.00 61.98 58.36 2jxa s VAL 129 Cb -0.15 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2jxa s VAL 129 CO -0.01 -0.02 1.12 -2.65 -0.31 0.00 0.00 175.10 173.24 2jxa n PRO 130 N 0.42 1.20 0.00 4.82 -0.02 -1.26 0.00 135.00 140.17 2jxa n PRO 130 Ca -0.13 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 2jxa n PRO 130 Cb 0.54 -2.31 0.54 0.00 -0.02 0.00 0.00 33.50 32.25 2jxa n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jxa n TYR 131 N -1.40 0.00 -3.65 6.00 9.36 -1.22 -4.69 117.16 121.56 2jxa n TYR 131 Ca 0.12 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.98 2jxa n TYR 131 Cb 0.46 -0.25 -0.07 0.00 -0.63 0.00 0.00 39.34 38.84 2jxa n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jxa s LYS 132 N -2.51 4.11 0.04 2.98 1.02 -1.26 -5.07 119.74 119.05 2jxa s LYS 132 Ca 0.21 -0.03 -0.21 0.00 0.02 0.00 0.00 55.97 55.97 2jxa s LYS 132 Cb 0.14 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 2jxa s LYS 132 CO 0.31 0.35 0.62 0.54 -0.92 0.00 0.00 175.35 176.26 2jxa s VAL 133 N 0.16 4.79 0.00 3.17 0.11 -1.26 -5.17 120.40 122.19 2jxa s VAL 133 Ca 0.14 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2jxa s VAL 133 Cb -0.12 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 2jxa s VAL 133 CO 0.02 0.46 0.00 -0.62 -3.33 0.00 0.00 175.10 171.64