#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jot s VAL 2 N 0.00 5.14 0.52 1.61 1.01 0.58 -4.75 120.40 124.51 1jot s VAL 2 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 1jot s VAL 2 Cb 0.00 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1jot s VAL 2 CO 0.00 0.19 1.03 0.42 0.00 0.00 0.00 175.10 176.74 1jot s THR 3 N 1.68 3.96 0.07 3.92 -4.23 -1.26 -2.19 115.64 117.59 1jot s THR 3 Ca 0.21 1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.74 1jot s THR 3 Cb -0.15 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.19 1jot s THR 3 CO 0.09 -0.41 0.10 0.72 -0.54 0.00 0.00 174.62 174.58 1jot s PHE 4 N -2.26 0.28 -0.34 3.99 -0.12 0.34 -4.96 117.98 114.91 1jot s PHE 4 Ca 0.64 -0.73 0.04 0.00 -0.05 0.00 0.00 56.93 56.83 1jot s PHE 4 Cb -0.15 -0.19 0.17 0.00 -0.63 0.00 0.00 43.02 42.23 1jot s PHE 4 CO 0.27 -0.46 0.46 0.34 -0.05 0.00 0.00 175.22 175.79 1jot s ASP 5 N -2.75 -0.01 0.46 1.98 -1.08 -1.26 -1.08 116.67 112.92 1jot s ASP 5 Ca 0.04 -0.71 0.12 0.00 -0.52 0.00 0.00 52.55 51.48 1jot s ASP 5 Cb 0.05 1.24 1.05 0.00 -1.46 0.00 0.00 42.92 43.80 1jot s ASP 5 CO -0.10 -0.29 2.08 0.44 0.52 0.00 0.00 175.17 177.82 1jot h ASP 6 N 7.63 0.18 -1.31 -0.34 5.19 -1.28 -3.49 116.42 122.99 1jot h ASP 6 Ca -0.02 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1jot h ASP 6 Cb 1.12 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1jot h ASP 6 CO 0.20 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 177.11 1jot n GLY 7 N -1.38 -1.78 3.53 2.75 0.00 -1.25 -4.94 105.19 102.12 1jot n GLY 7 Ca -0.01 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1jot n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jot s ALA 8 N -1.59 2.82 0.00 4.61 0.00 -1.26 -3.91 121.76 122.43 1jot s ALA 8 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1jot s ALA 8 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1jot s ALA 8 CO 0.00 0.58 0.00 0.66 0.00 0.00 0.00 175.76 177.00 1jot n TYR 9 N 1.91 0.00 1.15 0.00 4.02 0.06 -5.01 117.16 119.29 1jot n TYR 9 Ca -0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.85 1jot n TYR 9 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.05 1jot n TYR 9 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1jot n THR 10 N 0.00 0.00 -3.93 -0.72 -1.04 -0.23 -4.88 114.28 103.48 1jot n THR 10 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1jot n THR 10 Cb 0.00 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1jot n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jot n GLY 11 N 1.34 -1.21 2.95 3.41 0.00 -1.20 -4.87 105.19 105.60 1jot n GLY 11 Ca 0.13 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1jot n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jot s ILE 12 N -3.00 0.78 -0.16 -0.61 1.01 -1.26 -1.61 121.20 116.34 1jot s ILE 12 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1jot s ILE 12 Cb 0.00 -0.75 -0.15 0.00 0.01 0.00 0.00 42.46 41.58 1jot s ILE 12 CO 0.00 0.27 -0.05 0.54 0.00 0.00 0.00 174.94 175.70 1jot n ARG 13 N 3.89 1.10 -3.65 2.79 1.74 -0.01 -4.78 116.66 117.73 1jot n ARG 13 Ca -0.24 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 1jot n ARG 13 Cb 0.51 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 1jot n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1jot s GLU 14 N -2.35 0.78 -0.09 5.56 2.12 -0.73 -0.68 118.70 123.32 1jot s GLU 14 Ca -0.15 0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.65 1jot s GLU 14 Cb 0.05 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1jot s GLU 14 CO 0.50 -0.17 -0.17 0.42 -0.54 0.00 0.00 175.26 175.30 1jot s ILE 15 N -0.45 1.51 -0.11 -3.70 1.01 -0.15 -0.42 121.20 118.89 1jot s ILE 15 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1jot s ILE 15 Cb -0.03 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1jot s ILE 15 CO 0.04 0.44 -0.18 0.20 0.00 0.00 0.00 174.94 175.44 1jot s ASN 16 N 0.64 2.65 0.13 3.58 0.02 -0.47 -0.42 114.94 121.07 1jot s ASN 16 Ca -0.14 -0.48 -0.14 0.00 -1.02 0.00 0.00 52.86 51.08 1jot s ASN 16 Cb -0.16 -1.21 0.02 0.00 0.02 0.00 0.00 41.25 39.92 1jot s ASN 16 CO 0.04 0.06 0.36 0.72 0.02 0.00 0.00 177.10 178.30 1jot s PHE 17 N 0.79 -0.06 0.20 2.20 -0.71 -0.84 -0.26 117.98 119.31 1jot s PHE 17 Ca -0.10 -0.29 0.07 0.00 -1.04 0.00 0.00 56.93 55.57 1jot s PHE 17 Cb -0.16 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1jot s PHE 17 CO 0.01 -0.69 0.10 -1.21 -1.34 0.00 0.00 175.22 172.08 1jot s GLU 18 N -3.84 2.69 0.01 1.99 2.02 -0.76 -0.79 118.70 120.02 1jot s GLU 18 Ca 0.05 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.80 1jot s GLU 18 Cb 0.02 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.81 1jot s GLU 18 CO -0.10 0.44 0.40 1.52 0.02 0.00 0.00 175.26 177.54 1jot s TYR 19 N -1.93 -0.27 -0.15 1.61 -0.85 -0.48 -0.76 117.35 114.52 1jot s TYR 19 Ca 0.31 0.34 -0.00 0.00 -0.52 0.00 0.00 57.07 57.19 1jot s TYR 19 Cb -0.09 0.19 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1jot s TYR 19 CO 0.22 -0.50 -0.07 1.21 -1.52 0.00 0.00 175.55 174.89 1jot s ASN 20 N -1.65 2.64 0.00 -0.18 3.84 -0.93 -0.85 114.94 117.81 1jot s ASN 20 Ca -0.09 -0.54 0.01 0.00 0.21 0.00 0.00 52.86 52.45 1jot s ASN 20 Cb -0.02 -0.93 0.07 0.00 -0.55 0.00 0.00 41.25 39.82 1jot s ASN 20 CO 0.02 -0.15 0.94 -1.20 -2.79 0.00 0.00 177.10 173.91 1jot n SER 21 N 4.88 0.00 -0.09 -4.21 7.64 -1.26 -1.57 113.62 119.01 1jot n SER 21 Ca -0.13 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.03 1jot n SER 21 Cb 0.49 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 1jot n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jot n GLU 22 N -1.38 0.98 0.00 1.43 1.02 -1.26 -4.63 120.64 116.80 1jot n GLU 22 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1jot n GLU 22 Cb 0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1jot n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jot n THR 23 N -2.75 0.00 -2.81 2.62 -2.24 -0.61 -5.00 114.28 103.50 1jot n THR 23 Ca -0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jot n THR 23 Cb 1.06 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1jot n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jot n ALA 24 N -3.00 0.00 -1.80 6.98 0.00 -1.20 -4.56 120.51 116.92 1jot n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1jot n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jot n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jot s ILE 25 N -2.90 3.97 0.00 0.00 -1.09 -0.54 -2.19 121.20 118.45 1jot s ILE 25 Ca 0.00 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 1jot s ILE 25 Cb 0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1jot s ILE 25 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1jot n GLY 26 N 1.51 0.83 3.67 6.18 0.00 0.06 0.02 105.19 117.45 1jot n GLY 26 Ca -0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1jot n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jot s GLY 27 N 0.00 1.65 -0.21 -0.02 0.00 -1.26 -3.87 107.32 103.61 1jot s GLY 27 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 1jot s GLY 27 CO 0.00 -0.23 1.02 0.48 0.00 0.00 0.00 173.10 174.37 1jot s LEU 28 N -6.77 -0.39 -0.03 0.66 2.34 0.02 -1.83 118.68 112.67 1jot s LEU 28 Ca 0.73 0.56 -0.01 0.00 0.06 0.00 0.00 54.13 55.47 1jot s LEU 28 Cb -0.06 1.85 0.02 0.00 -0.56 0.00 0.00 46.19 47.44 1jot s LEU 28 CO 0.55 -0.26 0.06 -0.60 -1.06 0.00 0.00 176.35 175.04 1jot s ARG 29 N -0.61 0.02 -0.04 1.48 3.52 0.64 -1.67 118.95 122.29 1jot s ARG 29 Ca 0.00 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1jot s ARG 29 Cb -0.02 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.20 1jot s ARG 29 CO -0.02 -0.12 -0.13 0.08 -0.81 0.00 0.00 175.30 174.31 1jot s VAL 30 N 0.75 3.17 -0.40 7.11 1.01 -1.26 -1.37 120.40 129.42 1jot s VAL 30 Ca -0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1jot s VAL 30 Cb -0.09 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.09 1jot s VAL 30 CO -0.03 0.55 0.22 -0.89 0.00 0.00 0.00 175.10 174.95 1jot s THR 31 N -0.78 4.12 0.64 3.92 2.01 0.43 -1.85 115.64 124.15 1jot s THR 31 Ca 0.12 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.78 1jot s THR 31 Cb -0.11 -3.47 0.06 0.00 0.01 0.00 0.00 72.50 68.99 1jot s THR 31 CO 0.02 -0.42 0.91 -0.31 -0.69 0.00 0.00 174.62 174.13 1jot s TYR 32 N 1.42 2.72 -0.08 4.92 2.02 0.21 -0.83 117.35 127.73 1jot s TYR 32 Ca 0.02 0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1jot s TYR 32 Cb -0.22 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 1jot s TYR 32 CO 0.02 -1.24 0.05 0.34 -1.57 0.00 0.00 175.55 173.15 1jot s ASP 33 N -4.51 5.58 -0.33 2.29 2.15 -0.64 -0.91 116.67 120.30 1jot s ASP 33 Ca 0.60 0.22 -0.00 0.00 0.43 0.00 0.00 52.55 53.79 1jot s ASP 33 Cb -0.10 -1.63 0.11 0.00 -0.30 0.00 0.00 42.92 41.00 1jot s ASP 33 CO 0.42 0.36 0.13 -0.22 -0.17 0.00 0.00 175.17 175.70 1jot s LEU 34 N -1.09 2.13 -1.50 -1.34 2.96 0.57 -1.06 118.68 119.34 1jot s LEU 34 Ca 0.16 -1.82 -0.10 0.00 -0.22 0.00 0.00 54.13 52.15 1jot s LEU 34 Cb -0.12 -0.83 0.07 0.00 0.50 0.00 0.00 46.19 45.81 1jot s LEU 34 CO 0.05 -0.38 0.80 0.59 -1.32 0.00 0.00 176.35 176.09 1jot n ASN 35 N 4.60 -3.09 0.00 3.68 5.03 -1.26 -1.95 115.26 122.26 1jot n ASN 35 Ca 0.01 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.59 1jot n ASN 35 Cb 0.40 -3.59 0.00 0.00 -1.02 0.00 0.00 39.78 35.57 1jot n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jot n GLY 36 N -1.66 0.71 3.21 7.41 0.00 -1.26 -5.07 105.19 108.53 1jot n GLY 36 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1jot n GLY 36 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jot s MET 37 N -0.70 1.10 0.38 1.61 0.23 -0.82 -5.12 119.30 115.97 1jot s MET 37 Ca 0.00 -0.93 -0.28 0.00 -1.03 0.00 0.00 55.69 53.45 1jot s MET 37 Cb 0.00 -1.21 -0.10 0.00 -1.53 0.00 0.00 34.83 31.99 1jot s MET 37 CO 0.00 0.29 1.41 -2.14 -2.03 0.00 0.00 175.02 172.55 1jot s PRO 38 N -1.40 4.11 -0.16 3.16 0.02 -1.26 -0.32 135.00 139.15 1jot s PRO 38 Ca 0.04 2.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.42 1jot s PRO 38 Cb -0.09 -2.93 0.06 0.00 0.02 0.00 0.00 34.50 31.56 1jot s PRO 38 CO 0.02 -0.47 0.08 0.12 -0.33 0.00 0.00 177.00 176.42 1jot s PHE 39 N -1.15 0.30 -0.22 6.54 2.19 -0.09 -4.82 117.98 120.73 1jot s PHE 39 Ca 0.53 -0.34 -0.22 0.00 0.33 0.00 0.00 56.93 57.23 1jot s PHE 39 Cb -0.43 -0.72 -0.02 0.00 -1.31 0.00 0.00 43.02 40.54 1jot s PHE 39 CO 0.58 -0.50 0.68 0.08 1.83 0.00 0.00 175.22 177.89 1jot s VAL 40 N 2.10 4.96 0.79 3.12 1.01 -1.26 -0.62 120.40 130.50 1jot s VAL 40 Ca 0.02 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 1jot s VAL 40 Cb -0.16 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.35 1jot s VAL 40 CO -0.08 0.04 1.11 0.00 0.00 0.00 0.00 175.10 176.17 1jot s ALA 41 N 2.29 2.98 0.37 5.51 0.00 -0.77 -5.00 121.76 127.15 1jot s ALA 41 Ca 0.30 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.79 1jot s ALA 41 Cb -0.16 -2.53 -0.11 0.00 0.00 0.00 0.00 23.12 20.32 1jot s ALA 41 CO 0.09 -1.70 1.43 0.39 0.00 0.00 0.00 175.76 175.97 1jot n GLU 42 N -3.18 2.50 -2.74 0.00 1.02 -1.26 -4.69 120.64 112.29 1jot n GLU 42 Ca 0.12 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.72 1jot n GLU 42 Cb 0.60 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.43 1jot n GLU 42 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jot s ASP 43 N -0.18 7.28 -0.49 1.62 2.15 -1.26 -4.61 116.67 121.17 1jot s ASP 43 Ca 0.54 1.56 -0.06 0.00 0.43 0.00 0.00 52.55 55.01 1jot s ASP 43 Cb -0.51 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 39.70 1jot s ASP 43 CO 0.63 -0.30 0.34 -1.00 -0.17 0.00 0.00 175.17 174.66 1jot s HIS 44 N 1.32 3.49 0.31 -5.34 3.76 -0.67 -5.02 115.29 113.15 1jot s HIS 44 Ca 0.49 -2.19 -0.08 0.00 -0.15 0.00 0.00 55.06 53.13 1jot s HIS 44 Cb -0.20 -3.38 -0.06 0.00 1.11 0.00 0.00 32.58 30.05 1jot s HIS 44 CO 0.24 -0.96 0.62 0.15 -0.85 0.00 0.00 174.74 173.94 1jot s LYS 45 N 1.01 3.72 0.65 1.40 1.02 -1.26 -0.80 119.74 125.48 1jot s LYS 45 Ca 0.09 0.22 -0.14 0.00 0.02 0.00 0.00 55.97 56.16 1jot s LYS 45 Cb -0.23 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1jot s LYS 45 CO -0.03 0.16 1.07 0.45 -0.92 0.00 0.00 175.35 176.08 1jot s SER 46 N -2.97 5.41 0.09 2.83 0.15 -1.26 -4.79 113.70 113.17 1jot s SER 46 Ca 0.47 1.79 0.24 0.00 0.70 0.00 0.00 55.95 59.15 1jot s SER 46 Cb -0.11 -2.52 0.96 0.00 -1.71 0.00 0.00 66.02 62.64 1jot s SER 46 CO 0.28 -1.42 1.76 0.49 1.20 0.00 0.00 173.24 175.55 1jot n PHE 47 N -2.59 0.36 -4.30 3.44 3.01 0.21 -4.86 117.46 112.73 1jot n PHE 47 Ca 0.09 0.12 -0.15 0.00 1.01 0.00 0.00 57.45 58.51 1jot n PHE 47 Cb 0.53 -0.69 -0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1jot n PHE 47 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1jot n ILE 48 N -1.81 0.00 -4.50 4.37 -5.35 -1.26 -5.00 119.36 105.81 1jot n ILE 48 Ca 0.05 -1.40 -0.23 0.00 -0.27 0.00 0.00 62.75 60.91 1jot n ILE 48 Cb 0.31 0.49 -0.05 0.00 -1.74 0.00 0.00 39.64 38.64 1jot n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jot n THR 49 N -0.55 0.00 -0.10 7.28 -2.24 -1.26 -4.92 114.28 112.49 1jot n THR 49 Ca -0.04 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 1jot n THR 49 Cb 0.36 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 1jot n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jot n GLY 50 N 0.23 1.07 3.91 3.38 0.00 -1.26 -5.10 105.19 107.41 1jot n GLY 50 Ca -0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1jot n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jot s PHE 51 N -2.00 3.02 -0.15 1.61 0.08 -1.26 -4.84 117.98 114.45 1jot s PHE 51 Ca 0.00 -0.25 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 1jot s PHE 51 Cb 0.00 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1jot s PHE 51 CO 0.00 0.14 0.03 0.15 -0.10 0.00 0.00 175.22 175.44 1jot s LYS 52 N -4.05 3.60 -0.00 0.44 1.02 -0.03 -4.87 119.74 115.84 1jot s LYS 52 Ca 0.42 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.86 1jot s LYS 52 Cb -0.07 -3.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1jot s LYS 52 CO 0.28 0.42 0.42 -1.25 -0.92 0.00 0.00 175.35 174.30 1jot s PRO 53 N -0.06 3.96 -0.06 -1.68 0.04 -1.26 -1.38 135.00 134.55 1jot s PRO 53 Ca 0.05 0.43 0.05 0.00 0.04 0.00 0.00 61.00 61.57 1jot s PRO 53 Cb -0.12 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1jot s PRO 53 CO 0.02 0.67 -0.22 0.54 0.04 0.00 0.00 177.00 178.05 1jot s VAL 54 N -1.01 1.79 -0.17 -0.36 0.11 0.03 -5.00 120.40 115.79 1jot s VAL 54 Ca 0.24 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.39 1jot s VAL 54 Cb -0.17 -1.52 0.02 0.00 -1.53 0.00 0.00 36.38 33.17 1jot s VAL 54 CO 0.14 0.50 -0.20 -0.75 -3.33 0.00 0.00 175.10 171.45 1jot s LYS 55 N -0.02 3.00 -0.34 1.54 2.20 -1.26 -1.98 119.74 122.88 1jot s LYS 55 Ca -0.05 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.68 1jot s LYS 55 Cb -0.13 -2.54 0.05 0.00 -1.51 0.00 0.00 37.83 33.70 1jot s LYS 55 CO 0.04 -0.16 0.09 0.42 -0.36 0.00 0.00 175.35 175.37 1jot s ILE 56 N 1.17 3.48 -0.34 5.43 1.01 0.44 -4.99 121.20 127.40 1jot s ILE 56 Ca 0.02 -1.34 -0.13 0.00 0.00 0.00 0.00 60.65 59.21 1jot s ILE 56 Cb -0.14 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1jot s ILE 56 CO -0.10 -0.23 0.23 -0.44 0.00 0.00 0.00 174.94 174.40 1jot s SER 57 N 1.44 6.02 0.26 3.58 0.01 -1.26 -0.97 113.70 122.78 1jot s SER 57 Ca -0.02 -0.42 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 1jot s SER 57 Cb -0.20 -2.13 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1jot s SER 57 CO 0.01 -0.23 0.71 -0.76 0.41 0.00 0.00 173.24 173.38 1jot s LEU 58 N 1.71 4.21 -1.57 2.44 1.43 0.14 -4.95 118.68 122.10 1jot s LEU 58 Ca 0.06 1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 54.38 1jot s LEU 58 Cb -0.17 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 1jot s LEU 58 CO 0.10 -0.07 2.82 -0.62 0.23 0.00 0.00 176.35 178.82 1jot n GLU 59 N 0.22 3.75 -1.74 1.70 1.02 -1.26 -4.86 120.64 119.48 1jot n GLU 59 Ca 0.00 -2.41 -0.42 0.00 -0.02 0.00 0.00 57.16 54.31 1jot n GLU 59 Cb 0.52 -2.82 -0.01 0.00 -0.02 0.00 0.00 31.44 29.11 1jot n GLU 59 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jot n PHE 60 N 3.55 2.69 0.83 -0.32 -0.00 -1.26 -1.20 117.46 121.76 1jot n PHE 60 Ca 0.74 0.41 0.12 0.00 -0.00 0.00 0.00 57.45 58.72 1jot n PHE 60 Cb 0.25 -2.52 0.19 0.00 -0.00 0.00 0.00 39.48 37.40 1jot n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1jot n PRO 61 N 1.18 2.30 0.22 -7.13 -0.04 -1.26 -4.85 135.00 125.42 1jot n PRO 61 Ca 0.05 -1.92 0.06 0.00 -0.04 0.00 0.00 63.50 61.66 1jot n PRO 61 Cb 0.37 -1.48 0.50 0.00 -0.04 0.00 0.00 33.50 32.84 1jot n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jot h SER 62 N 4.30 0.00 -3.32 3.54 4.64 -1.72 -3.41 113.55 117.58 1jot h SER 62 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1jot h SER 62 Cb 0.92 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.79 1jot h SER 62 CO 0.00 0.25 -0.68 -0.70 -0.87 0.00 0.00 176.83 174.82 1jot s GLU 63 N -4.31 3.62 0.05 4.77 2.12 -0.34 -4.96 118.70 119.65 1jot s GLU 63 Ca -0.03 -0.55 -0.05 0.00 0.36 0.00 0.00 54.97 54.70 1jot s GLU 63 Cb 0.14 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 1jot s GLU 63 CO 0.68 0.21 0.09 1.52 -0.54 0.00 0.00 175.26 177.21 1jot s TYR 64 N 0.44 0.27 0.17 5.30 1.13 -1.26 -4.16 117.35 119.24 1jot s TYR 64 Ca -0.04 -0.67 -0.31 0.00 -1.41 0.00 0.00 57.07 54.64 1jot s TYR 64 Cb -0.14 -0.18 -0.09 0.00 -1.10 0.00 0.00 41.96 40.44 1jot s TYR 64 CO 0.03 -0.41 1.45 0.42 -2.51 0.00 0.00 175.55 174.52 1jot s ILE 65 N -3.25 2.94 -0.06 -3.49 -1.09 -1.26 -2.97 121.20 112.02 1jot s ILE 65 Ca 0.00 0.71 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 1jot s ILE 65 Cb 0.03 -3.45 -0.12 0.00 -1.58 0.00 0.00 42.46 37.33 1jot s ILE 65 CO -0.08 0.07 0.19 0.52 -1.23 0.00 0.00 174.94 174.42 1jot n VAL 66 N 3.44 0.00 -3.61 2.92 0.31 0.17 -4.71 118.33 116.86 1jot n VAL 66 Ca 0.11 -0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 1jot n VAL 66 Cb 0.41 0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 33.68 1jot n VAL 66 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1jot s GLU 67 N -2.44 0.72 -0.07 5.55 2.12 -0.59 -1.59 118.70 122.40 1jot s GLU 67 Ca -0.02 0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.93 1jot s GLU 67 Cb 0.05 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.79 1jot s GLU 67 CO 0.33 -0.14 -0.16 0.08 -0.54 0.00 0.00 175.26 174.83 1jot s VAL 68 N -0.19 1.38 0.25 3.70 1.01 -0.90 0.09 120.40 125.74 1jot s VAL 68 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1jot s VAL 68 Cb -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1jot s VAL 68 CO 0.00 0.41 0.35 -0.94 0.00 0.00 0.00 175.10 174.91 1jot s SER 69 N 0.43 0.27 0.00 3.32 1.04 -0.94 0.55 113.70 118.37 1jot s SER 69 Ca -0.13 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1jot s SER 69 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1jot s SER 69 CO 0.04 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1jot n GLY 70 N -0.39 -1.24 3.15 7.32 0.00 -0.41 -1.70 105.19 111.91 1jot n GLY 70 Ca 0.01 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1jot n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jot s TYR 71 N -3.00 1.38 -0.06 1.61 1.51 -1.17 -0.57 117.35 117.05 1jot s TYR 71 Ca 0.00 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1jot s TYR 71 Cb 0.00 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1jot s TYR 71 CO 0.00 0.01 -0.17 0.14 -1.11 0.00 0.00 175.55 174.41 1jot s VAL 72 N -0.54 2.77 0.26 0.71 -7.23 0.14 -0.92 120.40 115.59 1jot s VAL 72 Ca 0.05 -0.82 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 1jot s VAL 72 Cb -0.07 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1jot s VAL 72 CO 0.00 0.58 0.45 0.61 -0.31 0.00 0.00 175.10 176.43 1jot n GLY 73 N 2.60 1.80 3.76 2.32 0.00 -0.48 -0.52 105.19 114.66 1jot n GLY 73 Ca -0.17 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 1jot n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jot s LYS 74 N -2.28 3.59 -0.07 1.61 1.02 -1.26 -0.38 119.74 121.97 1jot s LYS 74 Ca 0.15 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 1jot s LYS 74 Cb -0.02 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1jot s LYS 74 CO 0.11 0.57 -0.02 0.08 -0.92 0.00 0.00 175.35 175.17 1jot s VAL 75 N -0.45 0.49 -1.28 3.17 1.01 0.68 -4.75 120.40 119.28 1jot s VAL 75 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1jot s VAL 75 Cb -0.12 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1jot s VAL 75 CO 0.02 0.27 0.25 -0.62 0.00 0.00 0.00 175.10 175.02 1jot n GLU 76 N 4.89 -3.00 -0.44 2.72 -0.58 -1.26 -0.62 120.64 122.35 1jot n GLU 76 Ca -0.11 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1jot n GLU 76 Cb 0.50 -5.34 0.00 0.00 -0.57 0.00 0.00 31.44 26.03 1jot n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jot n GLY 77 N -1.06 1.46 3.86 0.62 0.00 -1.26 -5.03 105.19 103.78 1jot n GLY 77 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1jot n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jot s TYR 78 N -3.20 3.59 -0.38 1.61 2.02 0.21 -5.03 117.35 116.17 1jot s TYR 78 Ca 0.00 0.54 -0.23 0.00 -0.37 0.00 0.00 57.07 57.01 1jot s TYR 78 Cb 0.00 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1jot s TYR 78 CO 0.00 0.69 0.78 0.99 -1.57 0.00 0.00 175.55 176.44 1jot s THR 79 N -0.90 4.72 0.23 -0.71 2.01 -1.26 -0.23 115.64 119.50 1jot s THR 79 Ca 0.15 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1jot s THR 79 Cb -0.12 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1jot s THR 79 CO 0.04 -0.48 0.12 0.68 -0.69 0.00 0.00 174.62 174.29 1jot s VAL 80 N 3.13 0.22 -0.39 3.82 -7.23 0.49 -4.78 120.40 115.65 1jot s VAL 80 Ca 0.31 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 1jot s VAL 80 Cb -0.13 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1jot s VAL 80 CO 0.18 0.00 1.07 -0.63 -0.31 0.00 0.00 175.10 175.41 1jot s ILE 81 N -3.97 4.40 -0.25 -0.62 -1.09 -0.32 -1.39 121.20 117.97 1jot s ILE 81 Ca 0.38 1.42 0.23 0.00 -2.23 0.00 0.00 60.65 60.45 1jot s ILE 81 Cb 0.07 -4.48 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1jot s ILE 81 CO 0.13 -0.71 0.95 0.54 -1.23 0.00 0.00 174.94 174.62 1jot n ARG 82 N 7.25 0.57 -3.71 2.79 1.74 -0.09 -1.47 116.66 123.74 1jot n ARG 82 Ca 0.11 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1jot n ARG 82 Cb 0.48 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1jot n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jot s SER 83 N -5.02 -0.18 -0.12 0.55 0.15 -1.15 -0.65 113.70 107.28 1jot s SER 83 Ca -0.01 -0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 1jot s SER 83 Cb 0.11 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1jot s SER 83 CO 0.81 -0.67 0.33 -0.76 1.20 0.00 0.00 173.24 174.15 1jot s LEU 84 N -2.19 0.75 -0.02 3.45 1.43 -0.32 -3.06 118.68 118.73 1jot s LEU 84 Ca -0.03 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1jot s LEU 84 Cb -0.00 1.14 0.01 0.00 0.03 0.00 0.00 46.19 47.37 1jot s LEU 84 CO -0.05 -0.13 0.03 0.28 0.23 0.00 0.00 176.35 176.71 1jot s THR 85 N 0.10 -0.02 -0.17 5.49 -1.32 -0.69 -0.96 115.64 118.06 1jot s THR 85 Ca -0.01 0.09 -0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1jot s THR 85 Cb -0.02 -0.06 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 1jot s THR 85 CO 0.01 0.04 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.99 1jot s PHE 86 N 0.47 2.86 -0.18 9.09 0.08 0.14 -2.22 117.98 128.22 1jot s PHE 86 Ca -0.04 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 1jot s PHE 86 Cb -0.05 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1jot s PHE 86 CO -0.01 -0.44 0.10 0.21 -0.10 0.00 0.00 175.22 174.98 1jot s LYS 87 N 0.94 3.99 0.36 0.44 2.36 0.11 -0.69 119.74 127.25 1jot s LYS 87 Ca -0.02 -0.27 0.09 0.00 -2.55 0.00 0.00 55.97 53.22 1jot s LYS 87 Cb -0.15 -3.30 -0.06 0.00 -1.05 0.00 0.00 37.83 33.27 1jot s LYS 87 CO -0.01 0.35 -0.01 0.99 1.55 0.00 0.00 175.35 178.22 1jot s THR 88 N 0.18 2.34 -1.25 3.43 2.01 0.10 0.43 115.64 122.89 1jot s THR 88 Ca 0.07 -2.04 0.20 0.00 0.31 0.00 0.00 61.69 60.24 1jot s THR 88 Cb -0.12 -2.80 0.28 0.00 0.01 0.00 0.00 72.50 69.88 1jot s THR 88 CO -0.00 -0.15 1.65 -0.46 -0.69 0.00 0.00 174.62 174.97 1jot n ASN 89 N -0.92 0.00 -0.09 3.53 6.94 -1.16 -3.37 115.26 120.19 1jot n ASN 89 Ca -0.04 0.20 -0.15 0.00 -0.02 0.00 0.00 54.58 54.57 1jot n ASN 89 Cb 0.64 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 1jot n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1jot n LYS 90 N -1.37 0.41 -3.72 -3.83 4.01 -1.26 -5.07 118.16 107.32 1jot n LYS 90 Ca 0.08 0.13 -0.08 0.00 -0.51 0.00 0.00 58.31 57.93 1jot n LYS 90 Cb 0.19 -1.27 0.03 0.00 -0.51 0.00 0.00 35.03 33.47 1jot n LYS 90 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jot n GLN 91 N -3.34 1.02 -4.75 1.97 10.64 -1.22 -5.16 117.38 116.55 1jot n GLN 91 Ca -0.33 -2.04 -0.33 0.00 -1.83 0.00 0.00 57.00 52.47 1jot n GLN 91 Cb 0.80 2.58 -0.15 0.00 -0.86 0.00 0.00 30.24 32.61 1jot n GLN 91 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1jot s THR 92 N -2.11 2.96 -0.34 -0.39 2.01 -1.26 0.03 115.64 116.53 1jot s THR 92 Ca 0.17 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 1jot s THR 92 Cb -0.04 -2.24 0.06 0.00 0.01 0.00 0.00 72.50 70.28 1jot s THR 92 CO 0.10 0.52 0.09 -0.31 -0.69 0.00 0.00 174.62 174.33 1jot s TYR 93 N 0.43 3.31 -1.93 4.92 1.51 0.13 -5.00 117.35 120.72 1jot s TYR 93 Ca -0.10 -1.75 0.00 0.00 -1.01 0.00 0.00 57.07 54.21 1jot s TYR 93 Cb -0.16 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 1jot s TYR 93 CO 0.05 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1jot n GLY 94 N 4.71 0.52 3.83 0.71 0.00 -1.26 -0.68 105.19 113.01 1jot n GLY 94 Ca -0.11 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 1jot n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jot s PRO 95 N -0.77 3.06 -0.00 1.61 0.04 -1.26 -4.99 135.00 132.69 1jot s PRO 95 Ca 0.00 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.04 1jot s PRO 95 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1jot s PRO 95 CO 0.00 -1.00 -0.19 0.71 0.04 0.00 0.00 177.00 176.56 1jot s TYR 96 N -3.03 1.66 0.00 0.56 2.02 -0.14 -4.95 117.35 113.47 1jot s TYR 96 Ca 0.58 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1jot s TYR 96 Cb -0.14 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1jot s TYR 96 CO 0.54 -0.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 1jot n GLY 97 N 2.46 -1.79 3.60 0.71 0.00 -1.26 -1.17 105.19 107.73 1jot n GLY 97 Ca -0.15 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1jot n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jot s VAL 98 N 0.00 4.91 -1.43 1.61 1.01 0.18 -4.85 120.40 121.84 1jot s VAL 98 Ca 0.00 0.84 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 1jot s VAL 98 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1jot s VAL 98 CO 0.00 -0.18 2.67 0.35 0.00 0.00 0.00 175.10 177.94 1jot n THR 99 N 5.44 4.77 -4.59 3.92 -2.24 -1.26 -3.77 114.28 116.56 1jot n THR 99 Ca -0.01 -3.48 -0.22 0.00 -2.27 0.00 0.00 64.05 58.07 1jot n THR 99 Cb 0.49 -2.31 -0.15 0.00 -2.10 0.00 0.00 70.33 66.26 1jot n THR 99 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jot s ASN 100 N 1.20 1.56 0.00 3.42 0.02 -1.26 -5.04 114.94 114.84 1jot s ASN 100 Ca 0.61 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 52.21 1jot s ASN 100 Cb 0.19 -0.27 0.00 0.00 0.02 0.00 0.00 41.25 41.19 1jot s ASN 100 CO -0.08 0.14 0.00 0.61 0.02 0.00 0.00 177.10 177.79 1jot n GLY 101 N 2.94 0.31 3.63 0.66 0.00 -1.26 -4.39 105.19 107.09 1jot n GLY 101 Ca -0.16 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1jot n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jot s THR 102 N -0.48 5.08 0.65 2.61 2.01 0.32 -4.83 115.64 121.00 1jot s THR 102 Ca 0.00 0.91 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 1jot s THR 102 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1jot s THR 102 CO 0.00 0.12 1.05 -2.16 -0.69 0.00 0.00 174.62 172.94 1jot s PRO 103 N 2.06 3.38 0.01 4.92 0.04 -1.26 -0.68 135.00 143.47 1jot s PRO 103 Ca 0.22 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1jot s PRO 103 Cb -0.16 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1jot s PRO 103 CO 0.09 -0.72 0.33 -0.59 0.04 0.00 0.00 177.00 176.15 1jot s PHE 104 N -3.20 -0.18 -0.11 0.56 -0.12 0.27 -4.90 117.98 110.29 1jot s PHE 104 Ca 0.56 0.18 -0.15 0.00 -0.05 0.00 0.00 56.93 57.47 1jot s PHE 104 Cb -0.11 0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1jot s PHE 104 CO 0.54 -0.46 0.39 -1.54 -0.05 0.00 0.00 175.22 174.10 1jot s SER 105 N -1.68 -0.37 -0.45 1.98 1.04 -1.26 -1.29 113.70 111.67 1jot s SER 105 Ca -0.09 0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.99 1jot s SER 105 Cb -0.03 0.68 0.15 0.00 0.10 0.00 0.00 66.02 66.92 1jot s SER 105 CO 0.01 -0.24 0.29 -0.22 0.98 0.00 0.00 173.24 174.06 1jot s LEU 106 N -0.23 2.40 0.31 2.42 1.98 0.19 -4.98 118.68 120.76 1jot s LEU 106 Ca -0.04 -2.82 -0.21 0.00 -2.89 0.00 0.00 54.13 48.18 1jot s LEU 106 Cb -0.03 -0.87 -0.09 0.00 0.66 0.00 0.00 46.19 45.85 1jot s LEU 106 CO 0.02 -0.23 0.84 -2.16 -1.89 0.00 0.00 176.35 172.93 1jot s PRO 107 N 0.17 4.30 -0.13 0.98 0.05 -1.26 -2.13 135.00 136.98 1jot s PRO 107 Ca 0.22 1.02 0.01 0.00 0.05 0.00 0.00 61.00 62.31 1jot s PRO 107 Cb -0.15 -2.64 0.02 0.00 0.05 0.00 0.00 34.50 31.78 1jot s PRO 107 CO -0.06 0.23 -0.16 0.42 0.05 0.00 0.00 177.00 177.48 1jot s ILE 108 N -1.77 1.63 -0.08 0.56 1.01 -0.62 -5.00 121.20 116.93 1jot s ILE 108 Ca 0.51 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 1jot s ILE 108 Cb -0.15 -1.49 -0.29 0.00 0.01 0.00 0.00 42.46 40.55 1jot s ILE 108 CO 0.20 0.47 0.62 -0.33 0.00 0.00 0.00 174.94 175.89 1jot h GLU 109 N 7.62 0.29 -3.00 2.79 5.08 -1.97 -3.47 114.58 121.92 1jot h GLU 109 Ca -0.34 -0.50 -0.19 0.00 -1.00 0.00 0.00 59.36 57.32 1jot h GLU 109 Cb 1.16 0.19 -0.30 0.00 0.50 0.00 0.00 28.75 30.30 1jot h GLU 109 CO 0.52 1.24 -0.48 1.21 -1.00 0.00 0.00 179.01 180.49 1jot s ASN 110 N -7.11 -0.23 0.00 1.42 2.47 -1.26 -5.13 114.94 105.10 1jot s ASN 110 Ca -0.18 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1jot s ASN 110 Cb 0.04 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1jot s ASN 110 CO 0.80 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.62 1jot n GLY 111 N 4.30 2.67 3.14 1.21 0.00 -1.26 -5.02 105.19 110.23 1jot n GLY 111 Ca -0.24 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.59 1jot n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jot s LEU 112 N 0.00 2.16 -0.11 0.99 2.01 0.65 -4.96 118.68 119.42 1jot s LEU 112 Ca 0.00 -0.44 -0.28 0.00 0.01 0.00 0.00 54.13 53.42 1jot s LEU 112 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 46.19 45.55 1jot s LEU 112 CO 0.00 0.05 0.91 -0.63 1.01 0.00 0.00 176.35 177.69 1jot s ILE 113 N -0.80 4.85 0.00 -0.59 1.01 -1.26 -1.60 121.20 122.81 1jot s ILE 113 Ca 0.02 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1jot s ILE 113 Cb -0.08 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1jot s ILE 113 CO 0.01 0.05 0.77 0.55 0.00 0.00 0.00 174.94 176.32 1jot n VAL 114 N 4.46 0.56 0.00 2.92 3.14 -0.12 -4.52 118.33 124.76 1jot n VAL 114 Ca 0.06 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1jot n VAL 114 Cb 0.49 0.75 0.00 0.00 -1.06 0.00 0.00 33.84 34.02 1jot n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jot n GLY 115 N -0.28 0.80 3.11 7.55 0.00 -1.24 -0.76 105.19 114.36 1jot n GLY 115 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1jot n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jot s PHE 116 N -2.00 0.80 0.17 1.61 0.40 -1.25 -1.22 117.98 116.49 1jot s PHE 116 Ca 0.00 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.59 1jot s PHE 116 Cb 0.00 -0.47 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1jot s PHE 116 CO 0.00 -0.08 0.38 -1.59 0.70 0.00 0.00 175.22 174.63 1jot s LYS 117 N -2.24 1.21 0.00 0.44 -2.85 -1.13 -0.65 119.74 114.52 1jot s LYS 117 Ca -0.03 -0.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 1jot s LYS 117 Cb -0.06 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1jot s LYS 117 CO -0.01 -0.48 0.00 0.41 0.10 0.00 0.00 175.35 175.38 1jot n GLY 118 N -0.25 -0.51 3.17 0.59 0.00 -0.24 -1.61 105.19 106.33 1jot n GLY 118 Ca -0.10 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1jot n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jot s SER 119 N -4.00 -0.32 -0.04 1.61 0.15 -0.33 -0.50 113.70 110.27 1jot s SER 119 Ca 0.00 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1jot s SER 119 Cb 0.00 0.59 0.02 0.00 -1.71 0.00 0.00 66.02 64.92 1jot s SER 119 CO 0.00 -0.12 -0.04 -0.63 1.20 0.00 0.00 173.24 173.65 1jot s ILE 120 N 0.38 0.48 0.00 6.45 1.01 -0.93 0.44 121.20 129.04 1jot s ILE 120 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1jot s ILE 120 Cb -0.04 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1jot s ILE 120 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1jot n GLY 121 N 3.93 1.33 0.16 6.18 0.00 -1.26 -0.31 105.19 115.22 1jot n GLY 121 Ca -0.25 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1jot n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jot h TYR 122 N 0.00 0.92 -3.56 1.61 0.05 -1.93 0.61 116.97 114.67 1jot h TYR 122 Ca 0.00 -0.59 -0.38 0.00 0.05 0.00 0.00 58.73 57.81 1jot h TYR 122 Cb 0.00 -0.07 -0.14 0.00 1.01 0.00 0.00 36.73 37.53 1jot h TYR 122 CO 0.00 1.44 -0.61 -1.58 -1.05 0.00 0.00 178.16 176.36 1jot s TRP 123 N -2.92 1.64 -0.21 4.88 0.51 -1.26 -4.33 118.94 117.24 1jot s TRP 123 Ca -0.08 -1.15 -0.29 0.00 -2.12 0.00 0.00 56.10 52.46 1jot s TRP 123 Cb 0.06 -0.99 -0.04 0.00 -0.81 0.00 0.00 33.47 31.69 1jot s TRP 123 CO 0.92 -0.27 1.92 -1.17 -0.51 0.00 0.00 176.95 177.84 1jot s LEU 124 N -3.36 3.72 -0.02 2.99 2.96 0.10 -4.46 118.68 120.61 1jot s LEU 124 Ca 0.37 1.78 -0.23 0.00 -0.22 0.00 0.00 54.13 55.84 1jot s LEU 124 Cb 0.08 -3.52 -0.20 0.00 0.50 0.00 0.00 46.19 43.04 1jot s LEU 124 CO 0.14 -1.58 1.15 0.44 -1.32 0.00 0.00 176.35 175.18 1jot h ASP 125 N 12.74 0.28 -4.61 3.68 3.32 -0.31 -0.83 116.42 130.68 1jot h ASP 125 Ca -0.38 -0.66 0.22 0.00 0.02 0.00 0.00 57.03 56.22 1jot h ASP 125 Cb 1.20 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.50 1jot h ASP 125 CO 0.99 0.89 0.70 -0.72 -1.72 0.00 0.00 179.24 179.38 1jot s TYR 126 N -3.59 -0.18 0.10 4.55 -0.85 -1.20 -4.24 117.35 111.95 1jot s TYR 126 Ca -0.15 0.08 -0.15 0.00 -0.52 0.00 0.00 57.07 56.33 1jot s TYR 126 Cb 0.02 0.53 0.03 0.00 0.38 0.00 0.00 41.96 42.92 1jot s TYR 126 CO 0.75 -0.35 0.35 -0.59 -1.52 0.00 0.00 175.55 174.19 1jot s PHE 127 N -2.67 -0.13 0.20 -3.49 -0.71 -1.26 -1.19 117.98 108.73 1jot s PHE 127 Ca 0.09 -0.16 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1jot s PHE 127 Cb -0.00 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 1jot s PHE 127 CO -0.05 -0.64 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.02 1jot s SER 128 N -2.67 1.86 0.02 1.98 0.01 -0.63 -4.97 113.70 109.30 1jot s SER 128 Ca 0.02 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.20 1jot s SER 128 Cb 0.02 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1jot s SER 128 CO -0.10 -0.43 -0.17 -0.63 0.41 0.00 0.00 173.24 172.32 1jot s ILE 129 N -3.36 1.34 -0.05 1.44 1.01 -1.26 -2.84 121.20 117.47 1jot s ILE 129 Ca 0.24 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1jot s ILE 129 Cb 0.04 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1jot s ILE 129 CO 0.06 0.19 0.44 -0.31 0.00 0.00 0.00 174.94 175.32 1jot s TYR 130 N -0.66 3.63 0.13 3.97 1.51 -0.36 -4.99 117.35 120.58 1jot s TYR 130 Ca 0.05 0.94 0.11 0.00 -1.01 0.00 0.00 57.07 57.16 1jot s TYR 130 Cb -0.08 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1jot s TYR 130 CO 0.01 0.42 -0.27 -0.51 -1.11 0.00 0.00 175.55 174.09 1jot s LEU 131 N -0.29 2.32 0.01 -1.29 1.43 -1.26 -0.95 118.68 118.65 1jot s LEU 131 Ca 0.24 -0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 1jot s LEU 131 Cb -0.16 -1.21 0.10 0.00 0.03 0.00 0.00 46.19 44.95 1jot s LEU 131 CO 0.12 0.18 0.92 -0.55 0.23 0.00 0.00 176.35 177.24 1jot s SER 132 N -2.07 -0.32 0.00 2.29 0.15 -0.63 -4.90 113.70 108.23 1jot s SER 132 Ca 0.14 -0.07 0.28 0.00 0.70 0.00 0.00 55.95 57.00 1jot s SER 132 Cb -0.10 0.39 1.01 0.00 -1.71 0.00 0.00 66.02 65.61 1jot s SER 132 CO 0.06 -0.65 1.72 0.18 1.20 0.00 0.00 173.24 175.76