#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbr s LEU 2 N 0.00 3.83 0.00 -0.89 1.43 -1.26 -4.94 118.68 116.85 1rbr s LEU 2 Ca 0.00 2.64 0.21 0.00 -1.03 0.00 0.00 54.13 55.94 1rbr s LEU 2 Cb 0.00 -4.34 0.60 0.00 0.03 0.00 0.00 46.19 42.48 1rbr s LEU 2 CO 0.00 -1.52 1.47 0.29 0.23 0.00 0.00 176.35 176.83 1rbr n LYS 3 N -1.10 2.01 -3.83 1.70 4.76 -1.26 -4.87 118.16 115.57 1rbr n LYS 3 Ca 0.11 -1.52 -0.12 0.00 -2.87 0.00 0.00 58.31 53.90 1rbr n LYS 3 Cb 0.46 -1.42 -0.12 0.00 -1.84 0.00 0.00 35.03 32.10 1rbr n LYS 3 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1rbr s GLN 4 N -1.66 0.18 0.01 1.97 -0.21 -1.26 -4.93 119.66 113.76 1rbr s GLN 4 Ca 0.34 0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.53 1rbr s GLN 4 Cb 0.19 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1rbr s GLN 4 CO 0.27 -0.03 1.16 0.08 -2.12 0.00 0.00 175.29 174.66 1rbr s VAL 5 N -0.08 4.25 -0.16 1.09 1.01 0.57 -4.93 120.40 122.13 1rbr s VAL 5 Ca -0.02 1.60 -0.04 0.00 0.00 0.00 0.00 61.98 63.53 1rbr s VAL 5 Cb -0.02 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1rbr s VAL 5 CO 0.00 0.08 -0.04 -1.61 0.00 0.00 0.00 175.10 173.53 1rbr s GLU 6 N 1.46 3.62 -0.05 2.72 2.02 -1.13 -0.62 118.70 126.72 1rbr s GLU 6 Ca 0.57 -0.54 0.04 0.00 0.02 0.00 0.00 54.97 55.05 1rbr s GLU 6 Cb -0.26 -2.92 -0.00 0.00 0.10 0.00 0.00 34.13 31.05 1rbr s GLU 6 CO 0.26 0.18 -0.16 0.42 0.02 0.00 0.00 175.26 175.98 1rbr s ILE 7 N 0.52 1.35 -0.04 -1.63 1.01 -0.55 0.07 121.20 121.94 1rbr s ILE 7 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1rbr s ILE 7 Cb -0.14 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1rbr s ILE 7 CO 0.03 0.39 -0.10 -0.36 0.00 0.00 0.00 174.94 174.90 1rbr s PHE 8 N 0.14 1.14 0.03 3.97 0.40 -0.66 0.55 117.98 123.56 1rbr s PHE 8 Ca -0.06 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1rbr s PHE 8 Cb -0.12 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1rbr s PHE 8 CO 0.02 -0.14 -0.03 0.95 0.70 0.00 0.00 175.22 176.72 1rbr s THR 9 N 0.30 0.16 0.05 0.64 -4.23 -0.97 -0.91 115.64 110.68 1rbr s THR 9 Ca -0.06 -1.30 -0.27 0.00 -1.18 0.00 0.00 61.69 58.88 1rbr s THR 9 Cb -0.11 -0.81 0.08 0.00 1.34 0.00 0.00 72.50 73.00 1rbr s THR 9 CO 0.01 -0.72 0.70 -0.62 -0.54 0.00 0.00 174.62 173.46 1rbr s ASP 10 N -2.09 -0.55 0.02 3.99 -1.08 -0.51 -4.54 116.67 111.92 1rbr s ASP 10 Ca -0.06 0.24 -0.09 0.00 -0.52 0.00 0.00 52.55 52.12 1rbr s ASP 10 Cb -0.02 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1rbr s ASP 10 CO -0.05 -0.76 0.17 -0.83 0.52 0.00 0.00 175.17 174.23 1rbr s GLY 11 N -2.13 0.04 0.03 2.66 0.00 -1.26 -1.27 107.32 105.39 1rbr s GLY 11 Ca -0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 1rbr s GLY 11 CO -0.05 -0.38 0.18 -0.45 0.00 0.00 0.00 173.10 172.41 1rbr s SER 12 N -1.80 0.04 -0.16 1.64 0.15 0.37 -4.75 113.70 109.19 1rbr s SER 12 Ca -0.09 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 1rbr s SER 12 Cb -0.04 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1rbr s SER 12 CO -0.01 -0.53 0.41 0.00 1.20 0.00 0.00 173.24 174.31 1rbr h LEU 14 N 5.86 0.00 0.00 0.00 3.38 -1.35 -3.46 115.31 119.74 1rbr h LEU 14 Ca -0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1rbr h LEU 14 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rbr h LEU 14 CO 0.26 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1rbr n GLY 15 N 1.28 3.40 2.54 0.83 0.00 -1.26 -4.93 105.19 107.05 1rbr n GLY 15 Ca 0.04 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1rbr n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbr s ASN 16 N 0.08 0.47 0.58 1.61 2.47 -1.26 -3.60 114.94 115.30 1rbr s ASN 16 Ca 0.00 -2.50 -0.06 0.00 0.42 0.00 0.00 52.86 50.72 1rbr s ASN 16 Cb 0.00 0.41 0.00 0.00 -1.45 0.00 0.00 41.25 40.21 1rbr s ASN 16 CO 0.00 -0.14 0.90 -2.16 -3.72 0.00 0.00 177.10 171.98 1rbr s PRO 17 N 0.46 3.03 0.26 0.43 0.04 -1.26 -5.12 135.00 132.84 1rbr s PRO 17 Ca 0.30 0.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.22 1rbr s PRO 17 Cb 0.01 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1rbr s PRO 17 CO -0.13 -0.64 0.89 0.20 0.04 0.00 0.00 177.00 177.36 1rbr s GLY 18 N -4.27 0.12 0.27 0.56 0.00 -0.19 -4.87 107.32 98.93 1rbr s GLY 18 Ca 0.53 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1rbr s GLY 18 CO 0.46 0.67 1.39 -4.14 0.00 0.00 0.00 173.10 171.48 1rbr s PRO 19 N -2.65 4.30 0.30 2.90 0.02 -1.13 -0.24 135.00 138.50 1rbr s PRO 19 Ca 0.16 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.39 1rbr s PRO 19 Cb -0.04 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.38 1rbr s PRO 19 CO 0.07 -0.34 0.46 0.20 -0.33 0.00 0.00 177.00 177.06 1rbr s GLY 20 N 0.09 1.14 0.23 0.52 0.00 0.27 -1.02 107.32 108.54 1rbr s GLY 20 Ca 0.56 -1.30 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 1rbr s GLY 20 CO 0.46 -0.89 0.90 -0.32 0.00 0.00 0.00 173.10 173.26 1rbr s GLY 21 N -3.15 -0.01 0.10 0.20 0.00 0.00 0.30 107.32 104.75 1rbr s GLY 21 Ca 0.28 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1rbr s GLY 21 CO 0.16 0.49 -0.08 -2.52 0.00 0.00 0.00 173.10 171.15 1rbr s TYR 22 N -2.96 0.96 -0.04 1.90 -0.85 -0.93 -0.47 117.35 114.95 1rbr s TYR 22 Ca 0.15 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.90 1rbr s TYR 22 Cb -0.03 -0.54 0.02 0.00 0.38 0.00 0.00 41.96 41.79 1rbr s TYR 22 CO 0.06 -0.08 -0.05 0.20 -1.52 0.00 0.00 175.55 174.15 1rbr s GLY 23 N -2.85 0.47 -0.01 5.49 0.00 -0.40 -3.25 107.32 106.77 1rbr s GLY 23 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1rbr s GLY 23 CO -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 173.10 173.38 1rbr s ALA 24 N 0.78 0.35 -0.10 3.20 0.00 0.70 -1.42 121.76 125.27 1rbr s ALA 24 Ca -0.11 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.75 1rbr s ALA 24 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1rbr s ALA 24 CO 0.01 0.06 -0.22 0.42 0.00 0.00 0.00 175.76 176.03 1rbr s ILE 25 N 0.07 2.27 -0.09 0.00 1.01 -0.09 -0.39 121.20 123.97 1rbr s ILE 25 Ca -0.00 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1rbr s ILE 25 Cb -0.03 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1rbr s ILE 25 CO -0.00 0.56 -0.14 -0.22 0.00 0.00 0.00 174.94 175.13 1rbr s LEU 26 N 0.24 1.69 -0.52 2.97 2.96 0.66 -1.65 118.68 125.04 1rbr s LEU 26 Ca -0.14 -0.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1rbr s LEU 26 Cb -0.17 -1.02 0.13 0.00 0.50 0.00 0.00 46.19 45.64 1rbr s LEU 26 CO 0.07 0.02 0.44 -0.13 -1.32 0.00 0.00 176.35 175.43 1rbr s ARG 27 N 0.88 2.75 -0.02 1.98 0.52 0.11 -0.54 118.95 124.63 1rbr s ARG 27 Ca -0.09 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.33 1rbr s ARG 27 Cb -0.15 -4.11 0.02 0.00 0.52 0.00 0.00 34.95 31.23 1rbr s ARG 27 CO 0.01 -1.26 -0.01 -0.47 0.02 0.00 0.00 175.30 173.59 1rbr s TYR 28 N 1.37 0.35 0.00 -0.53 5.04 -0.85 -2.82 117.35 119.91 1rbr s TYR 28 Ca 0.05 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1rbr s TYR 28 Cb -0.27 -0.39 0.00 0.00 0.35 0.00 0.00 41.96 41.65 1rbr s TYR 28 CO 0.00 -0.11 0.00 0.54 -1.34 0.00 0.00 175.55 174.65 1rbr n ARG 29 N 3.87 0.00 -0.15 4.97 5.12 -1.26 -2.09 116.66 127.13 1rbr n ARG 29 Ca -0.24 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.73 1rbr n ARG 29 Cb 0.52 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.94 1rbr n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rbr n GLY 30 N 0.00 3.52 3.80 -0.13 0.00 -1.26 -4.69 105.19 106.44 1rbr n GLY 30 Ca 0.00 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1rbr n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rbr s ARG 31 N -1.74 2.45 -0.29 1.61 0.52 -0.89 -5.10 118.95 115.51 1rbr s ARG 31 Ca 0.21 -1.58 0.02 0.00 -0.52 0.00 0.00 55.73 53.87 1rbr s ARG 31 Cb 0.16 -2.25 0.08 0.00 0.52 0.00 0.00 34.95 33.46 1rbr s ARG 31 CO 0.07 -0.05 -0.00 -2.00 0.02 0.00 0.00 175.30 173.33 1rbr s GLU 32 N -3.98 1.60 -0.13 3.54 2.12 -1.26 -2.00 118.70 118.58 1rbr s GLU 32 Ca 0.43 -1.47 -0.11 0.00 0.36 0.00 0.00 54.97 54.19 1rbr s GLU 32 Cb -0.02 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 1rbr s GLU 32 CO 0.25 -0.78 0.22 0.15 -0.54 0.00 0.00 175.26 174.56 1rbr s LYS 33 N 1.14 3.88 -0.11 4.30 1.02 0.30 -4.94 119.74 125.33 1rbr s LYS 33 Ca 0.02 -0.00 0.02 0.00 0.02 0.00 0.00 55.97 56.04 1rbr s LYS 33 Cb -0.19 -3.30 -0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1rbr s LYS 33 CO -0.09 0.53 -0.20 0.99 -0.92 0.00 0.00 175.35 175.66 1rbr s THR 34 N -0.36 2.41 -0.02 2.17 2.01 -1.26 -0.24 115.64 120.35 1rbr s THR 34 Ca 0.15 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1rbr s THR 34 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1rbr s THR 34 CO 0.04 0.55 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.93 1rbr s PHE 35 N 0.37 2.01 -0.28 4.92 0.40 0.48 -4.99 117.98 120.89 1rbr s PHE 35 Ca -0.16 -0.38 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 1rbr s PHE 35 Cb -0.17 -1.29 0.12 0.00 0.51 0.00 0.00 43.02 42.19 1rbr s PHE 35 CO 0.07 -0.04 1.01 0.45 0.70 0.00 0.00 175.22 177.42 1rbr s SER 36 N -0.52 -0.47 -0.04 1.36 0.15 -1.26 -0.21 113.70 112.71 1rbr s SER 36 Ca 0.08 0.89 -0.27 0.00 0.70 0.00 0.00 55.95 57.35 1rbr s SER 36 Cb -0.09 0.93 0.06 0.00 -1.71 0.00 0.00 66.02 65.21 1rbr s SER 36 CO -0.01 -0.15 0.60 0.00 1.20 0.00 0.00 173.24 174.88 1rbr s ALA 37 N 0.32 -1.55 0.10 5.45 0.00 -1.20 -5.01 121.76 119.88 1rbr s ALA 37 Ca 0.02 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.14 1rbr s ALA 37 Cb -0.05 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1rbr s ALA 37 CO -0.07 -0.35 -0.13 0.20 0.00 0.00 0.00 175.76 175.41 1rbr s GLY 38 N -1.25 1.74 -0.04 0.00 0.00 -1.24 -2.20 107.32 104.33 1rbr s GLY 38 Ca -0.11 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.40 1rbr s GLY 38 CO 0.08 -1.23 -0.20 -0.19 0.00 0.00 0.00 173.10 171.56 1rbr s TYR 39 N -1.16 1.94 0.27 1.90 1.51 0.15 -1.24 117.35 120.72 1rbr s TYR 39 Ca 0.19 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1rbr s TYR 39 Cb -0.11 -1.28 0.36 0.00 -0.11 0.00 0.00 41.96 40.82 1rbr s TYR 39 CO 0.12 -0.15 1.93 1.79 -1.11 0.00 0.00 175.55 178.13 1rbr h THR 40 N 5.04 1.23 -2.62 -0.71 1.35 -1.51 0.78 112.91 116.48 1rbr h THR 40 Ca -0.34 -0.49 -0.30 0.00 -0.55 0.00 0.00 66.41 64.73 1rbr h THR 40 Cb 1.17 0.01 -0.35 0.00 -1.73 0.00 0.00 68.15 67.24 1rbr h THR 40 CO 0.48 0.24 -0.62 -0.60 -0.25 0.00 0.00 175.52 174.77 1rbr s ARG 41 N -5.90 0.17 0.00 4.72 3.52 -1.26 -2.86 118.95 117.35 1rbr s ARG 41 Ca -0.12 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1rbr s ARG 41 Cb 0.17 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.59 1rbr s ARG 41 CO 0.81 -0.58 0.00 -2.37 -0.81 0.00 0.00 175.30 172.35 1rbr n THR 42 N 5.32 0.00 -4.23 4.11 5.66 0.67 -4.35 114.28 121.47 1rbr n THR 42 Ca -0.05 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1rbr n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1rbr n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rbr s THR 43 N -2.81 0.90 0.13 1.09 -4.23 -1.26 -1.03 115.64 108.43 1rbr s THR 43 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 1rbr s THR 43 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.93 1rbr s THR 43 CO 0.00 -0.70 1.69 -1.13 -0.54 0.00 0.00 174.62 173.95 1rbr h ASN 44 N 2.80 -0.25 -0.76 3.99 -1.24 -1.86 -2.02 115.58 116.24 1rbr h ASN 44 Ca -0.36 0.07 0.07 0.00 0.71 0.00 0.00 56.30 56.79 1rbr h ASN 44 Cb 1.19 0.15 -0.06 0.00 0.73 0.00 0.00 38.32 40.33 1rbr h ASN 44 CO 0.64 -0.10 0.44 0.78 -1.29 0.00 0.00 177.43 177.90 1rbr h ASN 45 N -0.04 0.65 0.21 1.15 -0.26 -1.96 -1.78 115.58 113.55 1rbr h ASN 45 Ca 0.10 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.76 1rbr h ASN 45 Cb 0.19 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1rbr h ASN 45 CO -0.23 0.40 -0.44 0.03 -1.06 0.00 0.00 177.43 176.14 1rbr h ARG 46 N 0.78 0.29 -0.20 0.81 3.08 -1.87 -2.66 114.38 114.61 1rbr h ARG 46 Ca 0.35 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 1rbr h ARG 46 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1rbr h ARG 46 CO -0.20 0.68 -0.64 0.52 -1.07 0.00 0.00 179.97 179.26 1rbr h MET 47 N 0.24 0.72 -0.43 0.04 2.86 -0.95 0.53 114.93 117.94 1rbr h MET 47 Ca 0.02 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.07 1rbr h MET 47 Cb 0.87 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1rbr h MET 47 CO 0.07 1.13 -0.07 0.93 1.06 0.00 0.00 176.91 180.03 1rbr h GLU 48 N 0.53 0.74 -0.17 1.72 5.08 -1.32 -0.26 114.58 120.90 1rbr h GLU 48 Ca -0.01 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.00 1rbr h GLU 48 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1rbr h GLU 48 CO 0.13 0.80 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.47 1rbr h LEU 49 N 0.68 0.64 -1.28 1.33 3.38 -1.40 -3.14 115.31 115.52 1rbr h LEU 49 Ca 0.12 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1rbr h LEU 49 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1rbr h LEU 49 CO 0.03 1.10 0.30 -0.03 0.09 0.00 0.00 178.44 179.92 1rbr h MET 50 N 0.22 0.79 -0.06 1.13 4.05 -0.69 -1.51 114.93 118.87 1rbr h MET 50 Ca -0.00 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1rbr h MET 50 Cb 1.01 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.60 1rbr h MET 50 CO 0.09 0.60 -0.31 0.00 0.23 0.00 0.00 176.91 177.51 1rbr h ALA 51 N 1.53 -0.41 -0.68 0.39 0.00 -1.00 -2.13 119.26 116.96 1rbr h ALA 51 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1rbr h ALA 51 Cb 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1rbr h ALA 51 CO -0.03 -0.81 0.25 0.00 0.00 0.00 0.00 179.25 178.66 1rbr h ALA 52 N 0.35 1.16 0.20 0.00 0.00 -1.50 -3.04 119.26 116.44 1rbr h ALA 52 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rbr h ALA 52 Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rbr h ALA 52 CO -0.30 0.60 -0.10 0.82 0.00 0.00 0.00 179.25 180.27 1rbr h ILE 53 N 0.99 0.83 -0.65 0.00 2.04 -0.64 -2.66 117.51 117.42 1rbr h ILE 53 Ca 0.23 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1rbr h ILE 53 Cb 0.22 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1rbr h ILE 53 CO -0.02 0.04 0.40 0.58 0.00 0.00 0.00 178.15 179.15 1rbr h VAL 54 N -0.35 1.18 -0.44 1.67 2.07 -1.48 0.14 116.25 119.03 1rbr h VAL 54 Ca -0.03 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 66.99 1rbr h VAL 54 Cb 0.27 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1rbr h VAL 54 CO 0.05 0.18 -0.19 0.00 0.02 0.00 0.00 177.57 177.63 1rbr h ALA 55 N 1.55 0.83 0.08 1.67 0.00 -1.47 -2.80 119.26 119.12 1rbr h ALA 55 Ca 0.23 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1rbr h ALA 55 Cb -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1rbr h ALA 55 CO -0.05 0.65 -1.13 -0.07 0.00 0.00 0.00 179.25 178.65 1rbr h LEU 56 N 0.77 0.33 -1.79 0.00 3.38 -1.16 -3.09 115.31 113.75 1rbr h LEU 56 Ca 0.11 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1rbr h LEU 56 Cb 0.72 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1rbr h LEU 56 CO 0.06 1.23 0.00 -0.33 0.09 0.00 0.00 178.44 179.49 1rbr h GLU 57 N 0.07 0.00 0.00 1.13 5.08 -0.66 -1.67 114.58 118.53 1rbr h GLU 57 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1rbr h GLU 57 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1rbr h GLU 57 CO 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1rbr h ALA 58 N 2.05 1.00 -1.64 3.43 0.00 -1.40 -3.43 119.26 119.27 1rbr h ALA 58 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1rbr h ALA 58 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1rbr h ALA 58 CO 0.00 0.00 1.05 -0.51 0.00 0.00 0.00 179.25 179.79 1rbr s LEU 59 N -5.92 3.47 0.00 0.00 1.43 -0.63 -4.91 118.68 112.12 1rbr s LEU 59 Ca 0.04 0.36 0.28 0.00 -1.03 0.00 0.00 54.13 53.78 1rbr s LEU 59 Cb 0.08 -3.23 1.39 0.00 0.03 0.00 0.00 46.19 44.46 1rbr s LEU 59 CO 0.58 -1.55 1.95 0.29 0.23 0.00 0.00 176.35 177.85 1rbr n LYS 60 N 8.41 0.36 -3.59 1.70 4.76 -1.26 -4.87 118.16 123.67 1rbr n LYS 60 Ca 0.12 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.48 1rbr n LYS 60 Cb 0.49 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 1rbr n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rbr s GLU 61 N -2.60 1.16 -0.02 1.97 1.03 -1.26 -5.12 118.70 113.85 1rbr s GLU 61 Ca 0.25 -0.67 -0.30 0.00 0.03 0.00 0.00 54.97 54.29 1rbr s GLU 61 Cb 0.19 0.50 -0.08 0.00 -0.80 0.00 0.00 34.13 33.94 1rbr s GLU 61 CO 0.43 -0.47 2.00 -2.14 -1.33 0.00 0.00 175.26 173.75 1rbr s PRO 62 N -3.80 3.95 0.43 -4.83 0.02 -1.26 -4.95 135.00 124.56 1rbr s PRO 62 Ca 0.03 2.48 0.05 0.00 0.02 0.00 0.00 61.00 63.58 1rbr s PRO 62 Cb 0.01 -4.20 -0.06 0.00 0.02 0.00 0.00 34.50 30.28 1rbr s PRO 62 CO -0.11 -1.17 0.02 0.00 -0.33 0.00 0.00 177.00 175.41 1rbr s GLU 64 N -3.78 2.72 0.09 0.00 2.02 -1.26 -1.32 118.70 117.18 1rbr s GLU 64 Ca 0.26 -1.11 0.07 0.00 0.02 0.00 0.00 54.97 54.21 1rbr s GLU 64 Cb 0.07 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1rbr s GLU 64 CO 0.13 -0.62 -0.11 0.08 0.02 0.00 0.00 175.26 174.76 1rbr s VAL 65 N 1.42 3.28 -0.15 2.63 1.01 0.09 -0.32 120.40 128.36 1rbr s VAL 65 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1rbr s VAL 65 Cb -0.19 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1rbr s VAL 65 CO 0.03 0.15 -0.11 -0.51 0.00 0.00 0.00 175.10 174.66 1rbr s ILE 66 N -1.17 1.40 -0.15 2.22 1.10 0.20 -1.06 121.20 123.75 1rbr s ILE 66 Ca 0.20 -0.63 -0.02 0.00 -0.51 0.00 0.00 60.65 59.69 1rbr s ILE 66 Cb -0.11 -1.41 -0.02 0.00 0.15 0.00 0.00 42.46 41.08 1rbr s ILE 66 CO 0.12 0.33 -0.09 -0.22 -2.11 0.00 0.00 174.94 172.97 1rbr s LEU 67 N 1.54 2.89 -0.18 8.50 0.20 0.21 -1.48 118.68 130.37 1rbr s LEU 67 Ca 0.03 -0.28 -0.00 0.00 0.69 0.00 0.00 54.13 54.57 1rbr s LEU 67 Cb -0.14 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 43.95 1rbr s LEU 67 CO -0.09 0.14 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.41 1rbr s SER 68 N 0.50 3.60 -0.07 3.68 0.15 0.19 0.72 113.70 122.47 1rbr s SER 68 Ca -0.07 -0.52 -0.26 0.00 0.70 0.00 0.00 55.95 55.81 1rbr s SER 68 Cb -0.15 -1.57 0.06 0.00 -1.71 0.00 0.00 66.02 62.65 1rbr s SER 68 CO 0.04 0.03 0.58 0.28 1.20 0.00 0.00 173.24 175.37 1rbr s THR 69 N 1.13 0.01 -1.30 6.45 -1.32 -0.84 -2.30 115.64 117.48 1rbr s THR 69 Ca 0.01 -0.12 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 1rbr s THR 69 Cb -0.14 -0.88 0.64 0.00 -1.51 0.00 0.00 72.50 70.61 1rbr s THR 69 CO -0.05 -0.07 1.55 -0.90 -2.21 0.00 0.00 174.62 172.94 1rbr n ASP 70 N 1.25 4.28 -4.63 8.08 5.75 -1.26 -2.17 116.55 127.86 1rbr n ASP 70 Ca -0.19 -2.29 -0.43 0.00 -0.01 0.00 0.00 54.79 51.87 1rbr n ASP 70 Cb 0.57 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1rbr n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rbr s SER 71 N -1.00 6.70 0.24 -1.12 0.15 -1.26 -4.75 113.70 112.66 1rbr s SER 71 Ca 0.47 1.30 -0.03 0.00 0.70 0.00 0.00 55.95 58.39 1rbr s SER 71 Cb 0.28 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.34 1rbr s SER 71 CO 0.25 -1.04 1.73 -0.61 1.20 0.00 0.00 173.24 174.78 1rbr h GLN 72 N 9.17 0.84 -0.33 5.44 4.15 -1.96 -2.20 115.11 130.22 1rbr h GLN 72 Ca -0.26 -0.24 -0.07 0.00 0.77 0.00 0.00 58.65 58.84 1rbr h GLN 72 Cb 1.10 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1rbr h GLN 72 CO 1.02 0.85 -0.08 -0.92 -1.93 0.00 0.00 178.83 177.77 1rbr h TYR 73 N 0.77 0.72 -0.24 3.99 3.20 -1.97 0.26 116.97 123.69 1rbr h TYR 73 Ca 0.15 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1rbr h TYR 73 Cb 0.49 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1rbr h TYR 73 CO 0.03 0.81 0.04 0.28 -1.64 0.00 0.00 178.16 177.68 1rbr h VAL 74 N 0.42 1.23 -0.03 1.81 2.07 -1.92 -1.86 116.25 117.97 1rbr h VAL 74 Ca 0.08 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1rbr h VAL 74 Cb 0.58 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1rbr h VAL 74 CO 0.03 0.24 -0.18 -0.09 0.02 0.00 0.00 177.57 177.60 1rbr h ARG 75 N 0.21 -0.26 -0.45 1.57 2.43 -1.23 0.33 114.38 116.96 1rbr h ARG 75 Ca 0.07 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1rbr h ARG 75 Cb 0.33 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1rbr h ARG 75 CO 0.01 -0.18 0.09 1.96 -1.51 0.00 0.00 179.97 180.34 1rbr h GLN 76 N -0.27 0.22 0.73 0.20 4.20 -0.49 0.19 115.11 119.87 1rbr h GLN 76 Ca 0.06 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1rbr h GLN 76 Cb 0.36 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.10 1rbr h GLN 76 CO -0.19 0.14 -0.35 0.78 -0.67 0.00 0.00 178.83 178.55 1rbr h GLY 77 N 0.22 -1.02 1.67 3.46 0.00 -1.06 -0.62 103.07 105.72 1rbr h GLY 77 Ca 0.22 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 1rbr h GLY 77 CO -0.30 -0.37 0.18 -2.22 0.00 0.00 0.00 176.54 173.83 1rbr h ILE 78 N -1.03 1.11 0.00 2.60 1.08 -0.72 -0.26 117.51 120.29 1rbr h ILE 78 Ca -0.10 -0.27 -0.29 0.00 -0.39 0.00 0.00 64.86 63.82 1rbr h ILE 78 Cb 0.76 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 1rbr h ILE 78 CO 0.16 0.12 -2.11 0.35 -0.69 0.00 0.00 178.15 175.97 1rbr n THR 79 N -4.45 1.22 -0.01 -0.27 -2.24 0.64 -4.77 114.28 104.40 1rbr n THR 79 Ca 0.02 -0.78 -0.01 0.00 -2.27 0.00 0.00 64.05 61.00 1rbr n THR 79 Cb 0.10 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1rbr n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rbr n GLN 80 N -2.75 3.22 -0.10 -0.78 6.02 -0.25 -4.98 117.38 117.76 1rbr n GLN 80 Ca -0.24 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.54 1rbr n GLN 80 Cb 1.03 -1.05 -0.07 0.00 1.02 0.00 0.00 30.24 31.16 1rbr n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1rbr n TRP 81 N -2.14 0.00 -0.33 1.08 8.01 -0.94 -4.69 117.44 118.44 1rbr n TRP 81 Ca -0.03 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.34 1rbr n TRP 81 Cb 0.56 -0.72 0.36 0.00 -2.01 0.00 0.00 31.31 29.50 1rbr n TRP 81 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 1rbr h ILE 82 N -0.66 0.10 0.24 -0.99 2.04 -1.35 -0.28 117.51 116.60 1rbr h ILE 82 Ca -0.51 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1rbr h ILE 82 Cb 1.46 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1rbr h ILE 82 CO -0.29 0.01 -0.19 -0.74 0.00 0.00 0.00 178.15 176.94 1rbr h HIS 83 N 0.07 -0.49 -0.50 1.37 2.76 -1.85 -2.56 115.15 113.93 1rbr h HIS 83 Ca 0.65 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.75 1rbr h HIS 83 Cb 1.45 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.57 1rbr h HIS 83 CO -0.31 -0.29 0.05 -0.91 -1.30 0.00 0.00 177.93 175.17 1rbr h ASN 84 N -0.44 0.77 0.09 3.26 2.35 -1.49 -2.72 115.58 117.39 1rbr h ASN 84 Ca -0.01 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 1rbr h ASN 84 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1rbr h ASN 84 CO -0.01 0.80 -0.32 -0.50 -1.65 0.00 0.00 177.43 175.75 1rbr h TRP 85 N 0.77 0.39 -0.15 1.19 6.55 -1.04 -2.32 115.95 121.34 1rbr h TRP 85 Ca 0.16 -0.09 -0.06 0.00 0.95 0.00 0.00 58.89 59.85 1rbr h TRP 85 Cb 0.39 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1rbr h TRP 85 CO 0.02 0.63 -0.15 0.87 -1.05 0.00 0.00 178.44 178.76 1rbr h LYS 86 N 0.30 0.37 -0.21 0.49 1.57 -1.18 1.84 116.57 119.74 1rbr h LYS 86 Ca 0.04 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1rbr h LYS 86 Cb 0.71 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1rbr h LYS 86 CO 0.05 0.75 0.16 0.87 -0.57 0.00 0.00 179.45 180.71 1rbr h LYS 87 N -0.00 0.00 -0.51 3.15 1.79 -1.37 -1.90 116.57 117.73 1rbr h LYS 87 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1rbr h LYS 87 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1rbr h LYS 87 CO 0.04 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.95 1rbr n ARG 88 N -4.41 4.40 -3.34 3.15 1.74 -0.88 -4.96 116.66 112.35 1rbr n ARG 88 Ca 0.02 -3.08 -0.24 0.00 -0.77 0.00 0.00 57.85 53.78 1rbr n ARG 88 Cb 0.30 -2.15 0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1rbr n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbr n GLY 89 N 0.41 -0.52 2.82 -0.13 0.00 -0.71 -2.93 105.19 104.13 1rbr n GLY 89 Ca 0.26 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1rbr n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rbr n TRP 90 N -4.53 -1.68 -4.33 1.61 7.02 0.62 -4.99 117.44 111.17 1rbr n TRP 90 Ca -0.04 0.45 -0.21 0.00 -1.02 0.00 0.00 57.50 56.67 1rbr n TRP 90 Cb 0.58 -4.00 -0.11 0.00 -2.42 0.00 0.00 31.31 25.36 1rbr n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rbr s LYS 91 N -5.52 1.28 1.01 -0.99 1.02 -1.15 -1.56 119.74 113.83 1rbr s LYS 91 Ca 0.26 -1.45 -0.17 0.00 0.02 0.00 0.00 55.97 54.63 1rbr s LYS 91 Cb -0.11 -1.27 0.24 0.00 -0.52 0.00 0.00 37.83 36.17 1rbr s LYS 91 CO 0.32 0.25 1.26 0.25 -0.92 0.00 0.00 175.35 176.50 1rbr n THR 92 N 0.12 0.00 0.17 2.17 -2.24 0.16 -4.81 114.28 109.86 1rbr n THR 92 Ca -0.12 -0.86 0.01 0.00 -2.27 0.00 0.00 64.05 60.81 1rbr n THR 92 Cb 0.58 -1.46 0.28 0.00 -2.10 0.00 0.00 70.33 67.63 1rbr n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rbr h ALA 93 N -1.99 1.17 -0.44 6.98 0.00 -2.00 -2.80 119.26 120.18 1rbr h ALA 93 Ca -0.42 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1rbr h ALA 93 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rbr h ALA 93 CO 0.29 0.59 0.00 -0.40 0.00 0.00 0.00 179.25 179.73 1rbr n ASP 94 N -3.90 3.69 -1.39 0.00 5.68 -1.26 -4.91 116.55 114.46 1rbr n ASP 94 Ca -0.01 -2.40 -0.13 0.00 -0.50 0.00 0.00 54.79 51.75 1rbr n ASP 94 Cb 0.50 -0.52 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 1rbr n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rbr n LYS 95 N 0.64 -1.01 -3.47 0.11 4.76 -1.06 -5.05 118.16 113.09 1rbr n LYS 95 Ca 0.18 0.68 -0.20 0.00 -2.87 0.00 0.00 58.31 56.11 1rbr n LYS 95 Cb 0.73 -4.87 -0.02 0.00 -1.84 0.00 0.00 35.03 29.03 1rbr n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rbr s LYS 96 N -4.38 2.79 0.48 1.97 1.02 -1.26 -4.78 119.74 115.58 1rbr s LYS 96 Ca 0.00 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.48 1rbr s LYS 96 Cb 0.00 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1rbr s LYS 96 CO 0.00 -0.08 1.24 -2.14 -0.92 0.00 0.00 175.35 173.45 1rbr s PRO 97 N -4.16 3.58 0.76 -1.68 0.02 -1.26 0.41 135.00 132.66 1rbr s PRO 97 Ca 0.47 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 1rbr s PRO 97 Cb -0.07 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 32.11 1rbr s PRO 97 CO 0.30 -0.75 1.12 0.14 -0.33 0.00 0.00 177.00 177.48 1rbr s VAL 98 N -1.44 2.92 0.12 3.83 -7.23 -0.60 -4.66 120.40 113.36 1rbr s VAL 98 Ca 0.65 0.36 -0.31 0.00 -1.81 0.00 0.00 61.98 60.87 1rbr s VAL 98 Cb -0.33 -2.79 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 1rbr s VAL 98 CO 0.40 -0.33 1.44 -0.75 -0.31 0.00 0.00 175.10 175.55 1rbr s LYS 99 N -4.46 4.29 -1.45 4.82 2.20 -1.26 -2.39 119.74 121.48 1rbr s LYS 99 Ca 0.66 2.15 -0.02 0.00 -0.36 0.00 0.00 55.97 58.40 1rbr s LYS 99 Cb -0.21 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1rbr s LYS 99 CO 0.50 -0.49 0.30 0.09 -0.36 0.00 0.00 175.35 175.39 1rbr n ASN 100 N 4.04 -5.46 -0.14 1.43 3.02 -1.26 -4.88 115.26 112.01 1rbr n ASN 100 Ca 0.12 -0.15 0.20 0.00 -0.03 0.00 0.00 54.58 54.72 1rbr n ASN 100 Cb 0.41 -4.40 0.59 0.00 -0.61 0.00 0.00 39.78 35.78 1rbr n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rbr h VAL 101 N -0.69 0.71 -0.21 2.41 3.04 -1.84 -0.93 116.25 118.74 1rbr h VAL 101 Ca -0.45 -0.08 0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1rbr h VAL 101 Cb 1.32 0.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 1rbr h VAL 101 CO 0.51 0.04 -0.02 -2.24 -1.01 0.00 0.00 177.57 174.85 1rbr h ASP 102 N 0.23 -0.12 -0.01 3.17 2.03 -1.89 -0.09 116.42 119.74 1rbr h ASP 102 Ca 0.37 0.05 -0.19 0.00 -0.73 0.00 0.00 57.03 56.53 1rbr h ASP 102 Cb 1.10 0.10 0.01 0.00 -0.83 0.00 0.00 39.33 39.72 1rbr h ASP 102 CO -0.08 -0.03 -0.73 -0.07 -1.03 0.00 0.00 179.24 177.30 1rbr h LEU 103 N 0.04 0.66 -1.44 0.15 3.38 -1.67 -2.39 115.31 114.03 1rbr h LEU 103 Ca 0.10 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1rbr h LEU 103 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1rbr h LEU 103 CO -0.18 1.32 0.16 -0.50 0.09 0.00 0.00 178.44 179.33 1rbr h TRP 104 N 0.06 0.53 -0.23 1.13 4.06 -1.14 0.16 115.95 120.53 1rbr h TRP 104 Ca -0.09 -0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.67 1rbr h TRP 104 Cb 1.42 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1rbr h TRP 104 CO 0.13 0.41 -0.56 1.96 -3.56 0.00 0.00 178.44 176.83 1rbr h GLN 105 N 0.54 0.71 -0.44 0.49 4.20 -1.03 0.28 115.11 119.86 1rbr h GLN 105 Ca 0.14 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1rbr h GLN 105 Cb 0.09 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1rbr h GLN 105 CO -0.02 1.08 0.06 -0.09 -0.67 0.00 0.00 178.83 179.19 1rbr h ARG 106 N 0.54 0.74 -0.43 1.46 2.43 -0.83 -1.40 114.38 116.89 1rbr h ARG 106 Ca 0.01 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1rbr h ARG 106 Cb 1.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1rbr h ARG 106 CO 0.11 0.77 0.13 1.25 -1.51 0.00 0.00 179.97 180.72 1rbr h LEU 107 N 0.59 0.63 -0.07 3.80 5.85 -0.68 -2.33 115.31 123.09 1rbr h LEU 107 Ca 0.13 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rbr h LEU 107 Cb 0.39 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1rbr h LEU 107 CO 0.01 0.67 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.86 1rbr h ASP 108 N 0.55 -0.41 -0.73 1.25 3.58 -0.69 -1.42 116.42 118.55 1rbr h ASP 108 Ca 0.14 0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.73 1rbr h ASP 108 Cb 0.26 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1rbr h ASP 108 CO -0.00 -0.18 0.41 0.00 -2.88 0.00 0.00 179.24 176.58 1rbr h ALA 109 N 0.83 0.99 0.00 -0.78 0.00 -1.17 -2.57 119.26 116.55 1rbr h ALA 109 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1rbr h ALA 109 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rbr h ALA 109 CO -0.19 0.08 -0.20 0.00 0.00 0.00 0.00 179.25 178.94 1rbr h ALA 110 N 1.38 1.24 0.00 0.00 0.00 -1.03 -3.16 119.26 117.70 1rbr h ALA 110 Ca 0.33 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1rbr h ALA 110 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1rbr h ALA 110 CO -0.20 0.25 -1.16 -0.07 0.00 0.00 0.00 179.25 178.07 1rbr h LEU 111 N 0.00 0.00 -0.91 0.00 3.38 -0.86 -3.40 115.31 113.52 1rbr h LEU 111 Ca -0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1rbr h LEU 111 Cb 0.51 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.09 1rbr h LEU 111 CO 0.03 0.85 0.00 1.23 0.09 0.00 0.00 178.44 180.64 1rbr h GLY 112 N 3.33 1.06 2.00 0.83 0.00 -1.49 -0.96 103.07 107.84 1rbr h GLY 112 Ca -0.10 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1rbr h GLY 112 CO 0.09 -0.42 -0.38 1.46 0.00 0.00 0.00 176.54 177.30 1rbr h GLN 113 N 0.05 0.00 -6.21 4.80 1.08 -1.78 -3.47 115.11 109.58 1rbr h GLN 113 Ca 0.52 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 57.21 1rbr h GLN 113 Cb 1.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1rbr h GLN 113 CO -0.84 0.38 -0.37 -1.01 -0.95 0.00 0.00 178.83 176.05 1rbr s HIS 114 N -3.72 3.48 -0.59 2.96 3.76 -0.37 -4.50 115.29 116.32 1rbr s HIS 114 Ca -0.01 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 54.96 1rbr s HIS 114 Cb 0.12 -1.76 0.13 0.00 1.11 0.00 0.00 32.58 32.18 1rbr s HIS 114 CO 0.69 0.39 0.59 -0.65 -0.85 0.00 0.00 174.74 174.92 1rbr s GLN 115 N -3.54 3.07 -0.12 1.40 -0.21 -0.44 -5.00 119.66 114.81 1rbr s GLN 115 Ca 0.37 -1.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.08 1rbr s GLN 115 Cb -0.10 -4.31 -0.03 0.00 1.00 0.00 0.00 33.01 29.57 1rbr s GLN 115 CO 0.30 -1.40 -0.05 0.42 -2.12 0.00 0.00 175.29 172.44 1rbr s ILE 116 N 1.84 3.79 -0.18 1.08 1.01 -1.26 -0.73 121.20 126.75 1rbr s ILE 116 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1rbr s ILE 116 Cb -0.26 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.60 1rbr s ILE 116 CO 0.03 0.54 -0.17 -0.75 0.00 0.00 0.00 174.94 174.58 1rbr s LYS 117 N -0.12 3.08 -0.06 2.79 2.20 -0.22 -4.98 119.74 122.43 1rbr s LYS 117 Ca 0.02 -0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 1rbr s LYS 117 Cb -0.13 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 1rbr s LYS 117 CO 0.03 -0.14 0.42 -1.58 -0.36 0.00 0.00 175.35 173.71 1rbr s TRP 118 N 1.17 3.61 -0.25 4.03 0.52 -1.26 -0.61 118.94 126.15 1rbr s TRP 118 Ca 0.02 0.91 0.01 0.00 0.02 0.00 0.00 56.10 57.05 1rbr s TRP 118 Cb -0.14 -2.40 0.06 0.00 -1.15 0.00 0.00 33.47 29.85 1rbr s TRP 118 CO -0.08 0.41 -0.04 -2.00 0.02 0.00 0.00 176.95 175.26 1rbr s GLU 119 N -0.23 1.61 -0.43 4.98 2.12 0.22 -4.92 118.70 122.05 1rbr s GLU 119 Ca 0.24 -1.07 -0.20 0.00 0.36 0.00 0.00 54.97 54.29 1rbr s GLU 119 Cb -0.16 -2.62 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1rbr s GLU 119 CO 0.11 -0.64 0.62 -1.58 -0.54 0.00 0.00 175.26 173.24 1rbr s TRP 120 N 1.36 3.08 0.18 5.30 0.52 -1.26 -1.99 118.94 126.12 1rbr s TRP 120 Ca -0.04 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.05 1rbr s TRP 120 Cb -0.19 -3.29 -0.04 0.00 -1.15 0.00 0.00 33.47 28.80 1rbr s TRP 120 CO -0.07 -0.84 0.25 0.14 0.02 0.00 0.00 176.95 176.44 1rbr s VAL 121 N 2.75 4.98 0.35 4.03 -7.23 -0.92 -4.99 120.40 119.37 1rbr s VAL 121 Ca 0.22 -0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 1rbr s VAL 121 Cb -0.14 -3.60 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 1rbr s VAL 121 CO 0.18 -0.17 0.77 -0.54 -0.31 0.00 0.00 175.10 175.04 1rbr s LYS 122 N -3.39 3.99 0.20 4.82 -0.14 -1.26 -3.98 119.74 119.98 1rbr s LYS 122 Ca 0.33 0.70 -0.11 0.00 -1.36 0.00 0.00 55.97 55.54 1rbr s LYS 122 Cb -0.10 -2.39 0.19 0.00 -1.68 0.00 0.00 37.83 33.86 1rbr s LYS 122 CO 0.27 0.09 1.81 0.78 -0.76 0.00 0.00 175.35 177.54 1rbr h GLY 123 N 2.02 0.90 0.57 -3.33 0.00 -1.98 -2.02 103.07 99.23 1rbr h GLY 123 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1rbr h GLY 123 CO 0.64 0.17 -0.00 -2.39 0.00 0.00 0.00 176.54 174.97 1rbr n HIS 124 N -4.79 0.00 -2.60 5.60 1.44 -1.26 -4.04 115.22 109.57 1rbr n HIS 124 Ca 0.07 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.71 1rbr n HIS 124 Cb 0.14 -0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.29 1rbr n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rbr n ALA 125 N -0.65 3.28 -1.94 1.59 0.00 -0.77 -5.09 120.51 116.91 1rbr n ALA 125 Ca 0.22 -3.05 -0.25 0.00 0.00 0.00 0.00 53.44 50.37 1rbr n ALA 125 Cb 0.18 -0.72 0.08 0.00 0.00 0.00 0.00 19.45 19.00 1rbr n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rbr s GLY 126 N -3.74 1.72 0.76 0.00 0.00 -1.13 -4.60 107.32 100.34 1rbr s GLY 126 Ca 0.34 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 1rbr s GLY 126 CO -0.02 -0.66 1.11 0.30 0.00 0.00 0.00 173.10 173.83 1rbr s HIS 127 N -3.24 3.05 0.51 1.90 3.76 -1.26 -4.89 115.29 115.13 1rbr s HIS 127 Ca 0.62 1.04 0.26 0.00 -0.15 0.00 0.00 55.06 56.83 1rbr s HIS 127 Cb -0.09 -3.16 1.37 0.00 1.11 0.00 0.00 32.58 31.81 1rbr s HIS 127 CO 0.45 -1.54 1.93 -1.35 -0.85 0.00 0.00 174.74 173.38 1rbr h PRO 128 N -0.91 0.07 -0.20 8.40 0.11 -2.01 -0.22 132.00 137.25 1rbr h PRO 128 Ca -0.46 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1rbr h PRO 128 Cb 1.27 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1rbr h PRO 128 CO 0.62 0.05 -0.42 0.93 -0.21 0.00 0.00 178.00 178.97 1rbr h GLU 129 N 0.08 0.47 -0.46 1.05 3.07 -2.01 -2.92 114.58 113.86 1rbr h GLU 129 Ca 0.36 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.89 1rbr h GLU 129 Cb 1.32 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 1rbr h GLU 129 CO -0.03 0.81 -0.05 -0.91 -1.40 0.00 0.00 179.01 177.43 1rbr h ASN 130 N 0.39 0.84 -0.75 1.42 4.21 -1.38 -2.81 115.58 117.50 1rbr h ASN 130 Ca 0.03 -0.33 0.02 0.00 1.21 0.00 0.00 56.30 57.23 1rbr h ASN 130 Cb 0.90 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.83 1rbr h ASN 130 CO 0.08 0.97 0.50 -0.33 -1.29 0.00 0.00 177.43 177.36 1rbr h GLU 131 N 0.69 0.93 -0.10 0.81 5.08 -1.47 -1.76 114.58 118.76 1rbr h GLU 131 Ca 0.12 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1rbr h GLU 131 Cb 0.58 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1rbr h GLU 131 CO 0.03 0.61 -0.46 -0.09 -1.00 0.00 0.00 179.01 178.11 1rbr h ARG 132 N 0.96 0.24 -0.32 2.33 2.43 -1.39 -1.62 114.38 117.01 1rbr h ARG 132 Ca 0.29 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1rbr h ARG 132 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1rbr h ARG 132 CO -0.08 0.66 0.13 0.00 -1.51 0.00 0.00 179.97 179.18 1rbr h ASP 134 N 0.37 0.09 -0.46 0.00 3.58 -1.24 0.39 116.42 119.14 1rbr h ASP 134 Ca 0.11 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1rbr h ASP 134 Cb 0.17 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1rbr h ASP 134 CO -0.01 0.08 0.19 -0.08 -2.88 0.00 0.00 179.24 176.54 1rbr h GLU 135 N 0.17 0.69 -0.35 0.28 4.81 -1.09 -0.40 114.58 118.69 1rbr h GLU 135 Ca 0.09 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1rbr h GLU 135 Cb 0.05 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1rbr h GLU 135 CO -0.08 0.62 0.15 -0.07 -0.73 0.00 0.00 179.01 178.89 1rbr h LEU 136 N 0.61 0.48 -0.97 1.64 3.38 0.09 -1.99 115.31 118.55 1rbr h LEU 136 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1rbr h LEU 136 Cb 0.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1rbr h LEU 136 CO -0.01 0.50 0.40 0.00 0.09 0.00 0.00 178.44 179.42 1rbr h ALA 137 N 0.99 1.20 -0.38 1.53 0.00 -0.05 -1.09 119.26 121.46 1rbr h ALA 137 Ca 0.12 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1rbr h ALA 137 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rbr h ALA 137 CO -0.01 0.62 -0.38 0.00 0.00 0.00 0.00 179.25 179.48 1rbr h ARG 138 N 1.12 0.91 -0.08 0.00 3.08 -0.95 -2.79 114.38 115.66 1rbr h ARG 138 Ca 0.28 -0.47 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 1rbr h ARG 138 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1rbr h ARG 138 CO -0.04 1.12 -0.52 0.00 -1.07 0.00 0.00 179.97 179.47 1rbr h ALA 139 N 0.82 0.98 -0.35 0.04 0.00 -1.05 -3.17 119.26 116.52 1rbr h ALA 139 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1rbr h ALA 139 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1rbr h ALA 139 CO 0.09 0.67 -0.25 0.00 0.00 0.00 0.00 179.25 179.77 1rbr h ALA 140 N 1.29 0.92 0.00 0.00 0.00 -1.07 -2.66 119.26 117.74 1rbr h ALA 140 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rbr h ALA 140 Cb 0.98 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1rbr h ALA 140 CO 0.08 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 1rbr h ALA 141 N 1.13 1.01 0.00 0.00 0.00 -1.47 -2.47 119.26 117.45 1rbr h ALA 141 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rbr h ALA 141 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rbr h ALA 141 CO 0.06 0.02 -0.35 0.52 0.00 0.00 0.00 179.25 179.50 1rbr h MET 142 N 0.00 0.00 -1.64 0.00 2.86 -1.47 -3.39 114.93 111.29 1rbr h MET 142 Ca -0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 1rbr h MET 142 Cb 0.51 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 31.85 1rbr h MET 142 CO 0.00 0.00 -0.91 -1.71 1.06 0.00 0.00 176.91 175.35 1rbr n ASN 143 N -2.26 -0.88 -4.72 1.22 2.85 -0.94 -5.13 115.26 105.41 1rbr n ASN 143 Ca 0.04 -2.74 -0.42 0.00 -0.11 0.00 0.00 54.58 51.35 1rbr n ASN 143 Cb 0.45 0.04 -0.03 0.00 1.24 0.00 0.00 39.78 41.48 1rbr n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rbr s PRO 144 N -0.35 4.56 0.00 1.20 0.04 -1.16 -4.52 135.00 134.77 1rbr s PRO 144 Ca 0.34 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1rbr s PRO 144 Cb 0.13 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1rbr s PRO 144 CO -0.15 -0.03 0.24 0.25 0.04 0.00 0.00 177.00 177.35 1rbr n THR 145 N 3.38 0.00 -4.37 1.26 -2.24 -0.38 -4.74 114.28 107.19 1rbr n THR 145 Ca 0.05 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 1rbr n THR 145 Cb 0.48 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 1rbr n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rbr s LEU 146 N -0.88 2.96 -0.13 3.22 1.43 -0.40 -4.97 118.68 119.90 1rbr s LEU 146 Ca 0.00 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.02 1rbr s LEU 146 Cb 0.00 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 1rbr s LEU 146 CO 0.00 -0.29 -0.06 -0.70 0.23 0.00 0.00 176.35 175.53 1rbr s GLU 147 N -3.72 3.43 -0.83 1.70 2.12 -1.26 -1.39 118.70 118.74 1rbr s GLU 147 Ca 0.35 -0.55 -0.19 0.00 0.36 0.00 0.00 54.97 54.95 1rbr s GLU 147 Cb 0.02 -2.80 0.13 0.00 0.26 0.00 0.00 34.13 31.73 1rbr s GLU 147 CO 0.19 0.34 1.01 0.34 -0.54 0.00 0.00 175.26 176.60 1rbr s ASP 148 N 0.08 6.51 0.31 -1.70 -1.08 -1.26 -4.90 116.67 114.64 1rbr s ASP 148 Ca -0.01 -1.87 0.01 0.00 -0.52 0.00 0.00 52.55 50.15 1rbr s ASP 148 Cb -0.14 -2.37 0.49 0.00 -1.46 0.00 0.00 42.92 39.44 1rbr s ASP 148 CO 0.03 -1.07 1.87 0.74 0.52 0.00 0.00 175.17 177.26 1rbr h THR 149 N 5.75 1.21 -0.00 1.71 2.02 -1.97 -2.99 112.91 118.63 1rbr h THR 149 Ca 0.02 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1rbr h THR 149 Cb 1.04 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1rbr h THR 149 CO 1.08 0.27 -0.03 0.61 0.37 0.00 0.00 175.52 177.82 1rbr n GLY 150 N -0.97 -0.75 3.78 2.16 0.00 -1.26 -4.91 105.19 103.24 1rbr n GLY 150 Ca 0.04 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1rbr n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rbr s TYR 151 N -2.15 3.40 -0.05 1.61 5.04 -1.13 -4.97 117.35 119.09 1rbr s TYR 151 Ca 0.40 1.68 -0.04 0.00 -2.44 0.00 0.00 57.07 56.66 1rbr s TYR 151 Cb 0.21 -3.14 0.02 0.00 0.35 0.00 0.00 41.96 39.40 1rbr s TYR 151 CO 0.39 -0.50 0.13 -0.65 -1.34 0.00 0.00 175.55 173.58 1rbr s GLN 152 N -2.18 0.14 0.31 4.97 -0.21 -1.26 -5.00 119.66 116.43 1rbr s GLN 152 Ca 0.54 0.22 0.11 0.00 0.02 0.00 0.00 55.36 56.25 1rbr s GLN 152 Cb -0.24 0.01 0.51 0.00 1.00 0.00 0.00 33.01 34.29 1rbr s GLN 152 CO 0.30 -0.05 1.70 0.28 -2.12 0.00 0.00 175.29 175.40 1rbr h VAL 153 N 5.21 1.36 0.00 1.09 2.07 -2.04 -3.41 116.25 120.54 1rbr h VAL 153 Ca -0.29 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1rbr h VAL 153 Cb 1.19 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1rbr h VAL 153 CO 0.43 0.50 0.00 -0.62 0.02 0.00 0.00 177.57 177.90 1rbr n GLU 154 N -3.94 0.00 0.00 1.57 4.71 -1.26 -5.19 120.64 116.53 1rbr n GLU 154 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1rbr n GLU 154 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1rbr n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50