#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.00 -0.05 1.12 -1.04 -1.26 -4.07 114.28 108.98 1b4m n THR 2 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1b4m n THR 2 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1b4m n THR 2 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1b4m h LYS 3 N 0.00 -0.02 -6.02 -2.82 1.57 -1.98 -3.44 116.57 103.86 1b4m h LYS 3 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1b4m h LYS 3 Cb 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1b4m h LYS 3 CO 0.00 0.69 0.56 -0.51 -0.57 0.00 0.00 179.45 179.62 1b4m s ASP 4 N -5.98 7.03 -0.09 0.86 1.11 -1.26 -4.88 116.67 113.47 1b4m s ASP 4 Ca -0.14 1.28 0.21 0.00 0.18 0.00 0.00 52.55 54.08 1b4m s ASP 4 Cb -0.02 -2.50 0.44 0.00 1.07 0.00 0.00 42.92 41.91 1b4m s ASP 4 CO 0.53 -0.51 1.18 1.67 1.18 0.00 0.00 175.17 179.22 1b4m n GLN 5 N 5.66 0.72 -0.34 8.23 -0.06 -1.26 -4.12 117.38 126.22 1b4m n GLN 5 Ca 0.08 -2.57 -0.13 0.00 -2.00 0.00 0.00 57.00 52.37 1b4m n GLN 5 Cb 0.48 -0.67 -0.02 0.00 -4.06 0.00 0.00 30.24 25.97 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1b4m n ASN 6 N -0.07 0.05 0.00 1.69 4.13 -1.26 -4.79 115.26 115.00 1b4m n ASN 6 Ca 0.11 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1b4m n ASN 6 Cb 0.99 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N 0.43 0.10 0.00 7.41 0.00 -1.04 -5.02 105.19 107.07 1b4m n GLY 7 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1b4m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b4m n THR 8 N 0.00 0.00 -3.40 2.61 -1.04 -1.26 -4.43 114.28 106.75 1b4m n THR 8 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1b4m n THR 8 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1b4m n THR 8 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1b4m s TRP 9 N -1.45 0.15 -0.53 -1.42 0.52 0.25 -1.92 118.94 114.54 1b4m s TRP 9 Ca 0.00 -1.18 -0.27 0.00 0.02 0.00 0.00 56.10 54.67 1b4m s TRP 9 Cb 0.00 -0.63 -0.09 0.00 -1.15 0.00 0.00 33.47 31.61 1b4m s TRP 9 CO 0.00 -0.91 2.43 0.39 0.02 0.00 0.00 176.95 178.89 1b4m n GLU 10 N 4.14 0.98 -0.26 4.98 1.02 -1.20 -2.30 120.64 128.00 1b4m n GLU 10 Ca 0.12 0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1b4m n GLU 10 Cb 0.42 -3.22 -0.06 0.00 -0.02 0.00 0.00 31.44 28.55 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1b4m n MET 11 N 8.93 -0.27 0.00 3.49 1.56 -1.26 -3.87 117.12 125.69 1b4m n MET 11 Ca 0.40 0.95 0.00 0.00 -0.27 0.00 0.00 57.70 58.78 1b4m n MET 11 Cb 0.48 -1.40 0.00 0.00 2.15 0.00 0.00 33.22 34.45 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1b4m n GLU 12 N -4.79 0.00 -3.62 2.12 2.13 -1.26 -3.35 120.64 111.87 1b4m n GLU 12 Ca 0.01 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.78 1b4m n GLU 12 Cb 0.17 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.83 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b4m s SER 13 N 0.00 -0.18 -0.02 4.31 0.01 -1.25 -5.11 113.70 111.46 1b4m s SER 13 Ca 0.00 0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.52 1b4m s SER 13 Cb 0.00 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1b4m s SER 13 CO 0.00 -0.16 -0.19 0.21 0.41 0.00 0.00 173.24 173.51 1b4m s ASN 14 N -0.98 2.23 0.00 2.44 2.47 -1.26 -2.54 114.94 117.30 1b4m s ASN 14 Ca 0.04 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1b4m s ASN 14 Cb -0.01 -0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.51 1b4m s ASN 14 CO -0.04 0.23 0.00 -0.62 -3.72 0.00 0.00 177.10 172.94 1b4m n GLU 15 N 2.65 0.00 -3.02 0.43 1.02 -1.26 -4.87 120.64 115.60 1b4m n GLU 15 Ca -0.15 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.64 1b4m n GLU 15 Cb 0.53 -0.10 -0.06 0.00 -0.02 0.00 0.00 31.44 31.79 1b4m n GLU 15 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b4m s ASN 16 N -1.45 6.99 0.01 1.62 2.20 -1.26 -4.99 114.94 118.06 1b4m s ASN 16 Ca 0.00 1.48 -0.00 0.00 -0.94 0.00 0.00 52.86 53.40 1b4m s ASN 16 Cb 0.00 -2.45 -0.00 0.00 -2.00 0.00 0.00 41.25 36.80 1b4m s ASN 16 CO 0.00 -0.12 -0.01 0.49 -2.94 0.00 0.00 177.10 174.52 1b4m n PHE 17 N 0.12 0.00 -0.11 1.54 3.72 -1.26 -4.79 117.46 116.68 1b4m n PHE 17 Ca 0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.34 1b4m n PHE 17 Cb 0.52 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1b4m h GLU 18 N -0.03 0.41 -0.37 -1.08 4.81 -1.98 -2.67 114.58 113.68 1b4m h GLU 18 Ca 0.00 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1b4m h GLU 18 Cb 0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1b4m h GLU 18 CO 0.00 0.27 0.42 0.78 -0.73 0.00 0.00 179.01 179.75 1b4m h GLY 19 N 0.42 0.00 0.90 1.92 0.00 -1.95 1.28 103.07 105.63 1b4m h GLY 19 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.31 1b4m h GLY 19 CO -0.08 0.00 -0.66 -1.82 0.00 0.00 0.00 176.54 173.98 1b4m h TYR 20 N 0.00 0.73 0.00 5.60 3.20 -1.78 0.95 116.97 125.66 1b4m h TYR 20 Ca 0.17 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1b4m h TYR 20 Cb 1.01 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1b4m h TYR 20 CO 0.00 1.18 -0.09 0.52 -1.64 0.00 0.00 178.16 178.13 1b4m h MET 21 N 0.06 0.00 0.06 1.82 2.86 0.80 -2.81 114.93 117.72 1b4m h MET 21 Ca -0.07 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 1b4m h MET 21 Cb 1.34 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.02 1b4m h MET 21 CO 0.13 0.09 -1.05 -0.22 1.06 0.00 0.00 176.91 176.93 1b4m h LYS 22 N 0.00 0.61 -0.65 1.72 3.64 0.13 -1.12 116.57 120.91 1b4m h LYS 22 Ca -0.00 -0.73 0.06 0.00 -1.27 0.00 0.00 60.65 58.71 1b4m h LYS 22 Cb 0.68 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 1b4m h LYS 22 CO 0.01 1.31 0.34 0.00 -2.27 0.00 0.00 179.45 178.85 1b4m h ALA 23 N 0.32 0.87 -0.07 5.00 0.00 0.12 -0.56 119.26 124.94 1b4m h ALA 23 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b4m h ALA 23 Cb 1.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1b4m h ALA 23 CO 0.20 -0.00 0.00 1.47 0.00 0.00 0.00 179.25 180.92 1b4m n LEU 24 N -4.83 1.42 -3.11 0.00 -0.00 -1.17 -4.88 117.00 104.43 1b4m n LEU 24 Ca 0.08 -0.52 -0.17 0.00 -0.00 0.00 0.00 56.01 55.41 1b4m n LEU 24 Cb 0.19 -0.04 0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1b4m n LEU 24 CO 0.28 0.26 -0.23 0.47 -0.00 0.00 0.00 177.39 178.17 1b4m n ASP 25 N 0.12 -6.91 -0.05 1.45 9.92 -0.22 -4.98 116.55 115.87 1b4m n ASP 25 Ca 0.18 0.41 -0.06 0.00 -0.53 0.00 0.00 54.79 54.79 1b4m n ASP 25 Cb 0.32 -3.53 -0.07 0.00 -0.64 0.00 0.00 41.12 37.20 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b4m n ILE 26 N 0.12 0.66 0.00 0.53 3.06 -0.43 -4.92 119.36 118.38 1b4m n ILE 26 Ca 0.01 -0.35 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 1b4m n ILE 26 Cb 0.48 -0.81 0.00 0.00 0.54 0.00 0.00 39.64 39.84 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -2.52 0.00 -0.14 9.51 2.03 -1.26 -4.94 116.55 119.23 1b4m n ASP 27 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1b4m n ASP 27 Cb 0.78 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1b4m n PHE 28 N 0.00 0.00 -2.69 -0.67 3.01 -1.26 -4.22 117.46 111.63 1b4m n PHE 28 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1b4m n PHE 28 Cb 0.00 -0.03 0.05 0.00 -0.01 0.00 0.00 39.48 39.49 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b4m n ALA 29 N -0.35 -3.20 -0.03 4.37 0.00 -1.26 -5.00 120.51 115.04 1b4m n ALA 29 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 1b4m n ALA 29 Cb 0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 19.45 16.65 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N 2.11 0.38 0.00 0.00 -1.04 -1.26 -5.07 114.28 109.40 1b4m n THR 30 Ca 0.08 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1b4m n THR 30 Cb 0.66 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N -2.28 0.06 -3.14 -2.82 1.85 -1.26 -4.65 116.66 104.42 1b4m n ARG 31 Ca -0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.61 1b4m n ARG 31 Cb 0.67 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.13 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1b4m n LYS 32 N -0.78 -4.75 0.00 2.89 4.81 -1.26 -4.74 118.16 114.33 1b4m n LYS 32 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1b4m n LYS 32 Cb 0.00 -4.58 0.00 0.00 0.02 0.00 0.00 35.03 30.47 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1b4m n ILE 33 N -4.04 0.00 -0.15 3.15 -0.00 -1.26 -4.95 119.36 112.10 1b4m n ILE 33 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 62.80 1b4m n ILE 33 Cb 0.54 0.00 0.26 0.00 -0.00 0.00 0.00 39.64 40.44 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -2.32 3.28 -0.46 -1.39 0.00 -1.26 -4.45 120.51 113.91 1b4m n ALA 34 Ca 0.00 -1.21 0.39 0.00 0.00 0.00 0.00 53.44 52.63 1b4m n ALA 34 Cb 0.00 -1.07 0.67 0.00 0.00 0.00 0.00 19.45 19.05 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m h VAL 35 N 2.68 0.02 -2.84 0.00 2.07 -1.95 -3.39 116.25 112.84 1b4m h VAL 35 Ca 0.00 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1b4m h VAL 35 Cb 1.37 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.97 1b4m h VAL 35 CO 0.28 0.00 -0.04 -0.60 0.02 0.00 0.00 177.57 177.23 1b4m s ARG 36 N -5.29 0.95 0.00 1.57 6.06 -1.26 -4.95 118.95 116.04 1b4m s ARG 36 Ca -0.08 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 1b4m s ARG 36 Cb 0.31 0.43 0.00 0.00 0.06 0.00 0.00 34.95 35.75 1b4m s ARG 36 CO 0.82 -0.33 0.00 1.47 -2.50 0.00 0.00 175.30 174.77 1b4m n LEU 37 N 0.57 0.00 -2.23 -0.88 -0.00 -1.26 -5.02 117.00 108.18 1b4m n LEU 37 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.69 1b4m n LEU 37 Cb 0.59 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.88 1b4m n LEU 37 CO 0.20 0.00 1.67 1.07 -0.00 0.00 0.00 177.39 180.34 1b4m n THR 38 N 0.00 2.72 -4.80 1.47 5.66 -1.26 0.15 114.28 118.23 1b4m n THR 38 Ca 0.00 -1.41 -0.28 0.00 -3.05 0.00 0.00 64.05 59.31 1b4m n THR 38 Cb 0.00 -2.00 -0.14 0.00 -1.55 0.00 0.00 70.33 66.64 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1b4m s GLN 39 N 1.46 1.60 0.00 1.09 0.74 -1.26 -4.69 119.66 118.60 1b4m s GLN 39 Ca 0.58 -1.01 0.00 0.00 0.05 0.00 0.00 55.36 54.98 1b4m s GLN 39 Cb 0.26 -1.73 0.00 0.00 1.10 0.00 0.00 33.01 32.63 1b4m s GLN 39 CO -0.01 0.45 0.00 2.41 -0.55 0.00 0.00 175.29 177.59 1b4m n THR 40 N 1.87 -0.11 -2.62 -0.34 -1.04 -1.26 -1.10 114.28 109.68 1b4m n THR 40 Ca -0.17 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.50 1b4m n THR 40 Cb 0.53 -0.35 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1b4m n THR 40 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 41 N -2.11 3.92 0.06 -2.82 2.36 -0.97 0.68 119.74 120.86 1b4m s LYS 41 Ca 0.00 1.29 -0.04 0.00 -2.55 0.00 0.00 55.97 54.66 1b4m s LYS 41 Cb 0.00 -2.12 -0.02 0.00 -1.05 0.00 0.00 37.83 34.64 1b4m s LYS 41 CO 0.00 -0.32 0.07 0.42 1.55 0.00 0.00 175.35 177.07 1b4m s ILE 42 N -2.05 0.17 0.05 5.43 1.01 0.49 0.86 121.20 127.16 1b4m s ILE 42 Ca 0.66 -1.42 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1b4m s ILE 42 Cb -0.14 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1b4m s ILE 42 CO 0.18 -0.79 -0.11 -0.51 0.00 0.00 0.00 174.94 173.71 1b4m s ILE 43 N -3.52 0.84 -0.44 2.92 2.07 -1.26 0.96 121.20 122.76 1b4m s ILE 43 Ca 0.03 -1.06 0.06 0.00 -1.41 0.00 0.00 60.65 58.27 1b4m s ILE 43 Cb 0.04 -0.82 0.18 0.00 0.13 0.00 0.00 42.46 41.99 1b4m s ILE 43 CO -0.09 -0.20 0.57 -0.69 -1.91 0.00 0.00 174.94 172.62 1b4m s VAL 44 N -1.12 -0.69 -1.08 4.00 1.01 -1.24 -2.49 120.40 118.79 1b4m s VAL 44 Ca -0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1b4m s VAL 44 Cb -0.09 -0.30 0.15 0.00 0.00 0.00 0.00 36.38 36.15 1b4m s VAL 44 CO 0.01 -0.28 1.29 -1.58 0.00 0.00 0.00 175.10 174.54 1b4m s GLN 45 N 1.21 3.87 0.18 2.72 -0.44 -1.26 -1.83 119.66 124.10 1b4m s GLN 45 Ca 0.23 -2.21 0.25 0.00 -2.50 0.00 0.00 55.36 51.13 1b4m s GLN 45 Cb -0.04 -4.99 0.91 0.00 -1.64 0.00 0.00 33.01 27.24 1b4m s GLN 45 CO -0.07 -1.76 1.77 -3.47 0.50 0.00 0.00 175.29 172.26 1b4m n ASP 46 N 6.02 0.60 0.00 6.67 2.03 -1.23 -4.86 116.55 125.78 1b4m n ASP 46 Ca 0.31 0.58 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1b4m n ASP 46 Cb 0.46 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N 0.96 0.21 2.31 0.27 0.00 -1.26 -4.87 105.19 102.82 1b4m n GLY 47 Ca 0.05 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1b4m n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 48 N 0.00 7.43 -2.72 1.61 2.03 -1.26 -4.54 116.55 119.10 1b4m n ASP 48 Ca 0.00 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.52 1b4m n ASP 48 Cb 0.00 -0.92 0.02 0.00 -0.72 0.00 0.00 41.12 39.50 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1b4m s ASN 49 N -2.00 -0.28 -0.15 1.67 0.01 -1.26 -4.44 114.94 108.49 1b4m s ASN 49 Ca 0.63 -0.21 -0.09 0.00 -0.71 0.00 0.00 52.86 52.48 1b4m s ASN 49 Cb 0.50 0.36 -0.05 0.00 0.41 0.00 0.00 41.25 42.47 1b4m s ASN 49 CO -0.01 -0.02 0.17 0.12 -1.51 0.00 0.00 177.10 175.84 1b4m s PHE 50 N 1.61 3.52 -0.36 2.20 2.19 -1.07 -3.55 117.98 122.53 1b4m s PHE 50 Ca 0.18 0.49 0.02 0.00 0.33 0.00 0.00 56.93 57.94 1b4m s PHE 50 Cb 0.07 -2.09 0.15 0.00 -1.31 0.00 0.00 43.02 39.84 1b4m s PHE 50 CO -0.14 0.51 0.30 0.15 1.83 0.00 0.00 175.22 177.87 1b4m s LYS 51 N -0.34 0.59 -0.10 10.12 1.02 -0.76 -2.35 119.74 127.91 1b4m s LYS 51 Ca 0.13 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 1b4m s LYS 51 Cb -0.12 -0.97 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 1b4m s LYS 51 CO 0.02 -1.20 1.47 0.99 -0.92 0.00 0.00 175.35 175.72 1b4m s THR 52 N 1.31 3.90 0.06 2.17 2.01 -0.89 -3.64 115.64 120.56 1b4m s THR 52 Ca 0.17 1.09 0.07 0.00 0.31 0.00 0.00 61.69 63.34 1b4m s THR 52 Cb -0.19 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1b4m s THR 52 CO -0.03 -0.10 -0.21 -1.59 -0.69 0.00 0.00 174.62 172.01 1b4m s LYS 53 N 3.78 1.31 0.50 4.92 0.00 0.27 0.14 119.74 130.66 1b4m s LYS 53 Ca 0.65 -0.99 0.07 0.00 0.00 0.00 0.00 55.97 55.70 1b4m s LYS 53 Cb -0.28 -1.47 0.03 0.00 0.00 0.00 0.00 37.83 36.11 1b4m s LYS 53 CO 0.23 0.37 0.50 -0.08 0.00 0.00 0.00 175.35 176.36 1b4m s THR 54 N -0.89 2.18 -0.22 3.79 -1.32 -1.26 0.18 115.64 118.11 1b4m s THR 54 Ca 0.07 -1.30 0.17 0.00 -1.21 0.00 0.00 61.69 59.43 1b4m s THR 54 Cb -0.09 -2.48 0.41 0.00 -1.51 0.00 0.00 72.50 68.83 1b4m s THR 54 CO 0.02 0.00 1.25 -3.20 -2.21 0.00 0.00 174.62 170.49 1b4m n ASN 55 N -1.81 0.18 -4.77 8.08 2.85 0.21 -4.87 115.26 115.14 1b4m n ASN 55 Ca 0.05 -2.08 -0.40 0.00 -0.11 0.00 0.00 54.58 52.04 1b4m n ASN 55 Cb 0.62 0.03 0.01 0.00 1.24 0.00 0.00 39.78 41.68 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1b4m s SER 56 N -2.35 6.13 0.27 1.20 1.04 -0.26 -4.58 113.70 115.15 1b4m s SER 56 Ca 0.19 2.85 -0.09 0.00 0.48 0.00 0.00 55.95 59.38 1b4m s SER 56 Cb 0.34 -2.65 0.42 0.00 0.10 0.00 0.00 66.02 64.23 1b4m s SER 56 CO -0.08 -0.99 1.52 0.35 0.98 0.00 0.00 173.24 175.01 1b4m n THR 57 N 0.07 -0.42 -2.72 2.02 -2.24 0.41 -3.86 114.28 107.53 1b4m n THR 57 Ca 0.04 2.23 -0.05 0.00 -2.27 0.00 0.00 64.05 64.00 1b4m n THR 57 Cb 0.42 -3.07 0.03 0.00 -2.10 0.00 0.00 70.33 65.61 1b4m n THR 57 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1b4m n PHE 58 N -5.56 -2.47 0.00 4.78 -1.74 -1.23 -4.97 117.46 106.27 1b4m n PHE 58 Ca 0.15 -1.17 0.00 0.00 -0.56 0.00 0.00 57.45 55.87 1b4m n PHE 58 Cb 0.47 1.35 0.00 0.00 1.52 0.00 0.00 39.48 42.82 1b4m n PHE 58 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1b4m n ARG 59 N 2.36 0.00 -2.86 3.97 3.00 -1.25 -4.94 116.66 116.94 1b4m n ARG 59 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.54 1b4m n ARG 59 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.04 1b4m n ARG 59 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1b4m s ASN 60 N 0.00 6.38 -0.35 6.15 0.01 -1.26 -4.78 114.94 121.08 1b4m s ASN 60 Ca 0.00 -0.24 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1b4m s ASN 60 Cb 0.00 -2.43 0.11 0.00 0.41 0.00 0.00 41.25 39.34 1b4m s ASN 60 CO 0.00 -1.14 0.10 -0.47 -1.51 0.00 0.00 177.10 174.08 1b4m s TYR 61 N 3.78 2.86 0.67 2.20 5.04 -1.26 -5.02 117.35 125.62 1b4m s TYR 61 Ca 0.31 -2.54 -0.16 0.00 -2.44 0.00 0.00 57.07 52.24 1b4m s TYR 61 Cb -0.12 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.78 1b4m s TYR 61 CO 0.21 -0.89 1.19 0.16 -1.34 0.00 0.00 175.55 174.88 1b4m s ASP 62 N 1.00 4.72 -0.44 4.32 -4.77 -1.26 -4.65 116.67 115.58 1b4m s ASP 62 Ca 0.12 2.31 0.05 0.00 -3.30 0.00 0.00 52.55 51.73 1b4m s ASP 62 Cb -0.19 -2.59 0.43 0.00 -1.09 0.00 0.00 42.92 39.47 1b4m s ASP 62 CO -0.13 -1.91 1.23 -0.11 0.70 0.00 0.00 175.17 174.96 1b4m n LEU 63 N -2.24 5.08 -4.47 2.11 7.94 0.38 -5.00 117.00 120.80 1b4m n LEU 63 Ca 0.13 -5.04 -0.43 0.00 -1.11 0.00 0.00 56.01 49.56 1b4m n LEU 63 Cb 0.50 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 1b4m n LEU 63 CO 0.46 2.15 0.97 1.51 -1.11 0.00 0.00 177.39 181.37 1b4m s ASP 64 N -3.31 6.41 0.00 1.96 -4.77 -1.26 -2.08 116.67 113.62 1b4m s ASP 64 Ca 0.50 -1.47 0.00 0.00 -3.30 0.00 0.00 52.55 48.27 1b4m s ASP 64 Cb 0.41 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.80 1b4m s ASP 64 CO -0.14 -1.31 0.00 2.22 0.70 0.00 0.00 175.17 176.63 1b4m n PHE 65 N 7.48 0.00 -3.94 2.11 1.16 -0.99 -5.01 117.46 118.27 1b4m n PHE 65 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.59 1b4m n PHE 65 Cb 0.48 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.33 1b4m n PHE 65 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1b4m n THR 66 N 0.00 0.00 -2.68 1.97 -2.24 -1.26 -2.58 114.28 107.48 1b4m n THR 66 Ca 0.00 -1.44 -0.43 0.00 -2.27 0.00 0.00 64.05 59.91 1b4m n THR 66 Cb 0.00 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 1b4m n THR 66 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1b4m s VAL 67 N -2.66 4.66 0.00 2.28 1.01 -1.26 -3.59 120.40 120.85 1b4m s VAL 67 Ca 0.23 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1b4m s VAL 67 Cb -0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1b4m s VAL 67 CO 0.17 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1b4m n GLY 68 N 3.49 0.20 0.26 4.51 0.00 0.27 -4.83 105.19 109.10 1b4m n GLY 68 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4m h VAL 69 N 0.00 0.00 -5.23 1.61 3.04 -1.80 -3.46 116.25 110.41 1b4m h VAL 69 Ca 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.53 1b4m h VAL 69 Cb 0.59 0.77 0.13 0.00 -2.01 0.00 0.00 31.29 30.77 1b4m h VAL 69 CO 0.00 0.00 -0.54 -0.62 -1.01 0.00 0.00 177.57 175.40 1b4m n GLU 70 N -2.72 -1.80 -2.01 4.17 -0.58 -1.26 -4.90 120.64 111.53 1b4m n GLU 70 Ca -0.02 1.00 -0.40 0.00 -0.42 0.00 0.00 57.16 57.31 1b4m n GLU 70 Cb 0.06 -5.47 -0.01 0.00 -0.57 0.00 0.00 31.44 25.46 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1b4m s PHE 71 N -3.24 2.82 -0.48 -0.32 5.36 -0.64 -4.67 117.98 116.81 1b4m s PHE 71 Ca 0.29 1.36 -0.15 0.00 -0.96 0.00 0.00 56.93 57.47 1b4m s PHE 71 Cb -0.04 -3.75 0.08 0.00 -0.34 0.00 0.00 43.02 38.98 1b4m s PHE 71 CO 0.68 -2.23 0.41 0.34 -1.46 0.00 0.00 175.22 172.96 1b4m s ASP 72 N -0.55 6.13 -1.03 6.13 2.15 -1.26 0.16 116.67 128.40 1b4m s ASP 72 Ca 0.54 -1.43 -0.21 0.00 0.43 0.00 0.00 52.55 51.88 1b4m s ASP 72 Cb -0.40 -2.18 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1b4m s ASP 72 CO 0.53 -0.68 1.94 1.21 -0.17 0.00 0.00 175.17 178.00 1b4m n GLU 73 N 5.20 1.83 -2.65 4.34 0.00 0.15 -4.88 120.64 124.64 1b4m n GLU 73 Ca -0.13 -2.27 -0.43 0.00 0.00 0.00 0.00 57.16 54.34 1b4m n GLU 73 Cb 0.43 -3.28 -0.02 0.00 0.00 0.00 0.00 31.44 28.57 1b4m n GLU 73 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1b4m s HIS 74 N 6.77 3.16 0.37 4.31 5.65 -1.26 -3.82 115.29 130.48 1b4m s HIS 74 Ca 0.60 1.20 -0.12 0.00 0.25 0.00 0.00 55.06 56.99 1b4m s HIS 74 Cb 0.08 -3.66 0.05 0.00 -1.18 0.00 0.00 32.58 27.87 1b4m s HIS 74 CO 0.10 -0.75 0.70 -2.37 -0.65 0.00 0.00 174.74 171.77 1b4m n THR 75 N 5.84 0.00 0.04 0.89 5.66 -1.26 -5.01 114.28 120.44 1b4m n THR 75 Ca 0.12 -1.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.00 1b4m n THR 75 Cb 0.47 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 1b4m n THR 75 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1b4m n LYS 76 N -0.52 0.00 -0.45 1.09 0.00 -1.26 -2.42 118.16 114.59 1b4m n LYS 76 Ca -0.07 0.00 0.38 0.00 -0.00 0.00 0.00 58.31 58.62 1b4m n LYS 76 Cb 0.57 0.00 0.70 0.00 -0.00 0.00 0.00 35.03 36.30 1b4m n LYS 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1b4m h GLY 77 N 0.00 0.60 -6.93 2.58 0.00 -1.99 -2.69 103.07 94.65 1b4m h GLY 77 Ca 0.00 -0.07 -0.61 0.00 0.00 0.00 0.00 47.33 46.65 1b4m h GLY 77 CO 0.00 -0.14 -0.65 -0.10 0.00 0.00 0.00 176.54 175.64 1b4m n LEU 78 N -4.35 2.34 0.00 3.11 7.94 -1.26 -4.92 117.00 119.85 1b4m n LEU 78 Ca 0.33 -5.05 0.00 0.00 -1.11 0.00 0.00 56.01 50.18 1b4m n LEU 78 Cb 1.42 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.87 1b4m n LEU 78 CO 0.33 1.78 0.00 -0.67 -1.11 0.00 0.00 177.39 177.72 1b4m n ASP 79 N 2.11 0.00 -0.21 1.96 2.03 -1.02 -4.76 116.55 116.66 1b4m n ASP 79 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1b4m n ASP 79 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 0.00 -0.71 0.00 0.27 0.00 -1.21 -4.83 105.19 98.71 1b4m n GLY 80 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1b4m n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b4m n ARG 81 N 1.77 0.00 0.00 1.61 1.85 -1.02 -4.90 116.66 115.98 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1b4m n ARG 81 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1b4m n ARG 81 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1b4m n ASN 82 N 0.00 0.00 -4.92 2.89 0.23 -1.25 -4.32 115.26 107.89 1b4m n ASN 82 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1b4m n ASN 82 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1b4m s VAL 83 N 0.00 5.00 1.02 3.53 1.01 -1.25 -4.76 120.40 124.95 1b4m s VAL 83 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1b4m s VAL 83 Cb 0.00 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.74 1b4m s VAL 83 CO 0.00 -0.64 1.08 -0.54 0.00 0.00 0.00 175.10 175.00 1b4m s LYS 84 N -4.35 0.26 -0.39 2.72 -0.14 -0.01 0.34 119.74 118.16 1b4m s LYS 84 Ca 0.44 0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 55.63 1b4m s LYS 84 Cb -0.10 -1.71 0.22 0.00 -1.68 0.00 0.00 37.83 34.56 1b4m s LYS 84 CO 0.38 -2.87 1.03 2.41 -0.76 0.00 0.00 175.35 175.54 1b4m n THR 85 N -4.29 0.00 -2.19 2.17 -1.04 0.41 -2.74 114.28 106.61 1b4m n THR 85 Ca 0.05 -0.57 -0.40 0.00 -2.04 0.00 0.00 64.05 61.09 1b4m n THR 85 Cb 0.56 0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 69.91 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N 0.61 4.34 0.03 -4.42 0.20 0.74 -1.62 118.68 118.56 1b4m s LEU 86 Ca 0.26 2.55 0.05 0.00 0.69 0.00 0.00 54.13 57.68 1b4m s LEU 86 Cb 0.12 -3.79 -0.02 0.00 -0.43 0.00 0.00 46.19 42.08 1b4m s LEU 86 CO -0.10 -0.59 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.54 1b4m s VAL 87 N -1.23 1.11 0.29 1.68 1.01 -1.26 -0.17 120.40 121.81 1b4m s VAL 87 Ca 0.52 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1b4m s VAL 87 Cb -0.36 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.09 1b4m s VAL 87 CO 0.47 0.07 0.89 0.28 0.00 0.00 0.00 175.10 176.81 1b4m s THR 88 N -0.73 0.00 -0.16 3.92 -1.32 0.48 0.96 115.64 118.79 1b4m s THR 88 Ca 0.02 -0.83 -0.07 0.00 -1.21 0.00 0.00 61.69 59.61 1b4m s THR 88 Cb -0.07 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1b4m s THR 88 CO 0.01 0.00 0.09 0.26 -2.21 0.00 0.00 174.62 172.77 1b4m s TRP 89 N -2.49 3.38 -0.07 9.09 0.52 -1.26 -0.58 118.94 127.53 1b4m s TRP 89 Ca 0.17 0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.53 1b4m s TRP 89 Cb -0.04 -2.02 -0.27 0.00 -1.15 0.00 0.00 33.47 29.98 1b4m s TRP 89 CO 0.08 0.39 0.56 1.49 0.02 0.00 0.00 176.95 179.50 1b4m h GLU 90 N 6.02 0.26 0.00 4.98 4.22 0.23 -3.46 114.58 126.83 1b4m h GLU 90 Ca -0.45 -0.44 0.00 0.00 0.08 0.00 0.00 59.36 58.56 1b4m h GLU 90 Cb 1.18 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1b4m h GLU 90 CO 0.67 1.12 0.00 0.41 -2.18 0.00 0.00 179.01 179.03 1b4m n GLY 91 N 1.85 0.53 0.00 1.92 0.00 -1.26 -4.88 105.19 103.34 1b4m n GLY 91 Ca -0.25 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1b4m n GLY 91 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b4m n ASN 92 N 0.00 0.00 -3.95 1.61 5.15 -1.26 -5.11 115.26 111.71 1b4m n ASN 92 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1b4m n ASN 92 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1b4m s THR 93 N 0.00 0.27 -1.01 -0.44 -1.32 -1.26 -4.07 115.64 107.82 1b4m s THR 93 Ca 0.00 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.39 1b4m s THR 93 Cb 0.00 -2.51 0.25 0.00 -1.51 0.00 0.00 72.50 68.74 1b4m s THR 93 CO 0.00 0.00 0.97 -0.22 -2.21 0.00 0.00 174.62 173.16 1b4m s LEU 94 N -3.36 6.29 0.06 9.08 2.96 -1.25 0.97 118.68 133.43 1b4m s LEU 94 Ca 0.36 -3.41 -0.30 0.00 -0.22 0.00 0.00 54.13 50.56 1b4m s LEU 94 Cb 0.05 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1b4m s LEU 94 CO 0.18 -0.33 1.08 -0.69 -1.32 0.00 0.00 176.35 175.26 1b4m s VAL 95 N -0.95 4.36 -0.03 1.68 1.01 0.25 -1.93 120.40 124.80 1b4m s VAL 95 Ca 0.27 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 1b4m s VAL 95 Cb -0.10 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1b4m s VAL 95 CO -0.09 0.18 0.07 0.00 0.00 0.00 0.00 175.10 175.26 1b4m s VAL 97 N 0.66 0.81 -0.72 0.00 1.01 0.75 -4.00 120.40 118.91 1b4m s VAL 97 Ca -0.05 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1b4m s VAL 97 Cb -0.07 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.53 1b4m s VAL 97 CO -0.02 0.32 1.10 -1.58 0.00 0.00 0.00 175.10 174.91 1b4m s GLN 98 N 1.47 3.20 0.57 2.72 0.74 -1.16 -0.19 119.66 127.01 1b4m s GLN 98 Ca -0.01 -0.75 -0.11 0.00 0.05 0.00 0.00 55.36 54.55 1b4m s GLN 98 Cb -0.13 -4.33 -0.05 0.00 1.10 0.00 0.00 33.01 29.60 1b4m s GLN 98 CO -0.04 -1.93 0.96 0.15 -0.55 0.00 0.00 175.29 173.88 1b4m s LYS 99 N 4.50 3.66 0.00 1.67 1.02 -1.11 -4.15 119.74 125.33 1b4m s LYS 99 Ca 0.28 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1b4m s LYS 99 Cb -0.12 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1b4m s LYS 99 CO 0.09 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1b4m n GLY 100 N -2.39 -1.13 1.25 -3.33 0.00 -1.26 -0.83 105.19 97.49 1b4m n GLY 100 Ca 0.05 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N 0.18 -2.83 -0.41 1.61 2.13 -1.26 -4.51 120.64 115.55 1b4m n GLU 101 Ca 0.00 2.26 -0.08 0.00 0.66 0.00 0.00 57.16 59.99 1b4m n GLU 101 Cb 0.00 -3.33 -0.06 0.00 0.27 0.00 0.00 31.44 28.32 1b4m n GLU 101 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1b4m n LYS 102 N -4.04 -0.39 -1.42 5.31 0.00 -1.26 -4.64 118.16 111.73 1b4m n LYS 102 Ca -0.07 1.51 -0.41 0.00 0.00 0.00 0.00 58.31 59.34 1b4m n LYS 102 Cb 0.59 -2.23 0.01 0.00 0.00 0.00 0.00 35.03 33.39 1b4m n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b4m n GLU 103 N -5.31 0.44 -3.17 1.64 0.28 -1.26 -4.75 120.64 108.52 1b4m n GLU 103 Ca 0.04 0.16 -0.25 0.00 -0.16 0.00 0.00 57.16 56.96 1b4m n GLU 103 Cb 0.30 -1.41 -0.05 0.00 1.43 0.00 0.00 31.44 31.70 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1b4m n ASN 104 N 1.45 2.87 -3.57 -1.84 3.02 -1.26 -4.69 115.26 111.23 1b4m n ASN 104 Ca 0.11 -3.32 -0.43 0.00 -0.03 0.00 0.00 54.58 50.91 1b4m n ASN 104 Cb 0.40 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 1b4m n ASN 104 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b4m n ARG 105 N 0.44 1.05 -3.79 3.52 5.12 -1.22 -3.91 116.66 117.87 1b4m n ARG 105 Ca 0.28 -1.57 -0.35 0.00 -1.93 0.00 0.00 57.85 54.27 1b4m n ARG 105 Cb 0.47 -2.78 -0.11 0.00 -1.16 0.00 0.00 32.46 28.88 1b4m n ARG 105 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1b4m s GLY 106 N 5.56 2.20 0.00 -0.13 0.00 -1.05 -2.97 107.32 110.93 1b4m s GLY 106 Ca 0.60 -2.85 0.25 0.00 0.00 0.00 0.00 44.72 42.72 1b4m s GLY 106 CO 0.18 1.04 1.70 -2.67 0.00 0.00 0.00 173.10 173.36 1b4m n TRP 107 N 4.06 0.08 -0.31 1.90 2.14 -1.23 -2.00 117.44 122.08 1b4m n TRP 107 Ca 0.02 -0.04 -0.10 0.00 2.07 0.00 0.00 57.50 59.45 1b4m n TRP 107 Cb 0.39 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.89 1b4m n TRP 107 CO 0.00 0.00 0.00 0.36 2.07 0.00 0.00 177.69 180.12 1b4m n LYS 108 N 0.10 0.00 -3.25 -2.67 2.85 -1.22 -3.61 118.16 110.37 1b4m n LYS 108 Ca 0.18 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.25 1b4m n LYS 108 Cb 0.31 -0.23 -0.01 0.00 -0.65 0.00 0.00 35.03 34.46 1b4m n LYS 108 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1b4m s GLN 109 N -0.23 2.70 0.14 -1.58 1.11 -0.81 -3.04 119.66 117.95 1b4m s GLN 109 Ca 0.14 -1.37 0.00 0.00 0.01 0.00 0.00 55.36 54.14 1b4m s GLN 109 Cb -0.19 -2.59 0.00 0.00 -1.01 0.00 0.00 33.01 29.21 1b4m s GLN 109 CO 0.13 -0.24 0.00 0.91 0.01 0.00 0.00 175.29 176.10 1b4m n TRP 110 N -1.72 -0.75 -0.52 0.91 5.03 -1.24 -3.92 117.44 115.23 1b4m n TRP 110 Ca 0.06 0.13 0.00 0.00 3.03 0.00 0.00 57.50 60.72 1b4m n TRP 110 Cb 0.60 0.21 0.00 0.00 -1.03 0.00 0.00 31.31 31.09 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1b4m n VAL 111 N -3.36 -0.35 -3.66 -0.99 0.31 -1.26 -4.13 118.33 104.90 1b4m n VAL 111 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1b4m n VAL 111 Cb 0.07 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N -2.35 3.85 0.00 5.55 0.41 -1.24 -4.88 118.70 120.04 1b4m s GLU 112 Ca 0.00 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 1b4m s GLU 112 Cb 0.00 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1b4m s GLU 112 CO 0.00 -0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.01 1b4m n GLY 113 N 4.97 0.00 3.18 -1.39 0.00 -1.26 -3.27 105.19 107.42 1b4m n GLY 113 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.88 -6.71 0.00 1.61 8.00 -1.26 -4.98 116.55 114.09 1b4m n ASP 114 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1b4m n ASP 114 Cb 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -0.10 -0.63 -3.08 -1.24 2.85 -1.20 -4.58 118.16 110.18 1b4m n LYS 115 Ca 0.01 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1b4m n LYS 115 Cb 0.55 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.89 1b4m n LYS 115 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1b4m n LEU 116 N 0.00 -0.83 -4.62 -5.58 0.00 -1.26 -3.73 117.00 100.97 1b4m n LEU 116 Ca 0.00 -4.23 -0.58 0.00 0.00 0.00 0.00 56.01 51.20 1b4m n LEU 116 Cb 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 43.42 44.03 1b4m n LEU 116 CO 0.00 2.03 0.95 -1.22 0.00 0.00 0.00 177.39 179.15 1b4m n TYR 117 N 1.66 1.44 -3.84 1.96 4.01 -1.26 -4.82 117.16 116.31 1b4m n TYR 117 Ca 0.19 0.81 -0.36 0.00 -0.16 0.00 0.00 57.90 58.38 1b4m n TYR 117 Cb 0.55 -2.28 -0.13 0.00 -0.31 0.00 0.00 39.34 37.17 1b4m n TYR 117 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1b4m s LEU 118 N 1.43 3.33 -0.37 7.72 1.43 -1.26 -3.64 118.68 127.32 1b4m s LEU 118 Ca 0.93 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1b4m s LEU 118 Cb -1.15 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 43.34 1b4m s LEU 118 CO 0.59 -0.09 0.15 -1.61 0.23 0.00 0.00 176.35 175.62 1b4m s GLU 119 N 1.49 2.35 -0.21 1.70 2.02 -1.17 0.15 118.70 125.02 1b4m s GLU 119 Ca 0.04 -1.49 -0.02 0.00 0.02 0.00 0.00 54.97 53.52 1b4m s GLU 119 Cb -0.16 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.57 1b4m s GLU 119 CO -0.00 -0.87 -0.10 -0.48 0.02 0.00 0.00 175.26 173.83 1b4m s LEU 120 N 1.28 2.72 0.04 1.80 0.05 0.48 -3.37 118.68 121.69 1b4m s LEU 120 Ca 0.02 -0.58 -0.07 0.00 0.05 0.00 0.00 54.13 53.56 1b4m s LEU 120 Cb -0.22 -1.64 -0.05 0.00 -2.05 0.00 0.00 46.19 42.23 1b4m s LEU 120 CO -0.01 -0.04 0.31 -0.89 -0.55 0.00 0.00 176.35 175.17 1b4m s THR 121 N 1.39 5.25 -0.26 5.48 2.01 -0.85 0.94 115.64 129.59 1b4m s THR 121 Ca 0.04 0.17 0.18 0.00 0.31 0.00 0.00 61.69 62.39 1b4m s THR 121 Cb -0.14 -3.59 0.49 0.00 0.01 0.00 0.00 72.50 69.26 1b4m s THR 121 CO -0.07 0.29 1.14 0.00 -0.69 0.00 0.00 174.62 175.29 1b4m n GLY 123 N -0.62 2.30 0.00 0.00 0.00 -1.26 -4.30 105.19 101.32 1b4m n GLY 123 Ca 0.19 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N 1.16 2.09 -4.88 1.61 9.92 -1.26 -4.68 116.55 120.51 1b4m n ASP 124 Ca 0.00 -0.09 -0.22 0.00 -0.53 0.00 0.00 54.79 53.95 1b4m n ASP 124 Cb 0.00 1.47 -0.03 0.00 -0.64 0.00 0.00 41.12 41.92 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1b4m s GLN 125 N -2.73 3.13 -0.04 -1.24 -1.52 -1.26 -5.11 119.66 110.89 1b4m s GLN 125 Ca -0.03 -0.94 0.01 0.00 -1.95 0.00 0.00 55.36 52.45 1b4m s GLN 125 Cb 0.08 -2.69 0.02 0.00 -0.22 0.00 0.00 33.01 30.19 1b4m s GLN 125 CO 0.49 0.41 -0.06 0.14 -0.25 0.00 0.00 175.29 176.03 1b4m s VAL 126 N -2.07 0.58 -0.19 1.09 -7.23 -1.26 -0.16 120.40 111.16 1b4m s VAL 126 Ca 0.33 -0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 60.32 1b4m s VAL 126 Cb -0.08 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.29 1b4m s VAL 126 CO 0.26 0.22 -0.16 0.00 -0.31 0.00 0.00 175.10 175.12 1b4m s ARG 128 N 1.33 2.71 0.97 0.00 3.52 -1.26 -0.38 118.95 125.84 1b4m s ARG 128 Ca 0.05 -1.55 -0.12 0.00 -0.13 0.00 0.00 55.73 53.98 1b4m s ARG 128 Cb -0.14 -3.97 0.17 0.00 -1.56 0.00 0.00 34.95 29.45 1b4m s ARG 128 CO -0.10 -1.09 1.09 -0.65 -0.81 0.00 0.00 175.30 173.74 1b4m s GLN 129 N 1.48 0.64 -0.41 5.12 -0.21 0.12 -4.17 119.66 122.23 1b4m s GLN 129 Ca 0.04 0.73 0.04 0.00 0.02 0.00 0.00 55.36 56.18 1b4m s GLN 129 Cb -0.25 -1.74 0.17 0.00 1.00 0.00 0.00 33.01 32.18 1b4m s GLN 129 CO 0.02 -2.64 0.36 0.08 -2.12 0.00 0.00 175.29 171.00 1b4m s VAL 130 N -2.88 0.19 1.21 1.09 1.01 -1.05 -4.49 120.40 115.48 1b4m s VAL 130 Ca 0.65 -2.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 1b4m s VAL 130 Cb -0.19 -1.12 0.29 0.00 0.00 0.00 0.00 36.38 35.35 1b4m s VAL 130 CO 0.58 -1.10 1.06 -0.36 0.00 0.00 0.00 175.10 175.27 1b4m s PHE 131 N 0.24 0.63 -0.29 5.22 0.08 -1.21 -3.97 117.98 118.68 1b4m s PHE 131 Ca 0.31 0.68 0.06 0.00 0.12 0.00 0.00 56.93 58.10 1b4m s PHE 131 Cb 0.01 -3.25 0.20 0.00 -0.57 0.00 0.00 43.02 39.41 1b4m s PHE 131 CO -0.17 -3.97 0.59 0.21 -0.10 0.00 0.00 175.22 171.79 1b4m s LYS 132 N -5.14 0.57 -0.25 0.44 2.47 -1.24 -4.82 119.74 111.76 1b4m s LYS 132 Ca 0.69 0.52 -0.30 0.00 -1.56 0.00 0.00 55.97 55.32 1b4m s LYS 132 Cb -0.14 0.24 -0.07 0.00 -1.46 0.00 0.00 37.83 36.40 1b4m s LYS 132 CO 0.58 -1.05 2.22 1.17 0.16 0.00 0.00 175.35 178.42 1b4m n LYS 133 N 5.39 1.72 0.00 4.03 4.81 -1.26 -3.23 118.16 129.62 1b4m n LYS 133 Ca 0.05 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1b4m n LYS 133 Cb 0.54 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.55 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93