#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k93 n GLU 6 N 0.00 0.06 0.10 -0.78 1.02 -1.26 -4.81 120.64 114.97 1k93 n GLU 6 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1k93 n GLU 6 Cb 0.00 -0.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.76 1k93 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1k93 h GLU 7 N 0.00 0.61 -0.76 3.49 5.08 -2.05 0.34 114.58 121.29 1k93 h GLU 7 Ca 0.00 -0.84 0.18 0.00 -1.00 0.00 0.00 59.36 57.69 1k93 h GLU 7 Cb 0.04 0.28 -0.13 0.00 0.50 0.00 0.00 28.75 29.45 1k93 h GLU 7 CO 0.00 1.39 0.06 1.96 -1.00 0.00 0.00 179.01 181.42 1k93 h GLN 8 N 0.24 0.13 0.11 2.33 1.08 -2.01 0.59 115.11 117.58 1k93 h GLN 8 Ca -0.20 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.73 1k93 h GLN 8 Cb 1.95 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1k93 h GLN 8 CO 0.24 0.09 -1.24 0.82 -0.95 0.00 0.00 178.83 177.80 1k93 h ILE 9 N 0.14 1.50 -0.70 2.54 2.04 -1.87 -3.30 117.51 117.87 1k93 h ILE 9 Ca 0.43 -3.10 0.04 0.00 1.00 0.00 0.00 64.86 63.23 1k93 h ILE 9 Cb 0.76 2.91 -0.04 0.00 -0.74 0.00 0.00 36.82 39.72 1k93 h ILE 9 CO -0.64 0.90 0.46 0.00 0.00 0.00 0.00 178.15 178.87 1k93 h ALA 10 N 0.64 1.63 -0.02 1.87 0.00 0.32 -1.73 119.26 121.97 1k93 h ALA 10 Ca -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1k93 h ALA 10 Cb 1.95 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1k93 h ALA 10 CO 0.19 0.29 -0.02 0.93 0.00 0.00 0.00 179.25 180.63 1k93 h GLU 11 N 0.81 0.06 0.78 0.00 5.08 -0.11 -1.07 114.58 120.13 1k93 h GLU 11 Ca 0.28 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1k93 h GLU 11 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k93 h GLU 11 CO -0.08 0.52 -0.40 0.74 -1.00 0.00 0.00 179.01 178.79 1k93 h PHE 12 N -0.41 -1.04 -0.02 4.33 0.04 -1.60 -1.24 116.94 117.01 1k93 h PHE 12 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1k93 h PHE 12 Cb 0.51 0.35 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1k93 h PHE 12 CO 0.09 -0.63 0.14 -0.22 -0.60 0.00 0.00 178.31 177.09 1k93 h LYS 13 N -1.08 0.00 -0.08 1.51 3.64 -1.41 -1.36 116.57 117.79 1k93 h LYS 13 Ca -0.10 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 1k93 h LYS 13 Cb 0.84 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1k93 h LYS 13 CO 0.16 0.00 -0.53 1.49 -2.27 0.00 0.00 179.45 178.30 1k93 h GLU 14 N 0.00 0.50 -0.14 1.90 4.22 -0.07 -3.29 114.58 117.70 1k93 h GLU 14 Ca 0.01 -0.43 -0.14 0.00 0.08 0.00 0.00 59.36 58.88 1k93 h GLU 14 Cb 0.29 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1k93 h GLU 14 CO -0.00 1.06 -0.49 0.00 -2.18 0.00 0.00 179.01 177.40 1k93 h ALA 15 N 0.44 0.89 -1.12 2.92 0.00 -0.34 -3.23 119.26 118.82 1k93 h ALA 15 Ca -0.04 -0.48 0.32 0.00 0.00 0.00 0.00 54.91 54.71 1k93 h ALA 15 Cb 1.18 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1k93 h ALA 15 CO 0.11 0.66 0.79 0.35 0.00 0.00 0.00 179.25 181.16 1k93 h PHE 16 N 0.30 0.14 -0.03 0.00 3.57 -1.51 0.14 116.94 119.55 1k93 h PHE 16 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k93 h PHE 16 Cb 0.98 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1k93 h PHE 16 CO 0.03 0.01 0.00 0.43 -2.23 0.00 0.00 178.31 176.55 1k93 n SER 17 N -4.29 0.77 0.02 0.41 7.64 -1.22 -3.99 113.62 112.96 1k93 n SER 17 Ca 0.25 -1.36 -0.01 0.00 1.01 0.00 0.00 58.87 58.76 1k93 n SER 17 Cb 1.14 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 64.22 1k93 n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1k93 n LEU 18 N -0.36 0.79 -2.61 -3.43 4.77 0.49 -4.60 117.00 112.05 1k93 n LEU 18 Ca 0.19 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1k93 n LEU 18 Cb 0.22 0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1k93 n LEU 18 CO 0.15 0.19 0.02 0.33 -1.33 0.00 0.00 177.39 176.75 1k93 n PHE 19 N -2.88 1.71 -3.81 -1.77 -0.00 -1.26 -5.04 117.46 104.41 1k93 n PHE 19 Ca -0.12 -2.36 -0.34 0.00 -0.00 0.00 0.00 57.45 54.64 1k93 n PHE 19 Cb 0.88 -0.27 -0.11 0.00 -0.00 0.00 0.00 39.48 39.97 1k93 n PHE 19 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1k93 s ASP 20 N -3.61 4.92 0.00 -2.13 3.68 -1.26 -4.92 116.67 113.35 1k93 s ASP 20 Ca 0.33 -3.04 -0.04 0.00 2.13 0.00 0.00 52.55 51.94 1k93 s ASP 20 Cb 0.37 -1.77 -0.16 0.00 -1.45 0.00 0.00 42.92 39.91 1k93 s ASP 20 CO -0.02 -0.29 2.61 1.17 0.13 0.00 0.00 175.17 178.77 1k93 n LYS 21 N 3.17 1.37 0.00 4.34 0.00 -1.26 -2.47 118.16 123.31 1k93 n LYS 21 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 58.31 57.79 1k93 n LYS 21 Cb 0.35 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.66 1k93 n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k93 n ASP 22 N 2.41 1.49 0.00 3.14 4.64 -1.26 -5.05 116.55 121.92 1k93 n ASP 22 Ca 0.26 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.67 1k93 n ASP 22 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.72 1k93 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1k93 n GLY 23 N 2.68 2.95 1.68 0.27 0.00 -1.03 -4.85 105.19 106.90 1k93 n GLY 23 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1k93 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k93 n ASP 24 N 0.00 5.04 -3.79 1.61 8.00 -1.26 -4.93 116.55 121.21 1k93 n ASP 24 Ca 0.00 -2.71 -0.28 0.00 0.71 0.00 0.00 54.79 52.52 1k93 n ASP 24 Cb 0.00 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.48 1k93 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k93 n GLY 25 N 0.74 -0.59 2.26 0.44 0.00 -1.26 -4.93 105.19 101.84 1k93 n GLY 25 Ca 0.25 0.29 -0.19 0.00 0.00 0.00 0.00 46.02 46.37 1k93 n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k93 n THR 26 N -4.28 -0.34 -0.90 2.61 -2.24 -1.24 -3.71 114.28 104.18 1k93 n THR 26 Ca -0.21 -4.02 -0.29 0.00 -2.27 0.00 0.00 64.05 57.27 1k93 n THR 26 Cb 0.64 -0.65 0.21 0.00 -2.10 0.00 0.00 70.33 68.42 1k93 n THR 26 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1k93 s ILE 27 N -1.64 2.07 0.46 2.28 -4.36 0.11 -4.23 121.20 115.89 1k93 s ILE 27 Ca 0.37 0.02 0.07 0.00 -0.26 0.00 0.00 60.65 60.85 1k93 s ILE 27 Cb 0.28 -2.32 0.03 0.00 1.25 0.00 0.00 42.46 41.69 1k93 s ILE 27 CO -0.10 -0.03 0.64 0.42 0.24 0.00 0.00 174.94 176.11 1k93 s THR 28 N -2.75 2.83 -1.89 8.37 -4.23 -1.26 0.23 115.64 116.95 1k93 s THR 28 Ca 0.67 -0.94 0.25 0.00 -1.18 0.00 0.00 61.69 60.48 1k93 s THR 28 Cb -0.21 -2.88 0.66 0.00 1.34 0.00 0.00 72.50 71.41 1k93 s THR 28 CO 0.61 0.00 1.86 0.41 -0.54 0.00 0.00 174.62 176.96 1k93 n THR 29 N -1.99 0.05 0.07 3.99 -1.04 -1.16 -2.22 114.28 111.98 1k93 n THR 29 Ca 0.09 0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 62.01 1k93 n THR 29 Cb 0.59 -0.61 0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1k93 n THR 29 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k93 h LYS 30 N 0.00 0.33 -0.01 -2.82 1.57 -1.93 -3.26 116.57 110.45 1k93 h LYS 30 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1k93 h LYS 30 Cb 0.05 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1k93 h LYS 30 CO 0.00 0.98 -0.54 -0.85 -0.57 0.00 0.00 179.45 178.47 1k93 n GLU 31 N -3.77 1.60 -0.34 3.15 0.28 -1.00 -4.47 120.64 116.10 1k93 n GLU 31 Ca -0.04 -0.47 0.10 0.00 -0.16 0.00 0.00 57.16 56.58 1k93 n GLU 31 Cb 0.76 -1.29 0.27 0.00 1.43 0.00 0.00 31.44 32.61 1k93 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1k93 h LEU 32 N 1.06 0.73 -0.60 -1.84 5.85 -1.49 0.43 115.31 119.45 1k93 h LEU 32 Ca 0.00 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1k93 h LEU 32 Cb 0.50 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1k93 h LEU 32 CO 0.00 0.30 -0.70 1.23 -0.34 0.00 0.00 178.44 178.94 1k93 h GLY 33 N 0.77 0.02 1.13 3.75 0.00 -1.78 -1.74 103.07 105.21 1k93 h GLY 33 Ca 0.52 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 1k93 h GLY 33 CO -0.35 0.02 0.14 -0.84 0.00 0.00 0.00 176.54 175.51 1k93 h THR 34 N 0.01 1.26 0.07 4.70 2.02 -0.50 -2.53 112.91 117.93 1k93 h THR 34 Ca -0.01 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1k93 h THR 34 Cb 1.23 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1k93 h THR 34 CO 0.09 0.37 -0.03 0.58 0.37 0.00 0.00 175.52 176.90 1k93 h VAL 35 N 1.01 1.19 -0.14 3.16 2.07 -0.75 -2.53 116.25 120.25 1k93 h VAL 35 Ca 0.21 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.27 1k93 h VAL 35 Cb 0.39 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1k93 h VAL 35 CO 0.01 0.34 0.30 0.24 0.02 0.00 0.00 177.57 178.48 1k93 h MET 36 N -0.84 0.00 0.08 1.57 2.86 -1.34 -1.73 114.93 115.54 1k93 h MET 36 Ca -0.01 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.29 1k93 h MET 36 Cb 0.63 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1k93 h MET 36 CO 0.01 0.00 -1.92 0.54 1.06 0.00 0.00 176.91 176.60 1k93 n ARG 37 N -3.30 0.70 0.00 1.72 1.74 -0.96 -1.13 116.66 115.43 1k93 n ARG 37 Ca 0.01 0.32 0.05 0.00 -0.77 0.00 0.00 57.85 57.46 1k93 n ARG 37 Cb 0.40 -1.69 0.21 0.00 -1.02 0.00 0.00 32.46 30.36 1k93 n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1k93 n SER 38 N -3.70 0.02 -1.45 0.55 7.64 -0.94 -1.58 113.62 114.16 1k93 n SER 38 Ca -0.35 0.51 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 1k93 n SER 38 Cb 0.95 -0.51 0.24 0.00 -1.01 0.00 0.00 64.21 63.89 1k93 n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1k93 n LEU 39 N -1.52 4.93 -1.25 -3.43 7.94 -0.69 -4.96 117.00 118.00 1k93 n LEU 39 Ca 0.02 -3.40 -0.06 0.00 -1.11 0.00 0.00 56.01 51.46 1k93 n LEU 39 Cb 0.11 -0.67 0.02 0.00 0.53 0.00 0.00 43.42 43.41 1k93 n LEU 39 CO 0.09 0.95 0.05 0.61 -1.11 0.00 0.00 177.39 177.98 1k93 n GLY 40 N -0.70 0.49 3.09 -3.96 0.00 -0.61 -5.00 105.19 98.49 1k93 n GLY 40 Ca 0.35 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1k93 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k93 s GLN 41 N -5.21 0.31 -0.61 1.61 -0.21 -0.28 -5.00 119.66 110.26 1k93 s GLN 41 Ca 0.14 0.07 0.06 0.00 0.02 0.00 0.00 55.36 55.65 1k93 s GLN 41 Cb -0.06 0.14 0.22 0.00 1.00 0.00 0.00 33.01 34.31 1k93 s GLN 41 CO 0.17 -0.06 0.60 0.09 -2.12 0.00 0.00 175.29 173.98 1k93 n ASN 42 N 2.50 2.74 -4.77 5.90 3.02 -1.26 -2.98 115.26 120.42 1k93 n ASN 42 Ca -0.16 -3.19 -0.34 0.00 -0.03 0.00 0.00 54.58 50.87 1k93 n ASN 42 Cb 0.58 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1k93 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k93 s PRO 43 N -1.78 2.92 0.16 3.52 0.04 -1.26 -5.03 135.00 133.57 1k93 s PRO 43 Ca 0.34 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 1k93 s PRO 43 Cb 0.08 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1k93 s PRO 43 CO -0.09 -1.18 0.54 0.95 0.04 0.00 0.00 177.00 177.26 1k93 s THR 44 N -2.07 4.89 0.53 1.26 -4.23 -1.26 -4.95 115.64 109.81 1k93 s THR 44 Ca 0.70 0.72 0.32 0.00 -1.18 0.00 0.00 61.69 62.26 1k93 s THR 44 Cb -0.23 -3.70 0.50 0.00 1.34 0.00 0.00 72.50 70.41 1k93 s THR 44 CO 0.37 0.18 1.85 -0.33 -0.54 0.00 0.00 174.62 176.15 1k93 h GLU 45 N 3.35 0.04 -0.37 3.99 4.39 -1.99 0.18 114.58 124.17 1k93 h GLU 45 Ca -0.48 -0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 1k93 h GLU 45 Cb 1.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1k93 h GLU 45 CO 0.66 0.02 -0.31 0.00 -1.16 0.00 0.00 179.01 178.23 1k93 h ALA 46 N 1.51 0.75 -0.16 3.43 0.00 -2.01 -3.13 119.26 119.66 1k93 h ALA 46 Ca 0.48 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1k93 h ALA 46 Cb 1.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1k93 h ALA 46 CO -0.03 0.66 -0.71 0.93 0.00 0.00 0.00 179.25 180.10 1k93 h GLU 47 N 0.68 0.69 0.00 0.00 5.08 -1.06 -2.54 114.58 117.43 1k93 h GLU 47 Ca 0.07 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1k93 h GLU 47 Cb 0.86 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1k93 h GLU 47 CO 0.08 1.15 0.00 1.28 -1.00 0.00 0.00 179.01 180.51 1k93 n LEU 48 N -3.92 0.53 -0.12 1.33 4.77 -0.82 -2.98 117.00 115.78 1k93 n LEU 48 Ca -0.06 0.70 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 1k93 n LEU 48 Cb 0.71 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1k93 n LEU 48 CO 0.51 -0.75 -1.16 0.00 -1.33 0.00 0.00 177.39 174.65 1k93 n GLN 49 N -2.16 0.57 0.28 3.23 1.13 -1.10 -3.83 117.38 115.50 1k93 n GLN 49 Ca 0.00 0.29 0.13 0.00 -1.94 0.00 0.00 57.00 55.49 1k93 n GLN 49 Cb 0.10 -1.51 0.82 0.00 0.11 0.00 0.00 30.24 29.76 1k93 n GLN 49 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1k93 h ASP 50 N -1.00 0.00 0.00 1.08 3.04 -1.49 -3.00 116.42 115.05 1k93 h ASP 50 Ca -0.50 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.25 1k93 h ASP 50 Cb 1.42 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.70 1k93 h ASP 50 CO -0.30 0.05 -0.25 0.24 -2.04 0.00 0.00 179.24 176.94 1k93 h MET 51 N 0.00 0.00 -0.01 4.15 2.86 -1.77 -3.30 114.93 116.87 1k93 h MET 51 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k93 h MET 51 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1k93 h MET 51 CO 0.01 0.67 0.00 1.51 1.06 0.00 0.00 176.91 180.16 1k93 n ILE 52 N -4.62 0.00 -0.05 -1.22 0.13 -1.16 -1.86 119.36 110.59 1k93 n ILE 52 Ca -0.11 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.48 1k93 n ILE 52 Cb 0.38 -0.40 -0.05 0.00 -0.84 0.00 0.00 39.64 38.72 1k93 n ILE 52 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1k93 n ASN 53 N -0.47 3.13 0.01 9.51 5.15 -1.14 -4.26 115.26 127.19 1k93 n ASN 53 Ca 0.00 -0.03 -0.01 0.00 -0.60 0.00 0.00 54.58 53.94 1k93 n ASN 53 Cb 0.00 0.16 -0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1k93 n ASN 53 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1k93 h GLU 54 N 0.00 -0.04 0.15 1.20 4.81 -1.44 -3.27 114.58 115.98 1k93 h GLU 54 Ca -0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1k93 h GLU 54 Cb 1.41 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1k93 h GLU 54 CO -0.02 -0.03 -0.07 -0.24 -0.73 0.00 0.00 179.01 177.92 1k93 h VAL 55 N -0.24 0.86 -1.42 0.32 3.04 -1.86 -3.19 116.25 113.76 1k93 h VAL 55 Ca -0.00 -0.04 -0.76 0.00 -1.01 0.00 0.00 66.70 64.89 1k93 h VAL 55 Cb 0.03 0.89 -0.15 0.00 -2.01 0.00 0.00 31.29 30.05 1k93 h VAL 55 CO 0.01 0.01 2.10 -0.67 -1.01 0.00 0.00 177.57 178.00 1k93 n ASP 56 N -5.17 7.06 -1.15 3.17 4.64 -1.26 -4.59 116.55 119.26 1k93 n ASP 56 Ca -0.08 -3.20 0.04 0.00 -1.38 0.00 0.00 54.79 50.17 1k93 n ASP 56 Cb 0.11 -1.37 0.21 0.00 -1.04 0.00 0.00 41.12 39.03 1k93 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1k93 n ALA 57 N 2.15 3.09 -0.15 -1.67 0.00 -1.21 -4.30 120.51 118.43 1k93 n ALA 57 Ca 0.53 -0.96 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1k93 n ALA 57 Cb 0.29 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1k93 n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1k93 h ASP 58 N 2.18 0.32 0.00 0.00 3.58 -1.89 -3.47 116.42 117.13 1k93 h ASP 58 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1k93 h ASP 58 Cb 1.15 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1k93 h ASP 58 CO 0.21 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1k93 n GLY 59 N -1.24 0.97 0.32 -0.78 0.00 -1.26 -4.97 105.19 98.23 1k93 n GLY 59 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1k93 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k93 n ASN 60 N 0.06 2.19 0.00 1.61 4.13 -1.26 -5.03 115.26 116.96 1k93 n ASN 60 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1k93 n ASN 60 Cb 0.00 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1k93 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k93 n GLY 61 N 2.76 0.60 3.62 7.41 0.00 -1.26 -5.05 105.19 113.28 1k93 n GLY 61 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1k93 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k93 s THR 62 N -2.35 4.99 -0.16 2.61 -4.23 -1.26 -2.97 115.64 112.27 1k93 s THR 62 Ca 0.00 1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 61.56 1k93 s THR 62 Cb 0.00 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1k93 s THR 62 CO 0.00 0.03 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.47 1k93 s ILE 63 N 2.49 4.15 0.00 2.99 1.09 0.64 -4.88 121.20 127.68 1k93 s ILE 63 Ca 0.26 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 1k93 s ILE 63 Cb -0.15 -2.84 0.00 0.00 -1.06 0.00 0.00 42.46 38.41 1k93 s ILE 63 CO 0.09 0.48 0.00 -0.90 -0.10 0.00 0.00 174.94 174.51 1k93 n ASP 64 N 3.54 0.91 0.27 3.58 5.68 -1.25 0.08 116.55 129.38 1k93 n ASP 64 Ca -0.17 -0.29 -0.11 0.00 -0.50 0.00 0.00 54.79 53.72 1k93 n ASP 64 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1k93 n ASP 64 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1k93 h PHE 65 N 0.13 -0.68 -0.99 2.11 -1.00 -1.93 -1.25 116.94 113.33 1k93 h PHE 65 Ca 0.00 -0.02 0.36 0.00 2.81 0.00 0.00 57.97 61.12 1k93 h PHE 65 Cb 0.00 0.22 -0.17 0.00 3.61 0.00 0.00 35.95 39.62 1k93 h PHE 65 CO 0.00 -0.42 0.50 -1.35 -1.61 0.00 0.00 178.31 175.43 1k93 h PRO 66 N -1.02 0.14 0.16 1.51 0.11 -1.98 1.05 132.00 131.98 1k93 h PRO 66 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1k93 h PRO 66 Cb 0.56 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1k93 h PRO 66 CO 0.12 0.09 -0.08 0.93 -0.21 0.00 0.00 178.00 178.86 1k93 h GLU 67 N 0.14 -0.20 -0.51 1.05 5.08 -1.96 -2.62 114.58 115.56 1k93 h GLU 67 Ca 0.77 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.14 1k93 h GLU 67 Cb 1.88 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1k93 h GLU 67 CO -0.71 0.23 0.30 0.35 -1.00 0.00 0.00 179.01 178.18 1k93 h PHE 68 N -0.86 0.68 -0.34 4.33 3.57 0.11 -1.71 116.94 122.72 1k93 h PHE 68 Ca -0.02 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1k93 h PHE 68 Cb 0.52 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1k93 h PHE 68 CO 0.09 0.48 0.12 -0.07 -2.23 0.00 0.00 178.31 176.69 1k93 h LEU 69 N 0.69 0.13 -1.28 0.59 3.38 0.97 -1.63 115.31 118.16 1k93 h LEU 69 Ca 0.18 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1k93 h LEU 69 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1k93 h LEU 69 CO -0.03 0.11 -0.05 0.74 0.09 0.00 0.00 178.44 179.30 1k93 h THR 70 N 0.26 1.19 0.29 0.22 2.02 -1.19 0.57 112.91 116.28 1k93 h THR 70 Ca 0.16 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1k93 h THR 70 Cb 0.13 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1k93 h THR 70 CO -0.16 0.26 -0.14 0.24 0.37 0.00 0.00 175.52 176.09 1k93 h MET 71 N 0.41 -0.38 -0.03 6.66 2.86 -0.70 -1.95 114.93 121.81 1k93 h MET 71 Ca 0.09 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1k93 h MET 71 Cb 0.35 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1k93 h MET 71 CO 0.01 -0.10 0.03 0.52 1.06 0.00 0.00 176.91 178.44 1k93 h MET 72 N -0.65 0.00 -2.36 1.72 2.86 -1.16 -2.89 114.93 112.45 1k93 h MET 72 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1k93 h MET 72 Cb 0.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1k93 h MET 72 CO 0.07 0.00 0.01 0.00 1.06 0.00 0.00 176.91 178.04 1k93 n ALA 73 N -2.40 3.76 0.14 6.32 0.00 0.18 -2.73 120.51 125.78 1k93 n ALA 73 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1k93 n ALA 73 Cb 0.12 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1k93 n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k93 n ARG 74 N 2.53 0.00 -0.01 0.00 3.00 -1.09 -4.95 116.66 116.13 1k93 n ARG 74 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.95 1k93 n ARG 74 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.89 1k93 n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1k93 h LYS 75 N 0.00 -0.31 -2.26 -0.14 3.11 -1.61 -2.87 116.57 112.49 1k93 h LYS 75 Ca 0.00 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 1k93 h LYS 75 Cb 0.00 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1k93 h LYS 75 CO 0.00 -0.21 0.10 -1.33 -2.81 0.00 0.00 179.45 175.20 1k93 n MET 76 N -5.39 0.34 -0.09 1.90 2.81 -1.19 -3.62 117.12 111.89 1k93 n MET 76 Ca -0.02 -0.09 -0.17 0.00 -1.81 0.00 0.00 57.70 55.61 1k93 n MET 76 Cb 0.30 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.29 1k93 n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1k93 n LYS 77 N 2.23 0.42 -0.09 0.03 3.00 -1.08 -4.57 118.16 118.09 1k93 n LYS 77 Ca 0.04 0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 58.43 1k93 n LYS 77 Cb 0.16 -1.21 -0.13 0.00 0.00 0.00 0.00 35.03 33.85 1k93 n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1k93 n ASP 78 N -4.01 0.88 0.26 3.14 -0.08 -1.24 -4.42 116.55 111.08 1k93 n ASP 78 Ca -0.30 -0.02 0.10 0.00 -1.51 0.00 0.00 54.79 53.06 1k93 n ASP 78 Cb 0.65 0.72 0.69 0.00 2.34 0.00 0.00 41.12 45.52 1k93 n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k93 h THR 79 N 0.00 0.78 0.00 5.18 1.03 -1.87 -2.98 112.91 115.05 1k93 h THR 79 Ca -0.49 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 1k93 h THR 79 Cb 2.04 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 1k93 h THR 79 CO 0.01 0.11 0.04 -0.67 -0.01 0.00 0.00 175.52 174.99 1k93 n ASP 80 N -3.98 0.00 0.00 0.00 2.03 -1.26 -3.25 116.55 110.08 1k93 n ASP 80 Ca -0.02 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1k93 n ASP 80 Cb 0.20 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1k93 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1k93 n SER 81 N -1.12 0.00 -0.25 1.67 7.64 -1.13 -3.36 113.62 117.07 1k93 n SER 81 Ca 0.00 0.06 0.25 0.00 1.01 0.00 0.00 58.87 60.19 1k93 n SER 81 Cb 0.04 -0.06 0.45 0.00 -1.01 0.00 0.00 64.21 63.62 1k93 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1k93 n GLU 82 N -0.91 -0.04 0.08 1.43 2.13 -1.20 0.17 120.64 122.30 1k93 n GLU 82 Ca 0.00 1.01 -0.12 0.00 0.66 0.00 0.00 57.16 58.70 1k93 n GLU 82 Cb 0.04 -1.83 -0.05 0.00 0.27 0.00 0.00 31.44 29.86 1k93 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k93 h GLU 83 N 0.00 -0.45 -0.48 5.31 4.39 -1.92 -0.76 114.58 120.67 1k93 h GLU 83 Ca 0.63 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.34 1k93 h GLU 83 Cb 1.73 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.46 1k93 h GLU 83 CO -0.53 -0.30 0.20 0.93 -1.16 0.00 0.00 179.01 178.15 1k93 h GLU 84 N -0.47 0.67 0.01 2.33 3.07 -0.60 -2.30 114.58 117.30 1k93 h GLU 84 Ca 0.05 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1k93 h GLU 84 Cb 0.53 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1k93 h GLU 84 CO -0.21 0.55 -0.01 0.82 -1.40 0.00 0.00 179.01 178.76 1k93 h ILE 85 N 0.67 1.05 -0.66 3.13 2.04 -1.15 0.23 117.51 122.82 1k93 h ILE 85 Ca 0.17 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1k93 h ILE 85 Cb 0.11 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1k93 h ILE 85 CO -0.02 0.05 0.43 -0.09 0.00 0.00 0.00 178.15 178.53 1k93 h ARG 86 N -0.10 0.66 -0.08 2.37 2.43 -0.81 0.24 114.38 119.08 1k93 h ARG 86 Ca -0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 1k93 h ARG 86 Cb 0.09 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1k93 h ARG 86 CO 0.00 0.43 -0.76 0.93 -1.51 0.00 0.00 179.97 179.07 1k93 h GLU 87 N 0.68 0.47 -0.04 0.20 5.08 -0.90 -2.88 114.58 117.19 1k93 h GLU 87 Ca 0.28 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1k93 h GLU 87 Cb 0.25 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1k93 h GLU 87 CO -0.09 1.03 0.02 0.00 -1.00 0.00 0.00 179.01 178.98 1k93 h ALA 88 N 0.85 0.05 -0.55 3.43 0.00 0.13 -2.29 119.26 120.88 1k93 h ALA 88 Ca -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1k93 h ALA 88 Cb 1.35 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.01 1k93 h ALA 88 CO 0.14 -0.42 -0.22 0.35 0.00 0.00 0.00 179.25 179.09 1k93 h PHE 89 N -0.00 -0.56 -0.03 0.00 3.57 -0.57 0.36 116.94 119.71 1k93 h PHE 89 Ca 0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1k93 h PHE 89 Cb 0.06 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1k93 h PHE 89 CO -0.06 -0.31 0.04 0.00 -2.23 0.00 0.00 178.31 175.75 1k93 h ARG 90 N -0.09 0.00 -0.44 1.11 3.08 -1.23 -0.42 114.38 116.39 1k93 h ARG 90 Ca 0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 1k93 h ARG 90 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1k93 h ARG 90 CO -0.61 0.00 -0.24 0.28 -1.07 0.00 0.00 179.97 178.33 1k93 h VAL 91 N 0.00 1.27 0.04 2.04 2.07 0.25 -3.25 116.25 118.67 1k93 h VAL 91 Ca 0.01 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1k93 h VAL 91 Cb 0.09 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1k93 h VAL 91 CO -0.00 0.48 -0.02 -0.26 0.02 0.00 0.00 177.57 177.79 1k93 h PHE 92 N 0.78 -0.05 0.00 1.57 -1.00 -0.72 -3.37 116.94 114.14 1k93 h PHE 92 Ca 0.10 -0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.43 1k93 h PHE 92 Cb 0.81 0.02 0.11 0.00 3.61 0.00 0.00 35.95 40.50 1k93 h PHE 92 CO 0.06 0.33 1.35 -3.47 -1.61 0.00 0.00 178.31 174.97 1k93 n ASP 93 N -4.93 0.91 0.30 2.17 2.03 -0.74 -4.74 116.55 111.54 1k93 n ASP 93 Ca -0.08 -2.39 0.17 0.00 0.52 0.00 0.00 54.79 53.01 1k93 n ASP 93 Cb 0.21 -0.54 0.86 0.00 -0.72 0.00 0.00 41.12 40.93 1k93 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1k93 h LYS 94 N 9.34 0.00 -0.01 -0.67 1.57 -1.80 -1.65 116.57 123.36 1k93 h LYS 94 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1k93 h LYS 94 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1k93 h LYS 94 CO 1.78 0.00 -0.37 -0.40 -0.57 0.00 0.00 179.45 179.89 1k93 n ASP 95 N -3.07 1.24 -3.01 0.86 5.75 -1.26 -5.01 116.55 112.04 1k93 n ASP 95 Ca -0.01 -1.12 -0.20 0.00 -0.01 0.00 0.00 54.79 53.46 1k93 n ASP 95 Cb 0.37 0.61 0.06 0.00 -1.03 0.00 0.00 41.12 41.13 1k93 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k93 n GLY 96 N 1.12 -0.29 0.04 6.12 0.00 -0.62 -4.89 105.19 106.67 1k93 n GLY 96 Ca 0.05 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1k93 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k93 n ASN 97 N -2.19 0.60 0.00 1.61 6.94 -1.26 -4.93 115.26 116.03 1k93 n ASN 97 Ca -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1k93 n ASN 97 Cb 0.56 0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 1k93 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k93 n GLY 98 N 1.40 0.46 3.18 4.83 0.00 -1.26 -5.06 105.19 108.74 1k93 n GLY 98 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1k93 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k93 s TYR 99 N -2.15 1.34 -0.26 1.61 1.51 -1.26 -4.16 117.35 113.97 1k93 s TYR 99 Ca 0.00 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 1k93 s TYR 99 Cb 0.00 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1k93 s TYR 99 CO 0.00 0.07 0.28 0.42 -1.11 0.00 0.00 175.55 175.21 1k93 s ILE 100 N -1.09 5.25 0.27 2.71 1.01 0.96 -4.71 121.20 125.61 1k93 s ILE 100 Ca 0.01 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1k93 s ILE 100 Cb -0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1k93 s ILE 100 CO 0.02 0.22 0.31 -0.94 0.00 0.00 0.00 174.94 174.56 1k93 s SER 101 N 1.57 5.86 0.14 3.58 1.04 -1.26 -1.33 113.70 123.29 1k93 s SER 101 Ca 0.11 -0.15 -0.21 0.00 0.48 0.00 0.00 55.95 56.18 1k93 s SER 101 Cb -0.16 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.48 1k93 s SER 101 CO 0.10 -0.15 1.66 0.00 0.98 0.00 0.00 173.24 175.83 1k93 h ALA 102 N 1.25 -0.01 -0.51 5.32 0.00 -1.94 0.63 119.26 124.00 1k93 h ALA 102 Ca -0.49 0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1k93 h ALA 102 Cb 1.24 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1k93 h ALA 102 CO 0.59 -0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.00 1k93 h ALA 103 N 0.97 0.06 -0.80 0.00 0.00 -1.98 0.40 119.26 117.91 1k93 h ALA 103 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1k93 h ALA 103 Cb 0.33 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1k93 h ALA 103 CO -0.29 -0.61 0.51 0.93 0.00 0.00 0.00 179.25 179.80 1k93 h GLU 104 N -0.14 0.97 -0.69 0.00 5.08 -1.71 -1.11 114.58 116.97 1k93 h GLU 104 Ca 0.23 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1k93 h GLU 104 Cb 0.51 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1k93 h GLU 104 CO -0.59 0.64 0.39 1.25 -1.00 0.00 0.00 179.01 179.70 1k93 h LEU 105 N 1.00 0.84 0.05 1.33 6.46 0.16 -2.01 115.31 123.14 1k93 h LEU 105 Ca 0.32 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1k93 h LEU 105 Cb 0.01 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.70 1k93 h LEU 105 CO -0.11 0.66 -0.15 -0.09 -0.62 0.00 0.00 178.44 178.12 1k93 h ARG 106 N 0.95 -0.27 0.08 1.25 2.43 0.89 -2.20 114.38 117.52 1k93 h ARG 106 Ca 0.25 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1k93 h ARG 106 Cb -0.00 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1k93 h ARG 106 CO -0.04 -0.18 -0.40 0.45 -1.51 0.00 0.00 179.97 178.28 1k93 h HIS 107 N -0.28 -1.13 -0.99 2.20 3.86 -0.79 0.57 115.15 118.59 1k93 h HIS 107 Ca 0.03 0.03 0.19 0.00 -1.16 0.00 0.00 60.37 59.47 1k93 h HIS 107 Cb 0.32 0.48 -0.10 0.00 1.06 0.00 0.00 27.41 29.17 1k93 h HIS 107 CO -0.18 -0.50 0.61 0.28 0.86 0.00 0.00 177.93 179.01 1k93 h VAL 108 N -0.61 0.70 0.37 2.45 2.07 -1.37 -0.84 116.25 119.02 1k93 h VAL 108 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1k93 h VAL 108 Cb 0.66 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1k93 h VAL 108 CO -0.26 0.13 -0.18 0.24 0.02 0.00 0.00 177.57 177.53 1k93 h MET 109 N 0.70 -0.47 -0.38 1.57 2.07 -0.64 -2.53 114.93 115.25 1k93 h MET 109 Ca 0.56 0.03 0.11 0.00 -2.07 0.00 0.00 59.70 58.33 1k93 h MET 109 Cb 0.96 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.78 1k93 h MET 109 CO -0.34 -0.32 0.33 1.79 1.07 0.00 0.00 176.91 179.45 1k93 h THR 110 N -0.98 0.57 0.00 2.22 1.35 0.29 0.34 112.91 116.71 1k93 h THR 110 Ca -0.05 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.65 1k93 h THR 110 Cb 0.38 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1k93 h THR 110 CO 0.08 0.00 -0.78 0.78 -0.25 0.00 0.00 175.52 175.35 1k93 h ASN 111 N 0.00 0.00 -0.29 5.36 2.35 -1.21 -3.15 115.58 118.64 1k93 h ASN 111 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1k93 h ASN 111 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1k93 h ASN 111 CO -0.00 0.76 0.00 0.18 -1.65 0.00 0.00 177.43 176.72 1k93 n LEU 112 N -3.28 2.10 0.00 1.61 4.77 0.08 -4.91 117.00 117.37 1k93 n LEU 112 Ca 0.01 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1k93 n LEU 112 Cb 0.84 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1k93 n LEU 112 CO 0.44 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1k93 n GLY 113 N 0.77 3.15 3.47 -0.72 0.00 -1.08 -5.01 105.19 105.77 1k93 n GLY 113 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1k93 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k93 s GLU 114 N -0.75 3.88 0.06 1.61 2.56 -1.01 -4.97 118.70 120.07 1k93 s GLU 114 Ca 0.00 -2.18 -0.30 0.00 0.00 0.00 0.00 54.97 52.49 1k93 s GLU 114 Cb 0.00 -5.04 -0.09 0.00 2.00 0.00 0.00 34.13 31.00 1k93 s GLU 114 CO 0.00 -1.81 1.93 0.15 -0.56 0.00 0.00 175.26 174.97 1k93 s LYS 115 N 2.26 4.14 0.18 4.30 -0.14 -1.26 -3.69 119.74 125.53 1k93 s LYS 115 Ca 0.39 2.61 0.11 0.00 -1.36 0.00 0.00 55.97 57.72 1k93 s LYS 115 Cb -0.03 -4.03 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 1k93 s LYS 115 CO -0.04 -0.93 -0.23 -0.51 -0.76 0.00 0.00 175.35 172.89 1k93 s LEU 116 N 4.07 2.43 0.29 3.17 1.43 -1.26 -5.02 118.68 123.78 1k93 s LEU 116 Ca 0.87 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1k93 s LEU 116 Cb -0.43 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1k93 s LEU 116 CO 0.40 0.09 0.73 0.42 0.23 0.00 0.00 176.35 178.23 1k93 s THR 117 N -1.70 4.64 0.60 5.49 -4.23 -1.26 -4.93 115.64 114.24 1k93 s THR 117 Ca 0.19 1.07 0.37 0.00 -1.18 0.00 0.00 61.69 62.14 1k93 s THR 117 Cb -0.08 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 70.43 1k93 s THR 117 CO 0.09 -0.05 2.12 0.44 -0.54 0.00 0.00 174.62 176.68 1k93 h ASP 118 N 2.67 0.00 0.18 3.99 3.45 -2.00 -1.00 116.42 123.71 1k93 h ASP 118 Ca -0.48 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 1k93 h ASP 118 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1k93 h ASP 118 CO 0.65 0.00 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.90 1k93 h GLU 119 N 0.00 -0.24 -0.98 3.56 4.39 -2.00 -2.95 114.58 116.36 1k93 h GLU 119 Ca 0.00 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.87 1k93 h GLU 119 Cb 0.29 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.91 1k93 h GLU 119 CO 0.00 -0.16 0.62 0.93 -1.16 0.00 0.00 179.01 179.24 1k93 h GLU 120 N -0.46 0.82 0.19 2.33 5.08 -1.81 -2.28 114.58 118.44 1k93 h GLU 120 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1k93 h GLU 120 Cb 0.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1k93 h GLU 120 CO 0.04 0.54 -0.19 0.28 -1.00 0.00 0.00 179.01 178.68 1k93 h VAL 121 N 0.84 0.00 0.00 3.13 2.07 -1.30 -0.29 116.25 120.70 1k93 h VAL 121 Ca 0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.03 1k93 h VAL 121 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1k93 h VAL 121 CO -0.29 0.00 0.41 0.44 0.02 0.00 0.00 177.57 178.15 1k93 h ASP 122 N -0.37 0.00 0.03 0.57 3.32 -1.30 0.68 116.42 119.35 1k93 h ASP 122 Ca -0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.79 1k93 h ASP 122 Cb 0.32 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.89 1k93 h ASP 122 CO -0.02 0.00 -0.93 -0.08 -1.72 0.00 0.00 179.24 176.49 1k93 h GLU 123 N 0.00 0.58 -0.44 3.56 4.22 -0.53 -2.83 114.58 119.14 1k93 h GLU 123 Ca 0.00 -0.66 -0.11 0.00 0.08 0.00 0.00 59.36 58.67 1k93 h GLU 123 Cb 0.82 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1k93 h GLU 123 CO 0.00 1.26 -0.14 0.52 -2.18 0.00 0.00 179.01 178.48 1k93 h MET 124 N 0.18 0.87 -0.33 1.92 2.86 0.16 -1.35 114.93 119.24 1k93 h MET 124 Ca -0.12 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1k93 h MET 124 Cb 1.61 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1k93 h MET 124 CO 0.18 0.99 0.21 0.82 1.06 0.00 0.00 176.91 180.17 1k93 h ILE 125 N 0.70 1.06 -0.31 -1.22 1.08 -1.50 -1.96 117.51 115.36 1k93 h ILE 125 Ca 0.11 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1k93 h ILE 125 Cb 0.69 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1k93 h ILE 125 CO 0.05 0.08 0.14 -0.09 -0.69 0.00 0.00 178.15 177.63 1k93 h ARG 126 N 0.42 0.28 -0.06 2.37 9.65 -1.37 0.38 114.38 126.05 1k93 h ARG 126 Ca 0.13 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1k93 h ARG 126 Cb -0.02 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 1k93 h ARG 126 CO -0.05 0.19 -0.36 0.93 2.80 0.00 0.00 179.97 183.48 1k93 h GLU 127 N 0.29 -0.40 -0.21 0.20 4.39 -0.70 -2.79 114.58 115.36 1k93 h GLU 127 Ca 0.13 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1k93 h GLU 127 Cb 0.07 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1k93 h GLU 127 CO -0.11 -0.27 -0.27 0.00 -1.16 0.00 0.00 179.01 177.20 1k93 h ALA 128 N -0.72 1.16 -2.42 3.43 0.00 -1.23 -3.44 119.26 116.04 1k93 h ALA 128 Ca 0.02 -0.34 -0.58 0.00 0.00 0.00 0.00 54.91 54.01 1k93 h ALA 128 Cb 0.47 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.26 1k93 h ALA 128 CO -0.27 0.54 0.43 -3.47 0.00 0.00 0.00 179.25 176.47 1k93 n ASP 129 N -4.12 2.46 0.00 0.00 -0.08 0.13 -4.85 116.55 110.09 1k93 n ASP 129 Ca -0.01 1.20 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1k93 n ASP 129 Cb 0.40 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1k93 n ASP 129 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1k93 n ILE 130 N 0.31 0.00 -0.38 5.18 5.41 -1.26 -4.72 119.36 123.90 1k93 n ILE 130 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.87 1k93 n ILE 130 Cb 0.35 -0.79 0.18 0.00 -0.71 0.00 0.00 39.64 38.67 1k93 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k93 n ASP 131 N -1.91 3.15 -2.37 4.38 5.68 -1.26 -4.99 116.55 119.23 1k93 n ASP 131 Ca 0.00 -2.26 -0.19 0.00 -0.50 0.00 0.00 54.79 51.84 1k93 n ASP 131 Cb 0.43 -0.31 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 1k93 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k93 n GLY 132 N 0.24 -0.40 0.01 6.12 0.00 -1.26 -4.88 105.19 105.03 1k93 n GLY 132 Ca 0.14 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1k93 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1k93 n ASP 133 N -1.77 0.07 0.00 1.61 5.75 -1.26 -4.87 116.55 116.08 1k93 n ASP 133 Ca -0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1k93 n ASP 133 Cb 0.64 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1k93 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k93 n GLY 134 N 1.34 0.60 3.30 6.12 0.00 -1.26 -5.00 105.19 110.29 1k93 n GLY 134 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1k93 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k93 s GLN 135 N -0.05 1.46 -0.18 1.61 -2.07 -1.26 -4.72 119.66 114.45 1k93 s GLN 135 Ca 0.00 -1.70 0.01 0.00 -1.82 0.00 0.00 55.36 51.85 1k93 s GLN 135 Cb 0.00 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.27 1k93 s GLN 135 CO 0.00 -0.53 -0.15 0.08 -1.32 0.00 0.00 175.29 173.37 1k93 s VAL 136 N -3.84 1.81 0.62 3.63 1.01 -0.44 -4.69 120.40 118.50 1k93 s VAL 136 Ca 0.37 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1k93 s VAL 136 Cb 0.04 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1k93 s VAL 136 CO 0.17 0.39 0.88 0.54 0.00 0.00 0.00 175.10 177.07 1k93 s ASN 137 N 1.37 5.03 0.19 3.32 2.20 -1.26 -0.03 114.94 125.76 1k93 s ASN 137 Ca 0.03 0.12 -0.13 0.00 -0.94 0.00 0.00 52.86 51.94 1k93 s ASN 137 Cb -0.14 -0.89 0.20 0.00 -2.00 0.00 0.00 41.25 38.43 1k93 s ASN 137 CO -0.11 -1.36 1.68 0.22 -2.94 0.00 0.00 177.10 174.60 1k93 h TYR 138 N -0.21 -0.01 -0.65 1.54 3.20 -1.99 -0.32 116.97 118.53 1k93 h TYR 138 Ca -0.42 0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.62 1k93 h TYR 138 Cb 1.30 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.55 1k93 h TYR 138 CO 0.31 -0.11 0.08 0.93 -1.64 0.00 0.00 178.16 177.73 1k93 h GLU 139 N 0.13 0.19 0.40 1.82 3.07 -1.96 0.37 114.58 118.60 1k93 h GLU 139 Ca 0.26 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1k93 h GLU 139 Cb 0.39 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1k93 h GLU 139 CO -0.42 0.12 -0.19 0.93 -1.40 0.00 0.00 179.01 178.05 1k93 h GLU 140 N 0.19 -0.52 -1.15 2.33 5.08 -1.78 -1.92 114.58 116.81 1k93 h GLU 140 Ca 0.35 0.04 0.35 0.00 -1.00 0.00 0.00 59.36 59.09 1k93 h GLU 140 Cb 0.56 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.81 1k93 h GLU 140 CO -0.49 -0.21 0.72 0.35 -1.00 0.00 0.00 179.01 178.38 1k93 h PHE 141 N -0.86 0.66 0.16 4.33 3.57 -0.31 0.34 116.94 124.83 1k93 h PHE 141 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1k93 h PHE 141 Cb 0.55 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1k93 h PHE 141 CO 0.02 -0.11 -0.08 0.28 -2.23 0.00 0.00 178.31 176.19 1k93 h VAL 142 N 0.24 0.94 0.20 1.41 2.07 0.10 -2.10 116.25 119.13 1k93 h VAL 142 Ca 0.72 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1k93 h VAL 142 Cb 2.00 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1k93 h VAL 142 CO -0.42 0.12 -0.29 1.56 0.02 0.00 0.00 177.57 178.56 1k93 h GLN 143 N -0.45 -0.50 -0.49 1.57 1.08 0.36 1.55 115.11 118.22 1k93 h GLN 143 Ca -0.02 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 1k93 h GLN 143 Cb 0.35 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1k93 h GLN 143 CO 0.04 -0.33 0.91 1.98 -0.95 0.00 0.00 178.83 180.47 1k93 h MET 144 N -0.52 0.00 0.00 1.46 4.05 -1.03 0.15 114.93 119.05 1k93 h MET 144 Ca -0.02 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.11 1k93 h MET 144 Cb 0.47 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.22 1k93 h MET 144 CO -0.08 0.00 -2.09 -0.12 0.23 0.00 0.00 176.91 174.85 1k93 n MET 145 N -3.06 0.93 -0.26 0.39 0.00 -0.46 -4.44 117.12 110.22 1k93 n MET 145 Ca 0.11 0.06 0.04 0.00 -0.00 0.00 0.00 57.70 57.91 1k93 n MET 145 Cb 1.07 -1.39 0.14 0.00 0.00 0.00 0.00 33.22 33.03 1k93 n MET 145 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1k93 h THR 146 N 0.00 0.31 -0.00 1.12 2.02 0.51 -3.51 112.91 113.35 1k93 h THR 146 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1k93 h THR 146 Cb 1.79 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1k93 h THR 146 CO -0.03 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.87