#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k93 h GLU 6 N 0.00 0.28 0.14 -0.78 5.08 -2.04 0.19 114.58 117.45 1k93 h GLU 6 Ca 0.00 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.07 1k93 h GLU 6 Cb 0.00 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.21 1k93 h GLU 6 CO 0.00 0.19 -1.15 0.93 -1.00 0.00 0.00 179.01 177.97 1k93 h GLU 7 N 0.29 0.54 -0.80 2.33 5.08 -2.05 0.32 114.58 120.30 1k93 h GLU 7 Ca 0.42 -0.76 0.19 0.00 -1.00 0.00 0.00 59.36 58.20 1k93 h GLU 7 Cb 1.18 0.26 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 1k93 h GLU 7 CO -0.11 1.34 0.09 1.96 -1.00 0.00 0.00 179.01 181.29 1k93 h GLN 8 N 0.11 0.14 0.12 2.33 1.08 -1.13 0.67 115.11 118.44 1k93 h GLN 8 Ca -0.18 -0.01 -0.28 0.00 -1.45 0.00 0.00 58.65 56.73 1k93 h GLN 8 Cb 1.86 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 1k93 h GLN 8 CO 0.22 0.09 -1.28 0.82 -0.95 0.00 0.00 178.83 177.74 1k93 h ILE 9 N 0.15 1.46 -0.69 2.54 2.04 -1.23 -3.29 117.51 118.49 1k93 h ILE 9 Ca 0.46 -3.04 0.05 0.00 1.00 0.00 0.00 64.86 63.33 1k93 h ILE 9 Cb 0.85 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.81 1k93 h ILE 9 CO -0.66 0.88 0.45 0.00 0.00 0.00 0.00 178.15 178.83 1k93 h ALA 10 N 0.58 1.68 0.00 1.87 0.00 0.38 -1.56 119.26 122.21 1k93 h ALA 10 Ca -0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k93 h ALA 10 Cb 1.98 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1k93 h ALA 10 CO 0.20 0.22 -0.00 0.93 0.00 0.00 0.00 179.25 180.60 1k93 h GLU 11 N 0.75 -0.00 0.66 0.00 5.08 0.03 -1.08 114.58 120.02 1k93 h GLU 11 Ca 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1k93 h GLU 11 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1k93 h GLU 11 CO -0.09 0.50 -0.39 0.74 -1.00 0.00 0.00 179.01 178.78 1k93 h PHE 12 N -0.51 -1.03 -0.00 4.33 0.04 -1.58 -0.97 116.94 117.22 1k93 h PHE 12 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1k93 h PHE 12 Cb 0.51 0.36 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 1k93 h PHE 12 CO 0.10 -0.60 0.13 -0.22 -0.60 0.00 0.00 178.31 177.13 1k93 h LYS 13 N -0.99 0.00 -0.05 1.51 3.64 -1.37 -1.07 116.57 118.24 1k93 h LYS 13 Ca -0.08 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.12 1k93 h LYS 13 Cb 0.79 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1k93 h LYS 13 CO 0.10 0.00 -0.67 1.49 -2.27 0.00 0.00 179.45 178.10 1k93 h GLU 14 N 0.00 0.55 -0.18 1.90 4.22 0.10 -3.29 114.58 117.88 1k93 h GLU 14 Ca 0.00 -0.52 -0.15 0.00 0.08 0.00 0.00 59.36 58.78 1k93 h GLU 14 Cb 0.26 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1k93 h GLU 14 CO -0.00 1.15 -0.50 0.00 -2.18 0.00 0.00 179.01 177.47 1k93 h ALA 15 N 0.41 0.80 -1.20 2.92 0.00 -0.30 -3.22 119.26 118.68 1k93 h ALA 15 Ca -0.07 -0.49 0.34 0.00 0.00 0.00 0.00 54.91 54.70 1k93 h ALA 15 Cb 1.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1k93 h ALA 15 CO 0.13 0.67 0.82 0.35 0.00 0.00 0.00 179.25 181.23 1k93 h PHE 16 N 0.38 0.27 -0.02 0.00 3.57 -1.52 0.18 116.94 119.81 1k93 h PHE 16 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k93 h PHE 16 Cb 1.01 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1k93 h PHE 16 CO 0.04 -0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.54 1k93 n SER 17 N -4.37 0.51 0.03 0.41 7.64 -1.22 -3.85 113.62 112.77 1k93 n SER 17 Ca 0.28 -1.24 0.01 0.00 1.01 0.00 0.00 58.87 58.93 1k93 n SER 17 Cb 1.19 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 64.30 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 -0.57 0.77 -3.07 -3.43 4.77 0.63 -4.75 117.00 111.35 1k93 n LEU 18 Ca 0.21 0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 1k93 n LEU 18 Cb 0.18 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1k93 n LEU 18 CO 0.16 0.14 -0.16 0.33 -1.33 0.00 0.00 177.39 176.54 1k93 n PHE 19 N -2.84 -1.28 -3.65 -1.77 -0.00 -1.25 -5.06 117.46 101.61 1k93 n PHE 19 Ca -0.10 -3.01 -0.24 0.00 -0.00 0.00 0.00 57.45 54.10 1k93 n PHE 19 Cb 0.83 0.24 -0.17 0.00 -0.00 0.00 0.00 39.48 40.37 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 -1.22 1.91 -0.77 -2.13 3.68 -1.26 -4.95 116.67 111.93 1k93 s ASP 20 Ca 0.34 -0.35 -0.02 0.00 2.13 0.00 0.00 52.55 54.65 1k93 s ASP 20 Cb 0.18 -0.25 0.37 0.00 -1.45 0.00 0.00 42.92 41.77 1k93 s ASP 20 CO -0.15 -0.30 2.06 1.17 0.13 0.00 0.00 175.17 178.08 1k93 n LYS 21 N 5.26 2.70 0.00 4.34 0.00 -1.26 -4.19 118.16 125.01 1k93 n LYS 21 Ca -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 58.31 54.88 1k93 n LYS 21 Cb 0.49 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.26 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 -0.60 2.08 0.00 3.14 4.64 -1.26 -5.04 116.55 119.51 1k93 n ASP 22 Ca 0.56 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.97 1k93 n ASP 22 Cb 0.39 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.47 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 3.02 3.05 1.59 0.27 0.00 -1.26 -4.84 105.19 107.01 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 4.71 -3.76 1.61 8.00 -1.26 -4.93 116.55 120.92 1k93 n ASP 24 Ca 0.00 -2.61 -0.27 0.00 0.71 0.00 0.00 54.79 52.62 1k93 n ASP 24 Cb 0.00 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 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 0.78 -0.58 2.26 0.44 0.00 -1.26 -4.93 105.19 101.90 1k93 n GLY 25 Ca 0.23 0.28 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.25 -0.36 -0.99 2.61 -2.24 -1.24 -3.69 114.28 104.11 1k93 n THR 26 Ca -0.21 -3.97 -0.29 0.00 -2.27 0.00 0.00 64.05 57.31 1k93 n THR 26 Cb 0.64 -0.73 0.20 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.56 2.09 0.48 2.28 -4.36 0.12 -4.25 121.20 115.99 1k93 s ILE 27 Ca 0.36 0.03 0.07 0.00 -0.26 0.00 0.00 60.65 60.85 1k93 s ILE 27 Cb 0.27 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.62 1k93 s ILE 27 CO -0.10 -0.04 0.65 0.42 0.24 0.00 0.00 174.94 176.12 1k93 s THR 28 N -2.82 2.78 -1.82 8.37 -4.23 -1.26 0.22 115.64 116.88 1k93 s THR 28 Ca 0.66 -0.93 0.26 0.00 -1.18 0.00 0.00 61.69 60.50 1k93 s THR 28 Cb -0.20 -2.85 0.64 0.00 1.34 0.00 0.00 72.50 71.44 1k93 s THR 28 CO 0.60 0.00 1.89 0.41 -0.54 0.00 0.00 174.62 176.97 1k93 n THR 29 N -2.03 0.07 0.05 3.99 -1.04 -1.16 -2.19 114.28 111.96 1k93 n THR 29 Ca 0.09 0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 62.02 1k93 n THR 29 Cb 0.60 -0.61 0.02 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.43 -0.01 -2.82 1.57 -1.93 -3.26 116.57 110.55 1k93 h LYS 30 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1k93 h LYS 30 Cb 0.07 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1k93 h LYS 30 CO 0.00 1.00 -0.48 -0.85 -0.57 0.00 0.00 179.45 178.55 1k93 n GLU 31 N -3.84 1.57 -0.32 3.15 0.28 -1.01 -4.45 120.64 116.01 1k93 n GLU 31 Ca -0.05 -0.62 0.09 0.00 -0.16 0.00 0.00 57.16 56.42 1k93 n GLU 31 Cb 0.72 -1.31 0.25 0.00 1.43 0.00 0.00 31.44 32.53 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 1.40 0.68 -0.60 -1.84 5.85 -1.48 0.33 115.31 119.66 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 0.54 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1k93 h LEU 32 CO 0.00 0.29 -0.70 1.23 -0.34 0.00 0.00 178.44 178.93 1k93 h GLY 33 N 0.74 0.03 1.11 3.75 0.00 -1.78 -1.72 103.07 105.20 1k93 h GLY 33 Ca 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1k93 h GLY 33 CO -0.35 0.03 0.23 -0.84 0.00 0.00 0.00 176.54 175.61 1k93 h THR 34 N 0.02 1.26 0.07 4.70 2.02 -0.69 -2.46 112.91 117.82 1k93 h THR 34 Ca -0.01 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1k93 h THR 34 Cb 1.23 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1k93 h THR 34 CO 0.09 0.35 -0.03 0.58 0.37 0.00 0.00 175.52 176.88 1k93 h VAL 35 N 1.07 1.16 -0.14 3.16 2.07 -0.79 -2.57 116.25 120.22 1k93 h VAL 35 Ca 0.23 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1k93 h VAL 35 Cb 0.30 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1k93 h VAL 35 CO -0.01 0.34 0.29 0.24 0.02 0.00 0.00 177.57 178.45 1k93 h MET 36 N -0.85 0.00 0.08 1.57 2.86 -1.33 -1.85 114.93 115.42 1k93 h MET 36 Ca -0.01 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.30 1k93 h MET 36 Cb 0.62 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1k93 h MET 36 CO 0.02 0.00 -1.83 0.54 1.06 0.00 0.00 176.91 176.69 1k93 n ARG 37 N -3.31 0.69 0.00 1.72 1.74 -0.93 -1.24 116.66 115.34 1k93 n ARG 37 Ca 0.01 0.35 0.05 0.00 -0.77 0.00 0.00 57.85 57.48 1k93 n ARG 37 Cb 0.39 -1.70 0.21 0.00 -1.02 0.00 0.00 32.46 30.34 1k93 n ARG 37 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1k93 n SER 38 N -3.77 0.00 -1.31 0.55 2.88 -0.95 -1.46 113.62 109.56 1k93 n SER 38 Ca -0.34 0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 57.59 1k93 n SER 38 Cb 0.93 -0.44 0.24 0.00 -0.75 0.00 0.00 64.21 64.20 1k93 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1k93 n LEU 39 N -1.44 4.63 -0.96 2.46 7.94 -0.74 -4.97 117.00 123.92 1k93 n LEU 39 Ca 0.03 -3.38 -0.04 0.00 -1.11 0.00 0.00 56.01 51.51 1k93 n LEU 39 Cb 0.10 -0.64 0.01 0.00 0.53 0.00 0.00 43.42 43.42 1k93 n LEU 39 CO 0.08 0.94 0.03 0.61 -1.11 0.00 0.00 177.39 177.95 1k93 n GLY 40 N -0.72 0.61 3.14 -3.96 0.00 -0.53 -5.00 105.19 98.73 1k93 n GLY 40 Ca 0.32 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.07 0.39 -0.61 1.61 -0.21 -0.37 -5.00 119.66 110.39 1k93 s GLN 41 Ca 0.09 0.09 0.05 0.00 0.02 0.00 0.00 55.36 55.61 1k93 s GLN 41 Cb -0.04 0.18 0.20 0.00 1.00 0.00 0.00 33.01 34.35 1k93 s GLN 41 CO 0.11 -0.08 0.56 0.09 -2.12 0.00 0.00 175.29 173.86 1k93 n ASN 42 N 2.34 2.50 -4.77 5.90 3.02 -1.26 -3.03 115.26 119.96 1k93 n ASN 42 Ca -0.16 -3.12 -0.34 0.00 -0.03 0.00 0.00 54.58 50.92 1k93 n ASN 42 Cb 0.57 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.57 3.07 0.17 3.52 0.04 -1.26 -5.04 135.00 133.94 1k93 s PRO 43 Ca 0.32 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 1k93 s PRO 43 Cb 0.05 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1k93 s PRO 43 CO -0.12 -1.06 0.56 0.95 0.04 0.00 0.00 177.00 177.38 1k93 s THR 44 N -2.07 4.86 0.53 1.26 -4.23 -1.26 -4.95 115.64 109.77 1k93 s THR 44 Ca 0.70 0.76 0.32 0.00 -1.18 0.00 0.00 61.69 62.29 1k93 s THR 44 Cb -0.22 -3.71 0.50 0.00 1.34 0.00 0.00 72.50 70.41 1k93 s THR 44 CO 0.35 0.16 1.85 -0.33 -0.54 0.00 0.00 174.62 176.10 1k93 h GLU 45 N 3.28 0.04 -0.37 3.99 4.39 -1.99 0.19 114.58 124.11 1k93 h GLU 45 Ca -0.48 -0.00 -0.13 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 0.03 -0.31 0.00 -1.16 0.00 0.00 179.01 178.23 1k93 h ALA 46 N 1.51 0.76 -0.14 3.43 0.00 -2.01 -3.12 119.26 119.69 1k93 h ALA 46 Ca 0.49 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1k93 h ALA 46 Cb 1.87 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1k93 h ALA 46 CO -0.03 0.65 -0.74 0.93 0.00 0.00 0.00 179.25 180.07 1k93 h GLU 47 N 0.68 0.67 0.00 0.00 5.08 -1.04 -2.54 114.58 117.43 1k93 h GLU 47 Ca 0.08 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1k93 h GLU 47 Cb 0.85 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1k93 h GLU 47 CO 0.07 1.15 0.00 1.28 -1.00 0.00 0.00 179.01 180.51 1k93 n LEU 48 N -3.91 0.62 -0.12 1.33 4.77 -0.81 -3.00 117.00 115.88 1k93 n LEU 48 Ca -0.06 0.74 -0.24 0.00 -0.03 0.00 0.00 56.01 56.41 1k93 n LEU 48 Cb 0.72 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1k93 n LEU 48 CO 0.51 -0.83 -1.15 0.00 -1.33 0.00 0.00 177.39 174.58 1k93 n GLN 49 N -2.28 0.57 0.28 3.23 1.13 -1.10 -3.79 117.38 115.42 1k93 n GLN 49 Ca -0.00 0.31 0.13 0.00 -1.94 0.00 0.00 57.00 55.50 1k93 n GLN 49 Cb 0.10 -1.53 0.80 0.00 0.11 0.00 0.00 30.24 29.73 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 -1.50 -3.02 116.42 115.03 1k93 h ASP 50 Ca -0.52 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.23 1k93 h ASP 50 Cb 1.43 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.72 1k93 h ASP 50 CO -0.31 0.07 -0.25 0.24 -2.04 0.00 0.00 179.24 176.94 1k93 h MET 51 N 0.00 0.00 -0.00 4.15 2.86 -1.77 -3.29 114.93 116.88 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 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1k93 h MET 51 CO 0.01 0.68 0.00 1.51 1.06 0.00 0.00 176.91 180.17 1k93 n ILE 52 N -4.62 0.00 -0.05 -1.22 0.13 -1.17 -1.95 119.36 110.49 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 -0.41 -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 -0.49 3.12 0.01 9.51 5.15 -1.15 -4.26 115.26 127.16 1k93 n ASN 53 Ca 0.00 -0.04 -0.01 0.00 -0.60 0.00 0.00 54.58 53.93 1k93 n ASN 53 Cb 0.00 0.11 -0.00 0.00 -0.53 0.00 0.00 39.78 39.35 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 -0.06 0.12 1.20 4.81 -1.46 -3.27 114.58 115.93 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 -0.04 -0.06 -0.24 -0.73 0.00 0.00 179.01 177.92 1k93 h VAL 55 N -0.31 0.90 -1.45 0.32 3.04 -1.86 -3.20 116.25 113.69 1k93 h VAL 55 Ca -0.01 -0.09 -0.76 0.00 -1.01 0.00 0.00 66.70 64.84 1k93 h VAL 55 Cb 0.05 0.96 -0.16 0.00 -2.01 0.00 0.00 31.29 30.12 1k93 h VAL 55 CO 0.01 0.02 2.05 -0.67 -1.01 0.00 0.00 177.57 177.97 1k93 n ASP 56 N -5.14 6.88 -1.17 3.17 4.64 -1.26 -4.59 116.55 119.07 1k93 n ASP 56 Ca -0.08 -3.20 0.05 0.00 -1.38 0.00 0.00 54.79 50.18 1k93 n ASP 56 Cb 0.11 -1.38 0.22 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 2.26 3.09 -0.14 -1.67 0.00 -1.21 -4.32 120.51 118.52 1k93 n ALA 57 Ca 0.51 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1k93 n ALA 57 Cb 0.29 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.73 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 2.29 0.25 0.00 0.00 3.58 -1.89 -3.47 116.42 117.18 1k93 h ASP 58 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1k93 h ASP 58 Cb 1.16 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1k93 h ASP 58 CO 0.22 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.37 1k93 n GLY 59 N -1.24 0.99 0.33 -0.78 0.00 -1.26 -4.97 105.19 98.27 1k93 n GLY 59 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.01 2.13 0.00 1.61 4.13 -1.26 -5.03 115.26 116.85 1k93 n ASN 60 Ca 0.00 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.29 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 2.75 0.57 3.63 7.41 0.00 -1.26 -5.05 105.19 113.24 1k93 n GLY 61 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 5.02 -0.16 2.61 -4.23 -1.26 -3.00 115.64 112.31 1k93 s THR 62 Ca 0.00 1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 61.52 1k93 s THR 62 Cb 0.00 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 1k93 s THR 62 CO 0.00 0.06 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.49 1k93 s ILE 63 N 2.32 4.05 0.00 2.99 1.09 0.60 -4.88 121.20 127.38 1k93 s ILE 63 Ca 0.25 -0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.50 1k93 s ILE 63 Cb -0.16 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1k93 s ILE 63 CO 0.09 0.49 0.00 -0.90 -0.10 0.00 0.00 174.94 174.52 1k93 n ASP 64 N 3.54 0.95 0.29 3.58 5.68 -1.25 0.10 116.55 129.44 1k93 n ASP 64 Ca -0.17 -0.26 -0.12 0.00 -0.50 0.00 0.00 54.79 53.74 1k93 n ASP 64 Cb 0.52 0.00 -0.06 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 0.12 -0.71 -1.01 2.11 -1.00 -1.92 -1.19 116.94 113.33 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 0.24 -0.16 0.00 3.61 0.00 0.00 35.95 39.64 1k93 h PHE 65 CO 0.00 -0.44 0.57 -1.35 -1.61 0.00 0.00 178.31 175.48 1k93 h PRO 66 N -1.09 0.21 0.19 1.51 0.11 -1.97 0.96 132.00 131.92 1k93 h PRO 66 Ca -0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1k93 h PRO 66 Cb 0.59 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1k93 h PRO 66 CO 0.13 0.14 -0.09 0.93 -0.21 0.00 0.00 178.00 178.90 1k93 h GLU 67 N 0.22 -0.24 -0.59 1.05 5.08 -1.96 -2.68 114.58 115.46 1k93 h GLU 67 Ca 0.77 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1k93 h GLU 67 Cb 1.89 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1k93 h GLU 67 CO -0.65 0.15 0.37 0.35 -1.00 0.00 0.00 179.01 178.23 1k93 h PHE 68 N -0.90 0.76 -0.38 4.33 3.57 0.11 -1.75 116.94 122.69 1k93 h PHE 68 Ca -0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1k93 h PHE 68 Cb 0.50 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1k93 h PHE 68 CO 0.07 0.51 0.17 -0.07 -2.23 0.00 0.00 178.31 176.76 1k93 h LEU 69 N 0.80 0.24 -1.25 0.59 3.38 0.79 -1.61 115.31 118.23 1k93 h LEU 69 Ca 0.21 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1k93 h LEU 69 Cb -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1k93 h LEU 69 CO -0.04 0.18 -0.10 0.74 0.09 0.00 0.00 178.44 179.31 1k93 h THR 70 N 0.36 1.20 0.32 0.22 2.02 -1.18 0.59 112.91 116.44 1k93 h THR 70 Ca 0.16 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1k93 h THR 70 Cb 0.09 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1k93 h THR 70 CO -0.13 0.28 -0.15 0.24 0.37 0.00 0.00 175.52 176.13 1k93 h MET 71 N 0.37 -0.42 -0.07 6.66 2.86 -0.76 -2.01 114.93 121.56 1k93 h MET 71 Ca 0.08 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1k93 h MET 71 Cb 0.40 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1k93 h MET 71 CO 0.02 -0.12 0.06 0.52 1.06 0.00 0.00 176.91 178.45 1k93 h MET 72 N -0.70 0.00 -2.39 1.72 2.86 -1.18 -2.85 114.93 112.38 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 0.49 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1k93 h MET 72 CO 0.07 0.00 0.03 0.00 1.06 0.00 0.00 176.91 178.07 1k93 n ALA 73 N -2.42 3.59 0.14 6.32 0.00 0.19 -2.61 120.51 125.71 1k93 n ALA 73 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1k93 n ALA 73 Cb 0.17 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 2.55 0.00 -0.02 0.00 3.00 -1.08 -4.95 116.66 116.17 1k93 n ARG 74 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.93 1k93 n ARG 74 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.86 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 -0.32 -2.28 -0.14 3.11 -1.59 -2.87 116.57 112.48 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 31.30 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 0.35 -0.09 1.90 2.81 -1.19 -3.63 117.12 111.88 1k93 n MET 76 Ca -0.02 -0.10 -0.17 0.00 -1.81 0.00 0.00 57.70 55.60 1k93 n MET 76 Cb 0.31 -1.47 -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 2.24 0.42 -0.09 0.03 3.00 -1.09 -4.56 118.16 118.12 1k93 n LYS 77 Ca 0.04 0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 58.44 1k93 n LYS 77 Cb 0.17 -1.22 -0.14 0.00 0.00 0.00 0.00 35.03 33.84 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 -4.02 0.73 0.24 3.14 -0.08 -1.24 -4.43 116.55 110.89 1k93 n ASP 78 Ca -0.31 -0.01 0.08 0.00 -1.51 0.00 0.00 54.79 53.04 1k93 n ASP 78 Cb 0.65 0.82 0.60 0.00 2.34 0.00 0.00 41.12 45.53 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 0.93 0.00 5.18 1.03 -1.87 -3.01 112.91 115.16 1k93 h THR 79 Ca -0.49 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1k93 h THR 79 Cb 2.08 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1k93 h THR 79 CO 0.02 0.14 0.04 -0.67 -0.01 0.00 0.00 175.52 175.04 1k93 n ASP 80 N -4.11 0.00 0.00 0.00 2.03 -1.26 -3.19 116.55 110.02 1k93 n ASP 80 Ca -0.02 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1k93 n ASP 80 Cb 0.22 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.05 0.00 -0.24 1.67 7.64 -1.14 -3.38 113.62 117.12 1k93 n SER 81 Ca 0.00 0.06 0.23 0.00 1.01 0.00 0.00 58.87 60.17 1k93 n SER 81 Cb 0.04 -0.06 0.42 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.92 -0.05 0.03 1.43 2.13 -1.19 0.69 120.64 122.75 1k93 n GLU 82 Ca 0.00 1.05 -0.10 0.00 0.66 0.00 0.00 57.16 58.76 1k93 n GLU 82 Cb 0.03 -1.86 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 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 -0.33 -0.57 5.31 4.39 -1.92 0.50 114.58 121.97 1k93 h GLU 83 Ca 0.62 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.32 1k93 h GLU 83 Cb 1.62 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.32 1k93 h GLU 83 CO -0.59 -0.22 0.25 0.93 -1.16 0.00 0.00 179.01 178.22 1k93 h GLU 84 N -0.34 0.81 0.07 2.33 3.07 -0.06 -1.20 114.58 119.26 1k93 h GLU 84 Ca 0.08 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1k93 h GLU 84 Cb 0.46 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1k93 h GLU 84 CO -0.26 0.65 -0.03 0.82 -1.40 0.00 0.00 179.01 178.78 1k93 h ILE 85 N 0.80 1.00 -0.72 3.13 2.04 -0.99 0.31 117.51 123.08 1k93 h ILE 85 Ca 0.20 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1k93 h ILE 85 Cb 0.12 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1k93 h ILE 85 CO -0.02 0.06 0.47 -0.09 0.00 0.00 0.00 178.15 178.57 1k93 h ARG 86 N -0.19 0.79 -0.24 2.37 2.43 -0.60 0.22 114.38 119.16 1k93 h ARG 86 Ca -0.01 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1k93 h ARG 86 Cb 0.17 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1k93 h ARG 86 CO 0.02 0.52 -0.55 0.93 -1.51 0.00 0.00 179.97 179.38 1k93 h GLU 87 N 0.81 0.71 0.21 0.20 5.08 -0.79 -2.91 114.58 117.89 1k93 h GLU 87 Ca 0.30 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1k93 h GLU 87 Cb 0.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1k93 h GLU 87 CO -0.09 1.07 -0.10 0.00 -1.00 0.00 0.00 179.01 178.88 1k93 h ALA 88 N 0.84 -0.29 -0.70 3.43 0.00 0.13 -2.35 119.26 120.33 1k93 h ALA 88 Ca 0.01 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1k93 h ALA 88 Cb 1.12 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1k93 h ALA 88 CO 0.11 -0.64 -0.22 0.35 0.00 0.00 0.00 179.25 178.85 1k93 h PHE 89 N -0.32 -0.50 -0.09 0.00 3.57 -0.62 0.43 116.94 119.41 1k93 h PHE 89 Ca -0.03 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1k93 h PHE 89 Cb 0.25 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1k93 h PHE 89 CO -0.05 -0.33 0.08 0.00 -2.23 0.00 0.00 178.31 175.78 1k93 h ARG 90 N -0.03 0.00 -0.30 1.11 3.08 -1.25 -1.26 114.38 115.73 1k93 h ARG 90 Ca 0.33 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 1k93 h ARG 90 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1k93 h ARG 90 CO -0.74 0.00 -0.12 0.28 -1.07 0.00 0.00 179.97 178.32 1k93 h VAL 91 N 0.00 1.29 -0.10 2.04 2.07 0.36 -3.24 116.25 118.67 1k93 h VAL 91 Ca 0.04 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1k93 h VAL 91 Cb 0.21 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1k93 h VAL 91 CO -0.00 0.38 0.02 -0.26 0.02 0.00 0.00 177.57 177.73 1k93 h PHE 92 N 0.36 0.18 0.00 1.57 -1.00 -0.95 -3.36 116.94 113.73 1k93 h PHE 92 Ca 0.07 -0.02 -0.42 0.00 2.81 0.00 0.00 57.97 60.40 1k93 h PHE 92 Cb 0.63 -0.05 0.08 0.00 3.61 0.00 0.00 35.95 40.22 1k93 h PHE 92 CO 0.06 0.35 1.60 -3.47 -1.61 0.00 0.00 178.31 175.24 1k93 n ASP 93 N -4.86 1.48 0.18 2.17 2.03 -0.71 -4.75 116.55 112.09 1k93 n ASP 93 Ca -0.06 -2.38 0.18 0.00 0.52 0.00 0.00 54.79 53.05 1k93 n ASP 93 Cb 0.16 -0.69 0.77 0.00 -0.72 0.00 0.00 41.12 40.64 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 8.64 0.00 -0.01 -0.67 1.57 -1.80 -1.73 116.57 122.56 1k93 h LYS 94 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1k93 h LYS 94 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1k93 h LYS 94 CO 1.69 0.00 -0.25 -0.40 -0.57 0.00 0.00 179.45 179.92 1k93 n ASP 95 N -3.41 1.90 -3.39 0.86 5.75 -1.26 -5.00 116.55 112.00 1k93 n ASP 95 Ca 0.04 -1.45 -0.21 0.00 -0.01 0.00 0.00 54.79 53.15 1k93 n ASP 95 Cb 0.53 0.33 0.08 0.00 -1.03 0.00 0.00 41.12 41.03 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 1.13 -0.43 0.01 6.12 0.00 -0.65 -4.89 105.19 106.47 1k93 n GLY 96 Ca 0.08 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.78 0.62 0.00 1.61 6.94 -1.26 -4.94 115.26 115.45 1k93 n ASN 97 Ca -0.03 -0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.18 1k93 n ASN 97 Cb 0.57 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.46 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 1.46 0.64 3.27 4.83 0.00 -1.26 -5.06 105.19 109.07 1k93 n GLY 98 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.37 1.64 -0.28 1.61 1.51 -1.26 -4.20 117.35 113.99 1k93 s TYR 99 Ca 0.00 -0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 1k93 s TYR 99 Cb 0.00 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1k93 s TYR 99 CO 0.00 0.20 0.18 0.42 -1.11 0.00 0.00 175.55 175.23 1k93 s ILE 100 N -1.51 5.15 0.28 2.71 1.01 0.12 -4.69 121.20 124.27 1k93 s ILE 100 Ca 0.07 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.84 1k93 s ILE 100 Cb -0.08 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1k93 s ILE 100 CO 0.04 0.22 0.37 -0.94 0.00 0.00 0.00 174.94 174.63 1k93 s SER 101 N 1.73 6.02 0.14 3.58 1.04 -1.26 -1.34 113.70 123.61 1k93 s SER 101 Ca 0.07 -0.10 -0.21 0.00 0.48 0.00 0.00 55.95 56.19 1k93 s SER 101 Cb -0.16 -1.53 -0.00 0.00 0.10 0.00 0.00 66.02 64.43 1k93 s SER 101 CO 0.10 -0.20 1.67 0.00 0.98 0.00 0.00 173.24 175.79 1k93 h ALA 102 N 1.13 0.01 -0.52 5.32 0.00 -1.94 0.18 119.26 123.45 1k93 h ALA 102 Ca -0.49 0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1k93 h ALA 102 Cb 1.24 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 1k93 h ALA 102 CO 0.58 -0.56 -0.24 0.00 0.00 0.00 0.00 179.25 179.03 1k93 h ALA 103 N 1.01 0.13 -0.86 0.00 0.00 -1.98 0.21 119.26 117.77 1k93 h ALA 103 Ca 0.11 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1k93 h ALA 103 Cb 0.30 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1k93 h ALA 103 CO -0.27 -0.57 0.56 0.93 0.00 0.00 0.00 179.25 179.90 1k93 h GLU 104 N -0.12 1.14 -0.60 0.00 5.08 -1.69 -1.29 114.58 117.11 1k93 h GLU 104 Ca 0.24 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1k93 h GLU 104 Cb 0.49 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1k93 h GLU 104 CO -0.59 0.76 0.17 1.25 -1.00 0.00 0.00 179.01 179.60 1k93 h LEU 105 N 1.17 0.86 -0.01 1.33 6.46 0.11 -2.47 115.31 122.76 1k93 h LEU 105 Ca 0.32 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1k93 h LEU 105 Cb -0.12 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.55 1k93 h LEU 105 CO -0.07 0.82 -0.14 -0.09 -0.62 0.00 0.00 178.44 178.34 1k93 h ARG 106 N 0.89 -0.22 0.16 1.25 2.43 0.46 -2.06 114.38 117.28 1k93 h ARG 106 Ca 0.20 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1k93 h ARG 106 Cb 0.28 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1k93 h ARG 106 CO -0.01 -0.15 -0.38 0.45 -1.51 0.00 0.00 179.97 178.38 1k93 h HIS 107 N -0.23 -1.05 -0.95 2.20 3.86 -1.01 0.51 115.15 118.47 1k93 h HIS 107 Ca 0.05 0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.46 1k93 h HIS 107 Cb 0.30 0.44 -0.08 0.00 1.06 0.00 0.00 27.41 29.13 1k93 h HIS 107 CO -0.20 -0.49 0.60 0.28 0.86 0.00 0.00 177.93 178.98 1k93 h VAL 108 N -0.64 0.75 0.36 2.45 2.07 -1.37 -1.39 116.25 118.48 1k93 h VAL 108 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1k93 h VAL 108 Cb 0.65 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1k93 h VAL 108 CO -0.20 0.12 -0.17 0.24 0.02 0.00 0.00 177.57 177.58 1k93 h MET 109 N 0.67 -0.47 -0.22 1.57 2.07 -0.53 -2.52 114.93 115.50 1k93 h MET 109 Ca 0.51 0.03 0.06 0.00 -2.07 0.00 0.00 59.70 58.23 1k93 h MET 109 Cb 0.90 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.72 1k93 h MET 109 CO -0.27 -0.28 0.23 1.79 1.07 0.00 0.00 176.91 179.46 1k93 h THR 110 N -1.11 0.47 0.00 2.22 1.35 0.13 0.24 112.91 116.21 1k93 h THR 110 Ca -0.05 0.00 -0.15 0.00 -0.55 0.00 0.00 66.41 65.66 1k93 h THR 110 Cb 0.40 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1k93 h THR 110 CO 0.08 0.00 -0.86 0.78 -0.25 0.00 0.00 175.52 175.27 1k93 h ASN 111 N 0.00 0.00 -0.32 5.36 2.35 -1.30 -3.20 115.58 118.47 1k93 h ASN 111 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1k93 h ASN 111 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1k93 h ASN 111 CO -0.00 0.66 0.00 0.18 -1.65 0.00 0.00 177.43 176.62 1k93 n LEU 112 N -3.18 2.37 0.00 1.61 4.77 0.04 -4.91 117.00 117.70 1k93 n LEU 112 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1k93 n LEU 112 Cb 0.82 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1k93 n LEU 112 CO 0.43 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1k93 n GLY 113 N 0.79 3.13 3.47 -0.72 0.00 -1.05 -5.00 105.19 105.80 1k93 n GLY 113 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 3.91 0.03 1.61 2.56 -0.98 -4.96 118.70 120.12 1k93 s GLU 114 Ca 0.00 -2.25 -0.31 0.00 0.00 0.00 0.00 54.97 52.42 1k93 s GLU 114 Cb 0.00 -5.04 -0.10 0.00 2.00 0.00 0.00 34.13 31.00 1k93 s GLU 114 CO 0.00 -1.80 1.95 1.63 -0.56 0.00 0.00 175.26 176.48 1k93 n LYS 115 N 6.14 2.76 -4.41 4.30 4.76 -1.26 -3.74 118.16 126.71 1k93 n LYS 115 Ca 0.33 1.01 -0.27 0.00 -2.87 0.00 0.00 58.31 56.51 1k93 n LYS 115 Cb 0.45 -2.95 -0.12 0.00 -1.84 0.00 0.00 35.03 30.58 1k93 n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k93 s LEU 116 N 4.19 2.42 0.29 -0.35 1.43 -1.26 -5.02 118.68 120.38 1k93 s LEU 116 Ca 0.89 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 1k93 s LEU 116 Cb -0.48 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1k93 s LEU 116 CO 0.43 0.11 0.76 0.42 0.23 0.00 0.00 176.35 178.30 1k93 s THR 117 N -1.63 4.59 0.48 5.49 -4.23 -1.26 -4.93 115.64 114.15 1k93 s THR 117 Ca 0.19 1.17 0.35 0.00 -1.18 0.00 0.00 61.69 62.22 1k93 s THR 117 Cb -0.08 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1k93 s THR 117 CO 0.09 -0.02 2.05 0.44 -0.54 0.00 0.00 174.62 176.64 1k93 h ASP 118 N 2.73 0.00 0.21 3.99 3.45 -2.00 -1.01 116.42 123.80 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 39.96 1k93 h ASP 118 CO 0.65 0.00 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.89 1k93 h GLU 119 N 0.00 -0.27 -0.94 3.56 4.39 -2.00 -3.00 114.58 116.32 1k93 h GLU 119 Ca 0.00 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.86 1k93 h GLU 119 Cb 0.24 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 1k93 h GLU 119 CO 0.00 -0.18 0.60 0.93 -1.16 0.00 0.00 179.01 179.20 1k93 h GLU 120 N -0.55 0.79 0.29 2.33 5.08 -1.81 -2.53 114.58 118.18 1k93 h GLU 120 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1k93 h GLU 120 Cb 0.21 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1k93 h GLU 120 CO 0.05 0.52 -0.24 0.28 -1.00 0.00 0.00 179.01 178.62 1k93 h VAL 121 N 0.81 0.00 0.00 3.13 2.07 -1.30 -0.78 116.25 120.18 1k93 h VAL 121 Ca 0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.00 1k93 h VAL 121 Cb 0.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1k93 h VAL 121 CO -0.24 0.00 0.31 0.44 0.02 0.00 0.00 177.57 178.10 1k93 h ASP 122 N -0.51 0.00 0.15 0.57 3.32 -1.36 0.42 116.42 119.02 1k93 h ASP 122 Ca -0.04 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.74 1k93 h ASP 122 Cb 0.43 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.01 1k93 h ASP 122 CO 0.00 0.00 -1.17 -0.08 -1.72 0.00 0.00 179.24 176.27 1k93 h GLU 123 N 0.00 0.52 -0.49 3.56 4.22 -0.77 -2.92 114.58 118.71 1k93 h GLU 123 Ca 0.00 -0.77 -0.12 0.00 0.08 0.00 0.00 59.36 58.55 1k93 h GLU 123 Cb 0.62 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1k93 h GLU 123 CO 0.00 1.35 -0.17 0.52 -2.18 0.00 0.00 179.01 178.53 1k93 h MET 124 N 0.08 0.97 -0.27 1.92 2.86 0.97 -1.89 114.93 119.58 1k93 h MET 124 Ca -0.19 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.06 1k93 h MET 124 Cb 1.88 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 1k93 h MET 124 CO 0.22 1.05 0.14 0.82 1.06 0.00 0.00 176.91 180.20 1k93 h ILE 125 N 0.85 1.14 0.00 -1.22 1.08 -1.50 -2.25 117.51 115.61 1k93 h ILE 125 Ca 0.12 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 1k93 h ILE 125 Cb 0.73 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1k93 h ILE 125 CO 0.06 0.14 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.35 1k93 h ARG 126 N 0.31 0.00 0.60 2.37 2.43 -1.42 0.29 114.38 118.96 1k93 h ARG 126 Ca 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1k93 h ARG 126 Cb 0.09 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1k93 h ARG 126 CO -0.01 0.21 -0.29 0.93 -1.51 0.00 0.00 179.97 179.30 1k93 h GLU 127 N 0.00 -0.78 -0.23 0.20 4.39 -0.80 -3.30 114.58 114.07 1k93 h GLU 127 Ca -0.00 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1k93 h GLU 127 Cb 0.52 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1k93 h GLU 127 CO 0.03 -0.52 -0.17 0.00 -1.16 0.00 0.00 179.01 177.19 1k93 h ALA 128 N -1.38 1.28 -2.55 3.43 0.00 -1.33 -3.44 119.26 115.27 1k93 h ALA 128 Ca -0.08 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 1k93 h ALA 128 Cb 0.62 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.40 1k93 h ALA 128 CO 0.14 0.47 0.51 -3.47 0.00 0.00 0.00 179.25 176.90 1k93 n ASP 129 N -4.19 2.76 -0.00 0.00 -0.08 0.10 -4.84 116.55 110.30 1k93 n ASP 129 Ca -0.00 1.20 -0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1k93 n ASP 129 Cb 0.34 -1.49 -0.00 0.00 2.34 0.00 0.00 41.12 42.31 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 0.30 0.02 -0.08 5.18 5.41 -1.26 -4.71 119.36 124.21 1k93 n ILE 130 Ca 0.05 -0.01 0.06 0.00 1.00 0.00 0.00 62.75 63.85 1k93 n ILE 130 Cb 0.36 -0.86 0.15 0.00 -0.71 0.00 0.00 39.64 38.58 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 -1.97 2.88 -2.50 4.38 5.68 -1.26 -5.00 116.55 118.76 1k93 n ASP 131 Ca -0.00 -1.92 -0.18 0.00 -0.50 0.00 0.00 54.79 52.19 1k93 n ASP 131 Cb 0.47 -0.22 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.65 -0.24 0.07 6.12 0.00 -1.26 -4.89 105.19 105.64 1k93 n GLY 132 Ca 0.12 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.66 0.39 0.00 1.61 5.75 -1.26 -4.89 116.55 116.49 1k93 n ASP 133 Ca -0.07 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1k93 n ASP 133 Cb 0.58 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.36 0.56 3.27 6.12 0.00 -1.26 -5.00 105.19 110.24 1k93 n GLY 134 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.07 1.24 -0.21 1.61 -2.07 -1.26 -4.72 119.66 114.18 1k93 s GLN 135 Ca 0.00 -1.53 0.00 0.00 -1.82 0.00 0.00 55.36 52.01 1k93 s GLN 135 Cb 0.00 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.25 1k93 s GLN 135 CO 0.00 -0.43 -0.15 0.08 -1.32 0.00 0.00 175.29 173.47 1k93 s VAL 136 N -4.12 2.33 0.60 3.63 1.01 -0.45 -4.69 120.40 118.71 1k93 s VAL 136 Ca 0.34 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1k93 s VAL 136 Cb 0.06 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1k93 s VAL 136 CO 0.10 0.39 0.86 0.54 0.00 0.00 0.00 175.10 176.99 1k93 s ASN 137 N 1.29 5.17 0.22 3.32 2.20 -1.26 0.12 114.94 125.98 1k93 s ASN 137 Ca 0.02 0.19 -0.09 0.00 -0.94 0.00 0.00 52.86 52.05 1k93 s ASN 137 Cb -0.15 -1.02 0.31 0.00 -2.00 0.00 0.00 41.25 38.39 1k93 s ASN 137 CO -0.10 -1.27 1.73 0.22 -2.94 0.00 0.00 177.10 174.75 1k93 h TYR 138 N -0.15 0.37 -0.43 1.54 3.20 -1.99 -0.41 116.97 119.10 1k93 h TYR 138 Ca -0.43 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.55 1k93 h TYR 138 Cb 1.30 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 1k93 h TYR 138 CO 0.37 0.06 -0.03 0.93 -1.64 0.00 0.00 178.16 177.85 1k93 h GLU 139 N 0.38 0.07 0.32 1.82 3.07 -1.96 0.25 114.58 118.53 1k93 h GLU 139 Ca 0.33 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1k93 h GLU 139 Cb 0.44 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1k93 h GLU 139 CO -0.35 0.05 -0.15 0.93 -1.40 0.00 0.00 179.01 178.09 1k93 h GLU 140 N 0.07 -0.41 -1.15 2.33 5.08 -1.78 -2.01 114.58 116.71 1k93 h GLU 140 Ca 0.21 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.93 1k93 h GLU 140 Cb 0.32 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1k93 h GLU 140 CO -0.39 -0.17 0.79 0.35 -1.00 0.00 0.00 179.01 178.59 1k93 h PHE 141 N -0.59 0.30 0.06 4.33 3.57 -0.39 0.86 116.94 125.08 1k93 h PHE 141 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1k93 h PHE 141 Cb 0.43 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1k93 h PHE 141 CO -0.01 0.01 -0.03 0.28 -2.23 0.00 0.00 178.31 176.32 1k93 h VAL 142 N 0.16 1.22 0.30 1.41 2.07 0.07 -2.52 116.25 118.97 1k93 h VAL 142 Ca 0.60 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1k93 h VAL 142 Cb 2.02 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.66 1k93 h VAL 142 CO -0.15 0.25 -0.37 1.56 0.02 0.00 0.00 177.57 178.88 1k93 h GLN 143 N -0.55 -0.66 -0.20 1.57 1.08 -0.21 0.53 115.11 116.67 1k93 h GLN 143 Ca -0.01 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1k93 h GLN 143 Cb 0.48 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1k93 h GLN 143 CO 0.01 -0.44 0.75 1.98 -0.95 0.00 0.00 178.83 180.19 1k93 h MET 144 N -0.69 0.00 0.00 1.46 4.05 -1.20 0.33 114.93 118.88 1k93 h MET 144 Ca -0.04 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.14 1k93 h MET 144 Cb 0.61 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.36 1k93 h MET 144 CO -0.08 0.00 -2.04 -0.12 0.23 0.00 0.00 176.91 174.90 1k93 n MET 145 N -2.86 1.30 0.00 0.39 0.00 -0.47 -4.78 117.12 110.69 1k93 n MET 145 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 57.70 57.71 1k93 n MET 145 Cb 0.83 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.65 1k93 n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1k93 n THR 146 N -2.51 0.00 0.00 1.12 -2.24 0.17 -5.08 114.28 105.74 1k93 n THR 146 Ca -0.22 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1k93 n THR 146 Cb 0.93 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1k93 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50