#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ma4 s GLN 7 N 0.00 4.46 -0.08 0.54 2.00 -1.26 -4.88 119.66 120.44 3ma4 s GLN 7 Ca 0.00 1.01 -0.01 0.00 -2.00 0.00 0.00 55.36 54.36 3ma4 s GLN 7 Cb 0.00 -3.36 0.03 0.00 0.80 0.00 0.00 33.01 30.47 3ma4 s GLN 7 CO 0.00 0.29 -0.02 0.08 -0.50 0.00 0.00 175.29 175.13 3ma4 s VAL 8 N -0.03 0.59 -0.07 1.34 1.01 -1.26 -0.97 120.40 121.01 3ma4 s VAL 8 Ca 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 3ma4 s VAL 8 Cb -0.20 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.51 3ma4 s VAL 8 CO 0.22 0.29 -0.02 -0.70 0.00 0.00 0.00 175.10 174.89 3ma4 s GLU 9 N 1.85 0.81 -0.24 2.72 2.12 -0.39 -1.45 118.70 124.11 3ma4 s GLU 9 Ca 0.04 -0.01 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 3ma4 s GLU 9 Cb -0.12 -1.03 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 3ma4 s GLU 9 CO -0.06 -0.24 0.30 -1.17 -0.54 0.00 0.00 175.26 173.55 3ma4 s LEU 10 N 1.64 4.10 -0.32 2.70 2.96 0.11 -1.19 118.68 128.68 3ma4 s LEU 10 Ca 0.01 0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 54.07 3ma4 s LEU 10 Cb -0.13 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 3ma4 s LEU 10 CO -0.04 -0.06 0.22 -0.36 -1.32 0.00 0.00 176.35 174.79 3ma4 s PHE 11 N 1.47 3.22 0.33 5.38 0.08 0.54 -0.82 117.98 128.19 3ma4 s PHE 11 Ca 0.13 -0.15 0.06 0.00 0.12 0.00 0.00 56.93 57.09 3ma4 s PHE 11 Cb -0.15 -2.44 -0.07 0.00 -0.57 0.00 0.00 43.02 39.79 3ma4 s PHE 11 CO 0.08 -0.32 -0.01 0.14 -0.10 0.00 0.00 175.22 175.01 3ma4 s VAL 12 N 1.72 1.67 -0.16 -0.44 -7.23 -0.09 -1.51 120.40 114.37 3ma4 s VAL 12 Ca 0.06 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 3ma4 s VAL 12 Cb -0.17 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 3ma4 s VAL 12 CO 0.10 -0.12 1.26 -0.75 -0.31 0.00 0.00 175.10 175.28 3ma4 s LYS 13 N -3.76 4.24 0.67 4.82 2.47 -1.26 0.17 119.74 127.09 3ma4 s LYS 13 Ca 0.33 1.66 -0.11 0.00 -1.56 0.00 0.00 55.97 56.29 3ma4 s LYS 13 Cb 0.07 -3.75 -0.01 0.00 -1.46 0.00 0.00 37.83 32.68 3ma4 s LYS 13 CO 0.15 -0.69 1.05 0.00 0.16 0.00 0.00 175.35 176.03 3ma4 s ALA 14 N 3.39 2.78 0.27 3.13 0.00 0.00 -0.62 121.76 130.71 3ma4 s ALA 14 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3ma4 s ALA 14 Cb -0.22 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3ma4 s ALA 14 CO 0.15 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3ma4 n GLY 15 N -2.05 1.47 0.26 0.00 0.00 -0.47 -4.22 105.19 100.19 3ma4 n GLY 15 Ca 0.07 -1.84 0.16 0.00 0.00 0.00 0.00 46.02 44.41 3ma4 n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ma4 h SER 16 N 0.00 0.00 0.10 1.61 4.64 -1.91 -0.87 113.55 117.11 3ma4 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ma4 h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ma4 h SER 16 CO 0.00 0.00 -0.09 -0.90 -0.87 0.00 0.00 176.83 174.97 3ma4 n ASP 17 N -3.06 1.17 0.00 4.97 5.75 -1.26 -4.95 116.55 119.16 3ma4 n ASP 17 Ca 0.01 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.59 3ma4 n ASP 17 Cb 0.34 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3ma4 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ma4 n GLY 18 N 1.22 1.01 0.00 6.12 0.00 -0.33 -4.79 105.19 108.42 3ma4 n GLY 18 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ma4 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ma4 n ALA 19 N 0.64 0.00 -2.02 4.61 0.00 -1.26 -4.19 120.51 118.29 3ma4 n ALA 19 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3ma4 n ALA 19 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 3ma4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3ma4 s LYS 20 N 0.00 2.07 0.15 0.00 -2.85 -1.26 -4.89 119.74 112.96 3ma4 s LYS 20 Ca 0.00 -1.52 -0.28 0.00 -1.00 0.00 0.00 55.97 53.17 3ma4 s LYS 20 Cb 0.00 -2.55 -0.07 0.00 -2.06 0.00 0.00 37.83 33.15 3ma4 s LYS 20 CO 0.00 -1.08 0.87 0.42 0.10 0.00 0.00 175.35 175.66 3ma4 s ILE 21 N -2.83 4.39 0.45 3.79 1.01 -1.26 -1.37 121.20 125.37 3ma4 s ILE 21 Ca 0.64 1.90 0.08 0.00 0.00 0.00 0.00 60.65 63.27 3ma4 s ILE 21 Cb -0.05 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3ma4 s ILE 21 CO 0.41 0.43 0.61 -0.83 0.00 0.00 0.00 174.94 175.56 3ma4 s GLY 22 N -0.63 1.91 -0.03 6.18 0.00 0.21 -4.37 107.32 110.59 3ma4 s GLY 22 Ca 0.41 -1.76 -0.30 0.00 0.00 0.00 0.00 44.72 43.07 3ma4 s GLY 22 CO 0.28 -1.53 1.60 0.21 0.00 0.00 0.00 173.10 173.67 3ma4 s ASN 23 N -4.41 6.69 -0.30 1.64 2.47 -1.26 -4.73 114.94 115.05 3ma4 s ASN 23 Ca 0.56 2.25 -0.18 0.00 0.42 0.00 0.00 52.86 55.91 3ma4 s ASN 23 Cb -0.09 -2.54 0.18 0.00 -1.45 0.00 0.00 41.25 37.35 3ma4 s ASN 23 CO 0.34 -0.88 1.21 0.00 -3.72 0.00 0.00 177.10 174.04 3ma4 h PRO 25 N 7.54 0.00 0.09 0.00 0.13 -1.90 -2.84 132.00 135.02 3ma4 h PRO 25 Ca -0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 3ma4 h PRO 25 Cb 1.15 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.30 3ma4 h PRO 25 CO -0.06 0.00 -0.60 0.74 -0.23 0.00 0.00 178.00 177.86 3ma4 h PHE 26 N 0.00 0.43 -0.27 1.56 0.05 -1.96 -0.86 116.94 115.89 3ma4 h PHE 26 Ca 0.00 -0.30 0.06 0.00 3.82 0.00 0.00 57.97 61.56 3ma4 h PHE 26 Cb 0.74 -0.02 -0.08 0.00 2.00 0.00 0.00 35.95 38.59 3ma4 h PHE 26 CO 0.00 1.21 -0.28 0.77 -0.18 0.00 0.00 178.31 179.83 3ma4 h SER 27 N -0.47 -0.91 -0.27 2.17 0.02 -1.93 -2.71 113.55 109.45 3ma4 h SER 27 Ca -0.10 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3ma4 h SER 27 Cb 1.44 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 3ma4 h SER 27 CO 0.11 -0.31 0.14 -0.61 -1.14 0.00 0.00 176.83 175.02 3ma4 h GLN 28 N -0.28 0.28 -0.41 3.45 4.15 -1.49 -0.77 115.11 120.05 3ma4 h GLN 28 Ca 0.14 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.63 3ma4 h GLN 28 Cb 0.50 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.04 3ma4 h GLN 28 CO -0.43 0.18 -0.19 -0.09 -1.93 0.00 0.00 178.83 176.38 3ma4 h ARG 29 N 0.29 -0.10 -0.30 1.69 2.43 -0.85 0.62 114.38 118.17 3ma4 h ARG 29 Ca 0.11 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 3ma4 h ARG 29 Cb 0.03 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3ma4 h ARG 29 CO -0.07 -0.07 -0.50 -0.07 -1.51 0.00 0.00 179.97 177.75 3ma4 h LEU 30 N -0.11 0.95 -0.30 3.80 3.38 -1.33 0.30 115.31 122.00 3ma4 h LEU 30 Ca 0.20 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.71 3ma4 h LEU 30 Cb 0.41 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3ma4 h LEU 30 CO -0.48 1.29 -0.19 0.15 0.09 0.00 0.00 178.44 179.31 3ma4 h PHE 31 N 0.64 -0.49 -0.42 1.13 -0.00 -0.85 0.36 116.94 117.31 3ma4 h PHE 31 Ca 0.02 0.04 0.04 0.00 -0.00 0.00 0.00 57.97 58.07 3ma4 h PHE 31 Cb 1.11 0.26 -0.04 0.00 -0.00 0.00 0.00 35.95 37.28 3ma4 h PHE 31 CO 0.07 -0.27 0.18 0.00 -0.00 0.00 0.00 178.31 178.30 3ma4 h ALA 32 N 1.01 0.51 -0.73 2.41 0.00 -0.63 -1.61 119.26 120.22 3ma4 h ALA 32 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ma4 h ALA 32 Cb 0.40 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ma4 h ALA 32 CO -0.40 -0.19 0.42 0.28 0.00 0.00 0.00 179.25 179.36 3ma4 h VAL 33 N 0.37 1.22 0.04 0.00 2.07 0.23 -1.48 116.25 118.69 3ma4 h VAL 33 Ca 0.19 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3ma4 h VAL 33 Cb 0.14 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ma4 h VAL 33 CO -0.16 0.23 -0.10 -0.07 0.02 0.00 0.00 177.57 177.49 3ma4 h LEU 34 N 1.00 -0.29 -0.36 2.57 3.38 -0.03 -2.22 115.31 119.35 3ma4 h LEU 34 Ca 0.26 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3ma4 h LEU 34 Cb 0.00 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 3ma4 h LEU 34 CO -0.05 -0.15 -0.38 -0.25 0.09 0.00 0.00 178.44 177.71 3ma4 h TRP 35 N -0.20 -1.07 0.00 1.13 2.91 -1.02 -2.16 115.95 115.54 3ma4 h TRP 35 Ca 0.03 0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.11 3ma4 h TRP 35 Cb 0.23 0.52 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 3ma4 h TRP 35 CO -0.15 -0.42 0.00 -0.07 -1.03 0.00 0.00 178.44 176.77 3ma4 h LEU 36 N -0.31 0.00 -0.11 0.65 3.38 -0.96 -0.58 115.31 117.38 3ma4 h LEU 36 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 3ma4 h LEU 36 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3ma4 h LEU 36 CO -0.53 0.00 -1.01 0.11 0.09 0.00 0.00 178.44 177.10 3ma4 h LYS 37 N 0.00 0.23 -0.69 1.13 1.79 -0.79 -3.44 116.57 114.80 3ma4 h LYS 37 Ca 0.00 -0.30 -0.10 0.00 -2.18 0.00 0.00 60.65 58.07 3ma4 h LYS 37 Cb 0.33 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 3ma4 h LYS 37 CO 0.00 1.06 -0.13 0.41 -1.08 0.00 0.00 179.45 179.71 3ma4 n GLY 38 N 1.14 0.20 3.91 3.86 0.00 -0.23 -4.34 105.19 109.73 3ma4 n GLY 38 Ca -0.05 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 3ma4 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ma4 s VAL 39 N -2.25 4.95 -0.20 1.61 0.11 -1.26 -5.02 120.40 118.34 3ma4 s VAL 39 Ca 0.00 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 3ma4 s VAL 39 Cb 0.00 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 3ma4 s VAL 39 CO 0.00 -0.69 0.76 -0.89 -3.33 0.00 0.00 175.10 170.95 3ma4 s THR 40 N -2.53 4.92 0.07 5.04 2.01 -1.26 -4.91 115.64 118.98 3ma4 s THR 40 Ca 0.46 1.45 -0.03 0.00 0.31 0.00 0.00 61.69 63.88 3ma4 s THR 40 Cb -0.10 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3ma4 s THR 40 CO 0.40 0.02 0.03 0.72 -0.69 0.00 0.00 174.62 175.10 3ma4 s PHE 41 N 2.29 0.45 0.19 4.92 -0.12 -1.26 -4.39 117.98 120.06 3ma4 s PHE 41 Ca 0.34 -0.96 0.05 0.00 -0.05 0.00 0.00 56.93 56.31 3ma4 s PHE 41 Cb -0.16 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 3ma4 s PHE 41 CO 0.10 -0.43 0.17 -0.80 -0.05 0.00 0.00 175.22 174.21 3ma4 s ASN 42 N -2.91 5.62 -0.10 1.98 0.02 -0.53 -5.02 114.94 114.00 3ma4 s ASN 42 Ca 0.08 -0.13 0.01 0.00 -1.02 0.00 0.00 52.86 51.80 3ma4 s ASN 42 Cb 0.07 -1.49 0.02 0.00 0.02 0.00 0.00 41.25 39.87 3ma4 s ASN 42 CO -0.09 0.03 -0.11 -0.69 0.02 0.00 0.00 177.10 176.26 3ma4 s VAL 43 N -1.86 1.19 -0.24 1.60 1.01 -1.26 0.10 120.40 120.93 3ma4 s VAL 43 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3ma4 s VAL 43 Cb -0.10 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.20 3ma4 s VAL 43 CO 0.24 0.38 -0.10 -0.89 0.00 0.00 0.00 175.10 174.73 3ma4 s THR 44 N 1.18 2.44 0.35 3.92 2.01 0.00 -4.95 115.64 120.59 3ma4 s THR 44 Ca -0.04 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 60.43 3ma4 s THR 44 Cb -0.14 -2.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.99 3ma4 s THR 44 CO -0.03 0.16 1.01 0.42 -0.69 0.00 0.00 174.62 175.49 3ma4 s THR 45 N 1.23 3.88 -0.18 -0.82 -4.23 -1.26 -0.91 115.64 113.35 3ma4 s THR 45 Ca -0.03 1.55 0.01 0.00 -1.18 0.00 0.00 61.69 62.04 3ma4 s THR 45 Cb -0.17 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 69.84 3ma4 s THR 45 CO -0.06 0.11 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.28 3ma4 s VAL 46 N -1.57 1.87 -0.53 2.29 1.01 0.44 -4.82 120.40 119.09 3ma4 s VAL 46 Ca 0.53 -0.95 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 3ma4 s VAL 46 Cb -0.22 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.41 3ma4 s VAL 46 CO 0.28 0.40 1.08 -0.62 0.00 0.00 0.00 175.10 176.23 3ma4 s ASP 47 N 1.34 6.47 0.55 3.32 -1.08 -1.26 -0.82 116.67 125.19 3ma4 s ASP 47 Ca 0.02 0.08 0.28 0.00 -0.52 0.00 0.00 52.55 52.41 3ma4 s ASP 47 Cb -0.14 -2.51 1.59 0.00 -1.46 0.00 0.00 42.92 40.40 3ma4 s ASP 47 CO -0.11 -1.30 2.15 0.71 0.52 0.00 0.00 175.17 177.14 3ma4 h THR 48 N 6.13 0.58 -0.01 1.71 1.35 -1.94 -0.95 112.91 119.78 3ma4 h THR 48 Ca -0.25 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3ma4 h THR 48 Cb 1.06 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3ma4 h THR 48 CO 1.12 0.07 -0.24 0.29 -0.25 0.00 0.00 175.52 176.51 3ma4 n LYS 49 N -3.77 1.12 -3.07 4.72 5.02 -1.26 -4.33 118.16 116.58 3ma4 n LYS 49 Ca -0.02 -0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 55.36 3ma4 n LYS 49 Cb 0.17 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3ma4 n LYS 49 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ma4 n ARG 50 N -0.30 0.88 -2.78 1.97 5.12 -0.37 -5.15 116.66 116.02 3ma4 n ARG 50 Ca 0.13 -2.93 -0.38 0.00 -1.93 0.00 0.00 57.85 52.74 3ma4 n ARG 50 Cb 0.38 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.19 3ma4 n ARG 50 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3ma4 s ARG 51 N -1.29 4.70 0.80 5.56 0.52 -1.15 -4.58 118.95 123.51 3ma4 s ARG 51 Ca 0.35 1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 56.83 3ma4 s ARG 51 Cb 0.27 -3.04 0.07 0.00 0.52 0.00 0.00 34.95 32.77 3ma4 s ARG 51 CO -0.10 0.41 1.09 0.95 0.02 0.00 0.00 175.30 177.66 3ma4 s THR 52 N -1.39 3.20 0.31 0.02 -4.23 -1.26 -4.84 115.64 107.44 3ma4 s THR 52 Ca 0.45 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 3ma4 s THR 52 Cb -0.22 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.79 3ma4 s THR 52 CO 0.28 -0.51 1.84 -0.33 -0.54 0.00 0.00 174.62 175.36 3ma4 h GLU 53 N -1.17 0.65 -0.27 3.99 5.08 -1.99 -1.90 114.58 118.97 3ma4 h GLU 53 Ca -0.46 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3ma4 h GLU 53 Cb 1.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3ma4 h GLU 53 CO 0.55 0.65 0.17 1.15 -1.00 0.00 0.00 179.01 180.53 3ma4 h THR 54 N 0.63 1.08 -0.61 1.13 2.02 -2.00 -2.16 112.91 112.99 3ma4 h THR 54 Ca 0.13 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3ma4 h THR 54 Cb 0.34 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3ma4 h THR 54 CO 0.01 0.08 0.29 0.58 0.37 0.00 0.00 175.52 176.85 3ma4 h VAL 55 N 0.35 1.21 -0.62 3.16 2.07 -1.88 -0.93 116.25 119.61 3ma4 h VAL 55 Ca 0.10 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3ma4 h VAL 55 Cb -0.02 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3ma4 h VAL 55 CO -0.02 0.25 0.31 1.56 0.02 0.00 0.00 177.57 179.68 3ma4 h GLN 56 N 0.83 0.54 0.02 1.57 4.20 -1.14 -1.61 115.11 119.53 3ma4 h GLN 56 Ca 0.21 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 58.66 3ma4 h GLN 56 Cb 0.12 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3ma4 h GLN 56 CO -0.03 0.36 -0.98 -0.22 -0.67 0.00 0.00 178.83 177.30 3ma4 h LYS 57 N 0.56 0.33 -0.66 1.46 3.64 -1.30 -3.20 116.57 117.40 3ma4 h LYS 57 Ca 0.29 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ma4 h LYS 57 Cb 0.25 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3ma4 h LYS 57 CO -0.22 1.09 0.42 -0.07 -2.27 0.00 0.00 179.45 178.40 3ma4 h LEU 58 N 0.17 0.77 -6.02 5.20 3.38 -1.00 -3.38 115.31 114.43 3ma4 h LEU 58 Ca -0.08 -0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.39 3ma4 h LEU 58 Cb 1.63 -0.19 -0.32 0.00 0.09 0.00 0.00 40.66 41.87 3ma4 h LEU 58 CO 0.16 0.58 -0.83 0.00 0.09 0.00 0.00 178.44 178.45 3ma4 n PRO 60 N 3.02 0.06 0.16 0.00 -0.02 -1.21 -0.38 135.00 136.63 3ma4 n PRO 60 Ca 0.25 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 3ma4 n PRO 60 Cb 0.49 -1.61 0.47 0.00 -0.02 0.00 0.00 33.50 32.83 3ma4 n PRO 60 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ma4 h GLY 61 N 2.29 0.00 -0.10 -1.23 0.00 -1.93 -3.47 103.07 98.63 3ma4 h GLY 61 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3ma4 h GLY 61 CO 0.00 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 177.11 3ma4 n GLY 62 N 0.50 0.39 3.72 4.60 0.00 0.48 -5.01 105.19 109.88 3ma4 n GLY 62 Ca 0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3ma4 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ma4 n GLN 63 N -0.88 1.15 -3.69 1.61 3.00 -1.26 -5.03 117.38 112.28 3ma4 n GLN 63 Ca -0.02 0.45 -0.10 0.00 -0.01 0.00 0.00 57.00 57.31 3ma4 n GLN 63 Cb 0.33 -2.52 -0.10 0.00 0.00 0.00 0.00 30.24 27.95 3ma4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ma4 s LEU 64 N -4.15 -0.13 0.68 1.08 1.43 -1.26 -4.23 118.68 112.10 3ma4 s LEU 64 Ca 0.82 0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.73 3ma4 s LEU 64 Cb -0.39 1.47 0.01 0.00 0.03 0.00 0.00 46.19 47.32 3ma4 s LEU 64 CO 0.41 -0.19 1.11 -2.16 0.23 0.00 0.00 176.35 175.75 3ma4 s PRO 65 N 1.30 2.67 0.19 1.29 0.04 -1.26 -4.98 135.00 134.24 3ma4 s PRO 65 Ca -0.09 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.31 3ma4 s PRO 65 Cb -0.07 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3ma4 s PRO 65 CO -0.12 -1.35 0.05 -0.59 0.04 0.00 0.00 177.00 175.03 3ma4 s PHE 66 N -2.45 1.20 -0.07 0.56 -0.12 -0.57 -4.48 117.98 112.05 3ma4 s PHE 66 Ca 0.66 -1.15 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 3ma4 s PHE 66 Cb -0.20 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.52 3ma4 s PHE 66 CO 0.45 -0.36 -0.13 -1.17 -0.05 0.00 0.00 175.22 173.95 3ma4 s LEU 67 N -3.18 1.67 -0.28 -1.99 2.96 -0.21 -0.34 118.68 117.31 3ma4 s LEU 67 Ca 0.29 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 3ma4 s LEU 67 Cb 0.07 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3ma4 s LEU 67 CO 0.07 0.04 0.32 -0.22 -1.32 0.00 0.00 176.35 175.23 3ma4 s LEU 68 N 0.71 4.08 -0.23 -0.68 2.96 -0.33 0.70 118.68 125.89 3ma4 s LEU 68 Ca -0.13 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3ma4 s LEU 68 Cb -0.16 -2.33 0.07 0.00 0.50 0.00 0.00 46.19 44.28 3ma4 s LEU 68 CO 0.03 -0.16 0.02 -0.47 -1.32 0.00 0.00 176.35 174.45 3ma4 s TYR 69 N 1.97 1.63 0.00 5.38 5.04 0.33 -1.26 117.35 130.44 3ma4 s TYR 69 Ca 0.12 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 3ma4 s TYR 69 Cb -0.16 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 40.78 3ma4 s TYR 69 CO 0.10 -0.72 0.00 0.41 -1.34 0.00 0.00 175.55 174.00 3ma4 n GLY 70 N 4.88 2.29 0.34 8.97 0.00 -0.14 -2.06 105.19 119.47 3ma4 n GLY 70 Ca -0.08 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3ma4 n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ma4 n THR 71 N 0.00 0.00 -3.80 2.61 -2.24 -1.26 -4.85 114.28 104.74 3ma4 n THR 71 Ca 0.00 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 3ma4 n THR 71 Cb 0.00 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3ma4 n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ma4 s GLU 72 N -1.61 3.64 -0.14 -0.78 0.41 -0.88 -5.06 118.70 114.29 3ma4 s GLU 72 Ca 0.12 -0.08 -0.09 0.00 -0.41 0.00 0.00 54.97 54.52 3ma4 s GLU 72 Cb 0.11 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.18 3ma4 s GLU 72 CO 0.32 0.67 0.17 0.08 -0.49 0.00 0.00 175.26 176.01 3ma4 s VAL 73 N -0.76 5.43 -0.10 2.63 1.01 -1.26 -0.51 120.40 126.84 3ma4 s VAL 73 Ca 0.15 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3ma4 s VAL 73 Cb -0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3ma4 s VAL 73 CO 0.04 0.55 -0.15 -1.00 0.00 0.00 0.00 175.10 174.55 3ma4 s HIS 74 N -0.55 2.75 0.33 5.22 3.76 0.22 -4.96 115.29 122.05 3ma4 s HIS 74 Ca 0.14 -0.51 0.09 0.00 -0.15 0.00 0.00 55.06 54.63 3ma4 s HIS 74 Cb -0.12 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.76 3ma4 s HIS 74 CO 0.03 -0.10 -0.03 0.95 -0.85 0.00 0.00 174.74 174.74 3ma4 s THR 75 N -0.02 2.59 0.00 1.30 -4.23 -1.26 -1.04 115.64 112.98 3ma4 s THR 75 Ca -0.04 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 3ma4 s THR 75 Cb -0.14 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3ma4 s THR 75 CO 0.04 -0.23 0.00 -0.67 -0.54 0.00 0.00 174.62 173.22 3ma4 n ASP 76 N -0.89 -0.99 0.14 3.99 -0.08 -1.26 -4.48 116.55 112.98 3ma4 n ASP 76 Ca -0.05 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.10 3ma4 n ASP 76 Cb 0.62 -0.50 -0.06 0.00 2.34 0.00 0.00 41.12 43.52 3ma4 n ASP 76 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 3ma4 h THR 77 N 0.00 0.38 -0.61 5.18 2.02 -1.96 0.97 112.91 118.88 3ma4 h THR 77 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3ma4 h THR 77 Cb 0.00 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 66.67 3ma4 h THR 77 CO 0.00 0.00 -0.35 0.78 0.37 0.00 0.00 175.52 176.32 3ma4 h ASN 78 N -0.55 -1.23 0.08 4.18 2.35 -1.99 -0.22 115.58 118.19 3ma4 h ASN 78 Ca 0.01 0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3ma4 h ASN 78 Cb 0.55 0.60 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 3ma4 h ASN 78 CO -0.13 -0.31 -0.11 0.11 -1.65 0.00 0.00 177.43 175.35 3ma4 h LYS 79 N -0.16 0.08 -0.03 0.81 1.57 -1.67 -0.39 116.57 116.78 3ma4 h LYS 79 Ca 0.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3ma4 h LYS 79 Cb 0.56 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ma4 h LYS 79 CO -0.70 0.20 -0.07 0.82 -0.57 0.00 0.00 179.45 179.13 3ma4 h ILE 80 N 0.08 1.44 -0.37 1.86 2.04 0.38 -1.56 117.51 121.38 3ma4 h ILE 80 Ca 0.02 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.51 3ma4 h ILE 80 Cb 0.25 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3ma4 h ILE 80 CO 0.02 0.38 0.14 -0.08 0.00 0.00 0.00 178.15 178.60 3ma4 h GLU 81 N -0.43 0.29 -0.68 2.37 4.81 -0.39 -0.99 114.58 119.55 3ma4 h GLU 81 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3ma4 h GLU 81 Cb 0.65 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3ma4 h GLU 81 CO 0.02 0.19 0.23 1.49 -0.73 0.00 0.00 179.01 180.21 3ma4 h GLU 82 N 0.30 1.03 -0.12 1.92 4.81 -1.06 -0.26 114.58 121.20 3ma4 h GLU 82 Ca 0.17 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3ma4 h GLU 82 Cb 0.14 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3ma4 h GLU 82 CO -0.17 0.87 -0.07 0.35 -0.73 0.00 0.00 179.01 179.27 3ma4 h PHE 83 N 1.00 -0.15 -0.93 0.92 3.57 -0.73 -1.91 116.94 118.72 3ma4 h PHE 83 Ca 0.23 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3ma4 h PHE 83 Cb 0.25 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3ma4 h PHE 83 CO 0.02 -0.10 0.60 -0.07 -2.23 0.00 0.00 178.31 176.53 3ma4 h LEU 84 N -0.06 1.08 -0.44 0.59 3.38 -0.49 0.70 115.31 120.07 3ma4 h LEU 84 Ca 0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ma4 h LEU 84 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ma4 h LEU 84 CO -0.16 0.79 0.15 -0.08 0.09 0.00 0.00 178.44 179.23 3ma4 h GLU 85 N 1.26 0.67 -0.26 1.13 4.57 -0.93 -0.85 114.58 120.17 3ma4 h GLU 85 Ca 0.34 -0.14 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 3ma4 h GLU 85 Cb -0.12 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.36 3ma4 h GLU 85 CO -0.07 0.64 -0.43 0.00 -1.18 0.00 0.00 179.01 177.97 3ma4 h ALA 86 N 1.00 0.40 0.00 2.92 0.00 -1.08 -3.34 119.26 119.16 3ma4 h ALA 86 Ca 0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3ma4 h ALA 86 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ma4 h ALA 86 CO -0.01 0.52 -0.98 -0.24 0.00 0.00 0.00 179.25 178.55 3ma4 h VAL 87 N 0.48 0.90 -3.45 0.00 3.04 -0.80 -3.41 116.25 113.01 3ma4 h VAL 87 Ca 0.02 -2.40 -0.72 0.00 -1.01 0.00 0.00 66.70 62.59 3ma4 h VAL 87 Cb 1.03 2.37 -0.26 0.00 -2.01 0.00 0.00 31.29 32.42 3ma4 h VAL 87 CO 0.10 0.51 -0.45 -0.76 -1.01 0.00 0.00 177.57 175.96 3ma4 s LEU 88 N -6.26 5.16 0.09 3.16 1.43 -0.33 -5.05 118.68 116.89 3ma4 s LEU 88 Ca 0.01 -1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 51.73 3ma4 s LEU 88 Cb 0.08 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3ma4 s LEU 88 CO 0.79 -0.53 0.01 0.00 0.23 0.00 0.00 176.35 176.85 3ma4 n PRO 90 N 0.00 0.66 0.02 0.00 -0.02 -0.38 -2.47 135.00 132.81 3ma4 n PRO 90 Ca -0.10 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.76 3ma4 n PRO 90 Cb 0.62 -2.28 0.41 0.00 -0.02 0.00 0.00 33.50 32.23 3ma4 n PRO 90 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ma4 n PRO 91 N -1.81 0.03 0.02 0.52 -0.04 -1.26 -4.82 135.00 127.63 3ma4 n PRO 91 Ca 0.14 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 3ma4 n PRO 91 Cb 0.49 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3ma4 n PRO 91 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3ma4 h ARG 92 N 0.00 0.59 -4.67 0.54 2.43 -1.97 -3.45 114.38 107.85 3ma4 h ARG 92 Ca 0.00 -0.47 -0.48 0.00 -0.81 0.00 0.00 59.98 58.22 3ma4 h ARG 92 Cb 0.34 0.10 -0.32 0.00 -0.42 0.00 0.00 29.97 29.67 3ma4 h ARG 92 CO 0.00 1.09 -0.80 0.71 -1.51 0.00 0.00 179.97 179.46 3ma4 s TYR 93 N -3.70 1.24 0.64 2.20 2.02 -1.03 -5.00 117.35 113.72 3ma4 s TYR 93 Ca -0.08 -0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.07 3ma4 s TYR 93 Cb 0.10 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 3ma4 s TYR 93 CO 0.87 -0.18 1.24 -1.25 -1.57 0.00 0.00 175.55 174.67 3ma4 s PRO 94 N 0.38 2.63 0.16 -1.71 0.04 -1.26 -1.25 135.00 133.98 3ma4 s PRO 94 Ca -0.08 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 3ma4 s PRO 94 Cb -0.12 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3ma4 s PRO 94 CO 0.02 -1.50 0.83 0.21 0.04 0.00 0.00 177.00 176.60 3ma4 s LYS 95 N -3.47 4.64 0.00 4.56 2.20 -1.26 -4.81 119.74 121.59 3ma4 s LYS 95 Ca 0.79 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 3ma4 s LYS 95 Cb -0.33 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3ma4 s LYS 95 CO 0.38 0.47 0.04 1.28 -0.36 0.00 0.00 175.35 177.16 3ma4 n LEU 96 N 1.91 0.07 -4.56 5.43 4.77 -1.26 -5.00 117.00 118.37 3ma4 n LEU 96 Ca -0.03 -0.50 -0.51 0.00 -0.03 0.00 0.00 56.01 54.94 3ma4 n LEU 96 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3ma4 n LEU 96 CO 0.48 0.02 0.68 0.00 -1.33 0.00 0.00 177.39 177.23 3ma4 n ALA 97 N -0.85 -1.34 -1.50 -1.18 0.00 -1.26 -1.43 120.51 112.95 3ma4 n ALA 97 Ca 0.00 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 3ma4 n ALA 97 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.52 3ma4 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ma4 n ALA 98 N 1.56 -0.84 0.03 0.00 0.00 -1.26 -4.85 120.51 115.14 3ma4 n ALA 98 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 3ma4 n ALA 98 Cb 0.21 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 3ma4 n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ma4 h LEU 99 N 0.45 0.00 -8.88 0.00 3.38 -1.92 -3.46 115.31 104.88 3ma4 h LEU 99 Ca -0.45 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.88 3ma4 h LEU 99 Cb 1.39 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.96 3ma4 h LEU 99 CO 0.49 0.66 -0.55 0.20 0.09 0.00 0.00 178.44 179.33 3ma4 s ASN 100 N -5.87 5.76 0.46 -0.43 0.01 -1.26 -5.01 114.94 108.60 3ma4 s ASN 100 Ca -0.03 -0.03 0.15 0.00 -0.71 0.00 0.00 52.86 52.23 3ma4 s ASN 100 Cb 0.09 -2.05 1.10 0.00 0.41 0.00 0.00 41.25 40.80 3ma4 s ASN 100 CO 0.81 -0.00 2.03 -0.65 -1.51 0.00 0.00 177.10 177.78 3ma4 h PRO 101 N 8.02 0.28 0.00 -0.60 0.11 -2.03 -1.10 132.00 136.68 3ma4 h PRO 101 Ca -0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3ma4 h PRO 101 Cb 1.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ma4 h PRO 101 CO 0.59 0.19 -0.03 1.05 -0.21 0.00 0.00 178.00 179.59 3ma4 h GLU 102 N 0.29 0.00 0.00 1.05 9.09 -2.00 -0.94 114.58 122.07 3ma4 h GLU 102 Ca 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.57 3ma4 h GLU 102 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3ma4 h GLU 102 CO -0.04 0.03 -0.17 0.77 0.05 0.00 0.00 179.01 179.64 3ma4 h SER 103 N 0.00 0.00 0.92 3.06 0.02 -1.54 -1.79 113.55 114.21 3ma4 h SER 103 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ma4 h SER 103 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3ma4 h SER 103 CO 0.00 0.17 -0.01 0.59 -1.14 0.00 0.00 176.83 176.44 3ma4 n ASN 104 N -3.44 0.02 -0.01 3.07 3.02 -0.36 -4.19 115.26 113.36 3ma4 n ASN 104 Ca -0.01 0.37 -0.01 0.00 -0.03 0.00 0.00 54.58 54.91 3ma4 n ASN 104 Cb 0.35 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3ma4 n ASN 104 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ma4 n THR 105 N -1.46 0.17 -1.68 3.41 -2.24 -0.95 -4.92 114.28 106.62 3ma4 n THR 105 Ca 0.08 -0.11 -0.47 0.00 -2.27 0.00 0.00 64.05 61.29 3ma4 n THR 105 Cb 0.32 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.60 3ma4 n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ma4 n ALA 106 N -2.13 1.05 -0.76 6.98 0.00 -0.72 -1.25 120.51 123.68 3ma4 n ALA 106 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3ma4 n ALA 106 Cb 0.58 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3ma4 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ma4 n GLY 107 N 4.45 0.61 0.26 0.00 0.00 -1.26 -4.95 105.19 104.30 3ma4 n GLY 107 Ca 0.22 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3ma4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ma4 h LEU 108 N 0.00 0.00 -0.03 0.99 3.38 -1.53 -3.06 115.31 115.06 3ma4 h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ma4 h LEU 108 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ma4 h LEU 108 CO 0.00 0.10 -0.53 -0.90 0.09 0.00 0.00 178.44 177.20 3ma4 n ASP 109 N -3.93 0.58 -0.18 -0.43 5.75 -1.26 -4.23 116.55 112.84 3ma4 n ASP 109 Ca -0.02 -0.36 -0.03 0.00 -0.01 0.00 0.00 54.79 54.37 3ma4 n ASP 109 Cb 0.19 0.32 0.07 0.00 -1.03 0.00 0.00 41.12 40.67 3ma4 n ASP 109 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3ma4 h ILE 110 N 0.07 0.89 0.10 2.12 2.04 -1.87 -2.21 117.51 118.64 3ma4 h ILE 110 Ca 0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ma4 h ILE 110 Cb 0.50 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ma4 h ILE 110 CO 0.00 0.09 -0.05 0.15 0.00 0.00 0.00 178.15 178.34 3ma4 h PHE 111 N 0.47 -0.12 -0.84 1.37 3.57 -1.81 0.19 116.94 119.77 3ma4 h PHE 111 Ca 0.26 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.95 3ma4 h PHE 111 Cb 0.22 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 38.89 3ma4 h PHE 111 CO -0.13 0.13 0.31 0.00 -2.23 0.00 0.00 178.31 176.40 3ma4 h ALA 112 N 0.50 1.25 -0.61 2.41 0.00 -1.78 0.38 119.26 121.41 3ma4 h ALA 112 Ca -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ma4 h ALA 112 Cb 0.31 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ma4 h ALA 112 CO 0.02 -0.33 0.11 0.87 0.00 0.00 0.00 179.25 179.92 3ma4 h LYS 113 N 0.36 1.01 0.24 0.00 1.79 -0.70 -2.47 116.57 116.80 3ma4 h LYS 113 Ca 0.51 -0.26 -0.01 0.00 -2.18 0.00 0.00 60.65 58.70 3ma4 h LYS 113 Cb 0.92 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3ma4 h LYS 113 CO -0.52 0.94 -0.12 0.35 -1.08 0.00 0.00 179.45 179.02 3ma4 h PHE 114 N 0.92 -0.30 -0.71 -1.35 3.57 -0.16 -2.26 116.94 116.65 3ma4 h PHE 114 Ca 0.19 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3ma4 h PHE 114 Cb 0.41 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3ma4 h PHE 114 CO 0.03 -0.12 0.47 0.77 -2.23 0.00 0.00 178.31 177.23 3ma4 h SER 115 N -0.42 0.56 -0.24 0.41 0.02 0.02 0.40 113.55 114.31 3ma4 h SER 115 Ca -0.03 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3ma4 h SER 115 Cb 0.32 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3ma4 h SER 115 CO 0.06 0.34 -0.12 0.00 -1.14 0.00 0.00 176.83 175.96 3ma4 h ALA 116 N 1.64 0.33 -0.41 3.77 0.00 -1.34 0.26 119.26 123.51 3ma4 h ALA 116 Ca 0.32 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ma4 h ALA 116 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3ma4 h ALA 116 CO -0.11 0.19 0.17 -0.92 0.00 0.00 0.00 179.25 178.58 3ma4 h TYR 117 N 0.22 0.31 0.00 0.00 3.20 -0.64 -1.75 116.97 118.31 3ma4 h TYR 117 Ca 0.05 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.71 3ma4 h TYR 117 Cb 0.62 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3ma4 h TYR 117 CO 0.06 0.14 -1.17 0.97 -1.64 0.00 0.00 178.16 176.52 3ma4 h ILE 118 N 0.35 1.51 0.00 1.81 6.09 -0.95 -3.19 117.51 123.13 3ma4 h ILE 118 Ca 0.18 -3.25 -0.12 0.00 -1.37 0.00 0.00 64.86 60.30 3ma4 h ILE 118 Cb 0.14 2.74 -0.02 0.00 0.47 0.00 0.00 36.82 40.15 3ma4 h ILE 118 CO -0.16 0.86 -0.58 0.11 -3.07 0.00 0.00 178.15 175.30 3ma4 h LYS 119 N 0.00 0.00 -6.47 2.19 1.57 -0.89 -3.27 116.57 109.69 3ma4 h LYS 119 Ca -0.08 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.10 3ma4 h LYS 119 Cb 1.83 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.21 3ma4 h LYS 119 CO 0.12 0.58 0.62 -1.71 -0.57 0.00 0.00 179.45 178.49 3ma4 n ASN 120 N -3.46 2.55 -0.11 0.86 5.15 -0.66 -4.81 115.26 114.77 3ma4 n ASN 120 Ca 0.00 1.11 0.01 0.00 -0.60 0.00 0.00 54.58 55.11 3ma4 n ASN 120 Cb 0.68 -1.36 0.02 0.00 -0.53 0.00 0.00 39.78 38.58 3ma4 n ASN 120 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3ma4 n SER 121 N 2.70 1.71 -4.57 1.20 3.41 -1.26 -4.51 113.62 112.30 3ma4 n SER 121 Ca 0.15 -1.57 -0.43 0.00 -0.26 0.00 0.00 58.87 56.77 3ma4 n SER 121 Cb 0.28 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3ma4 n SER 121 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ma4 s ASN 122 N -0.61 6.50 0.56 4.04 3.84 -1.26 -4.72 114.94 123.29 3ma4 s ASN 122 Ca 0.04 0.13 0.34 0.00 0.21 0.00 0.00 52.86 53.57 3ma4 s ASN 122 Cb 0.02 -2.48 1.53 0.00 -0.55 0.00 0.00 41.25 39.77 3ma4 s ASN 122 CO 0.03 -1.17 2.05 1.55 -2.79 0.00 0.00 177.10 176.78 3ma4 h PRO 123 N 9.20 0.00 -0.55 0.43 0.14 -1.94 -1.59 132.00 137.69 3ma4 h PRO 123 Ca -0.24 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.81 3ma4 h PRO 123 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.19 3ma4 h PRO 123 CO 1.08 0.05 0.01 0.00 0.14 0.00 0.00 178.00 179.27 3ma4 h ALA 124 N 1.95 0.74 -0.99 -0.56 0.00 -2.03 -2.92 119.26 115.45 3ma4 h ALA 124 Ca -0.00 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 3ma4 h ALA 124 Cb 0.42 -0.20 -0.30 0.00 0.00 0.00 0.00 17.79 17.70 3ma4 h ALA 124 CO 0.01 0.56 0.76 1.28 0.00 0.00 0.00 179.25 181.85 3ma4 n LEU 125 N -4.27 7.19 0.06 0.00 4.32 -0.60 -4.44 117.00 119.25 3ma4 n LEU 125 Ca 0.02 -3.92 -0.21 0.00 -0.02 0.00 0.00 56.01 51.88 3ma4 n LEU 125 Cb 0.33 -0.91 -0.15 0.00 -1.62 0.00 0.00 43.42 41.07 3ma4 n LEU 125 CO 0.43 1.25 -0.54 -1.13 -1.22 0.00 0.00 177.39 176.18 3ma4 h ASN 126 N 1.47 0.52 0.53 -1.43 -1.24 -1.44 -3.22 115.58 110.78 3ma4 h ASN 126 Ca 0.62 -0.82 -0.20 0.00 0.71 0.00 0.00 56.30 56.61 3ma4 h ASN 126 Cb 1.87 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.74 3ma4 h ASN 126 CO 1.33 1.70 -0.88 0.44 -1.29 0.00 0.00 177.43 178.73 3ma4 h ASP 127 N 0.09 0.31 -0.40 1.15 5.19 -1.80 -2.67 116.42 118.29 3ma4 h ASP 127 Ca -0.33 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 55.78 3ma4 h ASP 127 Cb 2.07 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.47 3ma4 h ASP 127 CO 0.16 1.04 0.03 -1.13 -3.12 0.00 0.00 179.24 176.22 3ma4 h ASN 128 N 0.13 0.67 -0.90 6.45 -0.73 -1.85 -0.99 115.58 118.36 3ma4 h ASN 128 Ca -0.05 -0.29 0.04 0.00 1.87 0.00 0.00 56.30 57.87 3ma4 h ASN 128 Cb 1.51 -0.18 -0.05 0.00 0.27 0.00 0.00 38.32 39.86 3ma4 h ASN 128 CO 0.14 0.79 0.58 -0.07 -0.37 0.00 0.00 177.43 178.50 3ma4 h LEU 129 N 0.52 0.95 -0.72 0.34 3.38 -1.56 -1.86 115.31 116.36 3ma4 h LEU 129 Ca 0.12 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3ma4 h LEU 129 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ma4 h LEU 129 CO 0.02 0.65 -0.58 -0.08 0.09 0.00 0.00 178.44 178.54 3ma4 h GLU 130 N 1.11 0.19 -0.11 1.13 4.81 -1.27 -2.43 114.58 118.00 3ma4 h GLU 130 Ca 0.36 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 3ma4 h GLU 130 Cb 0.03 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3ma4 h GLU 130 CO -0.13 0.71 -0.58 -0.22 -0.73 0.00 0.00 179.01 178.06 3ma4 h LYS 131 N 0.14 0.37 -0.43 1.92 3.64 -0.79 -1.37 116.57 120.04 3ma4 h LYS 131 Ca -0.00 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 3ma4 h LYS 131 Cb 1.06 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3ma4 h LYS 131 CO 0.09 0.85 0.08 0.78 -2.27 0.00 0.00 179.45 178.98 3ma4 h GLY 132 N 1.29 0.76 0.89 5.01 0.00 -0.94 0.26 103.07 110.35 3ma4 h GLY 132 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3ma4 h GLY 132 CO 0.10 0.46 -0.10 -2.00 0.00 0.00 0.00 176.54 175.00 3ma4 h LEU 133 N 0.57 -0.24 -0.74 3.11 5.85 -1.32 -2.06 115.31 120.48 3ma4 h LEU 133 Ca 0.13 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.92 3ma4 h LEU 133 Cb 0.36 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 3ma4 h LEU 133 CO 0.01 -0.08 0.26 -0.07 -0.34 0.00 0.00 178.44 178.22 3ma4 h LEU 134 N -0.40 0.20 -0.41 2.25 3.38 -1.05 -1.74 115.31 117.54 3ma4 h LEU 134 Ca -0.03 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ma4 h LEU 134 Cb 0.30 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ma4 h LEU 134 CO 0.05 0.06 0.11 0.11 0.09 0.00 0.00 178.44 178.86 3ma4 h LYS 135 N 0.39 0.66 -0.92 1.13 1.57 -0.26 -0.53 116.57 118.61 3ma4 h LYS 135 Ca 0.41 -0.15 0.16 0.00 -1.87 0.00 0.00 60.65 59.19 3ma4 h LYS 135 Cb 0.64 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 3ma4 h LYS 135 CO -0.43 0.67 0.59 0.00 -0.57 0.00 0.00 179.45 179.71 3ma4 h ALA 136 N 0.96 1.85 -0.21 3.86 0.00 -1.12 -0.43 119.26 124.17 3ma4 h ALA 136 Ca 0.13 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3ma4 h ALA 136 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ma4 h ALA 136 CO -0.00 -0.12 -0.61 -0.07 0.00 0.00 0.00 179.25 178.45 3ma4 h LEU 137 N 0.68 0.80 -0.45 0.00 3.38 -0.53 -2.19 115.31 117.00 3ma4 h LEU 137 Ca 0.48 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3ma4 h LEU 137 Cb 0.80 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3ma4 h LEU 137 CO -0.23 1.22 -0.22 0.50 0.09 0.00 0.00 178.44 179.80 3ma4 h LYS 138 N 0.53 0.95 -0.68 1.13 1.63 0.05 0.59 116.57 120.77 3ma4 h LYS 138 Ca -0.00 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.40 3ma4 h LYS 138 Cb 1.20 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.76 3ma4 h LYS 138 CO 0.12 1.08 0.43 0.28 -3.45 0.00 0.00 179.45 177.92 3ma4 h VAL 139 N 0.79 1.11 0.12 2.00 2.07 -0.97 0.44 116.25 121.81 3ma4 h VAL 139 Ca 0.10 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3ma4 h VAL 139 Cb 0.80 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3ma4 h VAL 139 CO 0.07 0.16 -0.36 0.25 0.02 0.00 0.00 177.57 177.70 3ma4 h LEU 140 N 0.85 -1.06 -0.85 2.57 5.85 -0.70 -2.02 115.31 119.95 3ma4 h LEU 140 Ca 0.27 0.12 0.21 0.00 0.84 0.00 0.00 57.88 59.32 3ma4 h LEU 140 Cb -0.01 0.40 -0.15 0.00 0.37 0.00 0.00 40.66 41.27 3ma4 h LEU 140 CO -0.10 -0.45 -0.01 -0.78 -0.34 0.00 0.00 178.44 176.77 3ma4 h ASP 141 N -0.60 -0.44 0.74 1.25 3.58 0.68 -0.79 116.42 120.85 3ma4 h ASP 141 Ca 0.03 0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 3ma4 h ASP 141 Cb 0.63 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 3ma4 h ASP 141 CO -0.22 -0.25 -0.11 0.78 -2.88 0.00 0.00 179.24 176.57 3ma4 h ASN 142 N 0.07 0.00 0.05 2.28 2.35 0.58 -1.53 115.58 119.37 3ma4 h ASN 142 Ca 0.48 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.99 3ma4 h ASN 142 Cb 0.88 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.26 3ma4 h ASN 142 CO -0.78 0.11 -0.89 0.22 -1.65 0.00 0.00 177.43 174.44 3ma4 h TYR 143 N 0.00 0.91 0.00 1.19 3.20 -0.69 -1.17 116.97 120.41 3ma4 h TYR 143 Ca -0.00 -0.45 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 3ma4 h TYR 143 Cb 0.51 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3ma4 h TYR 143 CO 0.00 1.27 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.54 3ma4 h LEU 144 N 0.40 0.00 -1.43 2.82 3.38 -0.68 -2.45 115.31 117.35 3ma4 h LEU 144 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ma4 h LEU 144 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3ma4 h LEU 144 CO 0.17 0.18 -0.03 0.35 0.09 0.00 0.00 178.44 179.21 3ma4 n THR 145 N -3.51 0.00 -2.65 0.22 -2.24 -0.64 -4.87 114.28 100.60 3ma4 n THR 145 Ca -0.01 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3ma4 n THR 145 Cb 0.34 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 3ma4 n THR 145 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ma4 s SER 146 N -1.15 7.28 0.36 3.42 0.01 -0.45 -5.01 113.70 118.17 3ma4 s SER 146 Ca 0.15 1.70 -0.28 0.00 1.31 0.00 0.00 55.95 58.83 3ma4 s SER 146 Cb 0.11 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.65 3ma4 s SER 146 CO 0.18 -0.35 1.34 -2.65 0.41 0.00 0.00 173.24 172.17 3ma4 n PRO 147 N 4.21 2.25 -3.15 12.44 -0.02 -1.26 -4.98 135.00 144.48 3ma4 n PRO 147 Ca 0.07 0.79 -0.22 0.00 -2.02 0.00 0.00 63.50 62.12 3ma4 n PRO 147 Cb 0.50 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3ma4 n PRO 147 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ma4 s LEU 148 N -1.40 3.77 0.00 2.45 1.43 -1.26 -5.18 118.68 118.48 3ma4 s LEU 148 Ca 0.56 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3ma4 s LEU 148 Cb -0.53 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3ma4 s LEU 148 CO 0.62 -0.59 0.00 -2.65 0.23 0.00 0.00 176.35 173.96 3ma4 n PRO 149 N -1.94 0.00 0.00 1.29 -0.02 -1.26 -5.20 135.00 127.88 3ma4 n PRO 149 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ma4 n PRO 149 Cb 0.58 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3ma4 n PRO 149 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3ma4 n ARG 165 N -0.16 0.00 0.09 -0.52 1.85 -1.26 -5.16 116.66 111.50 3ma4 n ARG 165 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 3ma4 n ARG 165 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 3ma4 n ARG 165 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3ma4 h LYS 166 N 0.00 0.41 0.00 2.89 1.57 -1.86 -3.49 116.57 116.10 3ma4 h LYS 166 Ca 0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3ma4 h LYS 166 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3ma4 h LYS 166 CO 0.00 1.24 0.00 1.19 -0.57 0.00 0.00 179.45 181.31 3ma4 n PHE 167 N -3.67 0.00 -0.12 -1.35 3.72 -0.35 -4.52 117.46 111.16 3ma4 n PHE 167 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 3ma4 n PHE 167 Cb 0.96 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.48 3ma4 n PHE 167 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ma4 h LEU 168 N 0.00 0.63 -1.45 4.37 3.38 -1.94 -3.28 115.31 117.02 3ma4 h LEU 168 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3ma4 h LEU 168 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ma4 h LEU 168 CO 0.00 0.79 0.00 -0.67 0.09 0.00 0.00 178.44 178.65 3ma4 n ASP 169 N -4.48 1.81 0.00 -0.43 2.03 -1.26 -4.91 116.55 109.30 3ma4 n ASP 169 Ca -0.02 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 53.88 3ma4 n ASP 169 Cb 0.28 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 3ma4 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ma4 n GLY 170 N 0.49 0.02 0.96 0.27 0.00 -1.24 -4.80 105.19 100.89 3ma4 n GLY 170 Ca 0.05 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.82 3ma4 n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ma4 n ASN 171 N 0.00 2.95 -4.58 1.61 3.02 -1.26 -1.22 115.26 115.78 3ma4 n ASN 171 Ca 0.00 -1.94 -0.27 0.00 -0.03 0.00 0.00 54.58 52.34 3ma4 n ASN 171 Cb 0.00 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 3ma4 n ASN 171 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ma4 s GLU 172 N -1.81 2.10 0.26 3.52 0.41 -1.26 -4.82 118.70 117.10 3ma4 s GLU 172 Ca 0.33 -1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 3ma4 s GLU 172 Cb 0.21 -2.21 -0.09 0.00 -1.78 0.00 0.00 34.13 30.26 3ma4 s GLU 172 CO 0.31 0.45 1.10 -0.51 -0.49 0.00 0.00 175.26 176.12 3ma4 s LEU 173 N -2.69 4.55 0.45 1.80 1.43 -1.26 -4.70 118.68 118.25 3ma4 s LEU 173 Ca 0.24 2.23 0.05 0.00 -1.03 0.00 0.00 54.13 55.62 3ma4 s LEU 173 Cb -0.09 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 3ma4 s LEU 173 CO 0.15 -0.15 0.03 0.42 0.23 0.00 0.00 176.35 177.04 3ma4 s THR 174 N -0.99 1.75 0.63 5.49 -4.23 -1.26 -4.97 115.64 112.05 3ma4 s THR 174 Ca 0.45 -1.96 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 3ma4 s THR 174 Cb -0.31 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.16 3ma4 s THR 174 CO 0.40 0.00 1.88 -0.07 -0.54 0.00 0.00 174.62 176.29 3ma4 h LEU 175 N 1.57 0.00 -0.25 4.79 3.38 -1.57 -0.77 115.31 122.45 3ma4 h LEU 175 Ca -0.44 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.32 3ma4 h LEU 175 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ma4 h LEU 175 CO 0.77 0.00 -0.78 0.00 0.09 0.00 0.00 178.44 178.52 3ma4 h ALA 176 N 1.36 0.42 -0.31 1.53 0.00 -1.87 -2.78 119.26 117.61 3ma4 h ALA 176 Ca 0.11 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3ma4 h ALA 176 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ma4 h ALA 176 CO -0.00 0.73 -0.12 -0.44 0.00 0.00 0.00 179.25 179.41 3ma4 h ASP 177 N 0.41 0.65 -0.75 0.00 3.32 -1.49 -2.32 116.42 116.23 3ma4 h ASP 177 Ca -0.05 -0.39 0.17 0.00 0.02 0.00 0.00 57.03 56.78 3ma4 h ASP 177 Cb 1.39 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3ma4 h ASP 177 CO 0.15 0.90 0.51 0.00 -1.72 0.00 0.00 179.24 179.07 3ma4 h ASN 179 N 0.30 0.67 0.00 0.00 -1.24 -1.26 -3.38 115.58 110.67 3ma4 h ASN 179 Ca 0.37 -0.93 -0.06 0.00 0.71 0.00 0.00 56.30 56.39 3ma4 h ASN 179 Cb 1.01 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.84 3ma4 h ASN 179 CO -0.10 1.60 -0.24 0.25 -1.29 0.00 0.00 177.43 177.65 3ma4 h LEU 180 N -0.07 0.20 -0.28 0.34 5.85 -1.19 -3.34 115.31 116.82 3ma4 h LEU 180 Ca -0.22 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 57.77 3ma4 h LEU 180 Cb 1.95 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.84 3ma4 h LEU 180 CO 0.21 0.97 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.85 3ma4 h LEU 181 N -0.54 -1.18 -2.06 2.25 3.38 -1.33 0.38 115.31 116.22 3ma4 h LEU 181 Ca -0.03 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3ma4 h LEU 181 Cb 1.01 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 3ma4 h LEU 181 CO 0.05 -0.36 0.28 -0.65 0.09 0.00 0.00 178.44 177.85 3ma4 h PRO 182 N -0.35 0.00 0.12 1.13 0.11 -1.75 0.26 132.00 131.53 3ma4 h PRO 182 Ca 0.13 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.89 3ma4 h PRO 182 Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3ma4 h PRO 182 CO -0.47 0.00 -1.83 0.87 -0.21 0.00 0.00 178.00 176.36 3ma4 h LYS 183 N 0.00 0.26 -0.69 1.05 1.57 -0.52 -3.03 116.57 115.22 3ma4 h LYS 183 Ca 0.16 -0.45 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 3ma4 h LYS 183 Cb 0.72 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 3ma4 h LYS 183 CO -0.00 1.14 0.37 -0.07 -0.57 0.00 0.00 179.45 180.32 3ma4 h LEU 184 N 0.07 0.54 -0.04 2.94 3.38 0.16 -2.61 115.31 119.75 3ma4 h LEU 184 Ca -0.36 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3ma4 h LEU 184 Cb 2.05 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 3ma4 h LEU 184 CO 0.12 0.34 -0.42 -0.74 0.09 0.00 0.00 178.44 177.83 3ma4 h HIS 185 N 0.67 -1.20 -0.73 1.13 2.76 -0.53 -0.75 115.15 116.51 3ma4 h HIS 185 Ca 0.32 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.69 3ma4 h HIS 185 Cb 0.24 0.53 -0.12 0.00 1.55 0.00 0.00 27.41 29.60 3ma4 h HIS 185 CO -0.08 -0.49 0.05 0.82 -1.30 0.00 0.00 177.93 176.93 3ma4 h ILE 186 N -0.55 0.41 0.71 6.26 2.04 -1.53 -0.73 117.51 124.11 3ma4 h ILE 186 Ca 0.05 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3ma4 h ILE 186 Cb 0.65 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3ma4 h ILE 186 CO -0.34 0.03 -0.43 0.58 0.00 0.00 0.00 178.15 177.98 3ma4 h VAL 187 N 0.14 0.12 -0.90 1.67 2.07 -0.96 -0.52 116.25 117.89 3ma4 h VAL 187 Ca 0.40 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.09 3ma4 h VAL 187 Cb 0.70 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 3ma4 h VAL 187 CO -0.60 0.00 0.48 1.56 0.02 0.00 0.00 177.57 179.02 3ma4 h GLN 188 N -1.07 0.61 -0.21 1.57 4.20 -0.84 -1.64 115.11 117.74 3ma4 h GLN 188 Ca -0.09 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 3ma4 h GLN 188 Cb 0.87 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3ma4 h GLN 188 CO 0.09 0.40 -0.48 0.28 -0.67 0.00 0.00 178.83 178.46 3ma4 h VAL 189 N 0.63 1.31 -0.01 -0.54 2.07 -0.00 -2.74 116.25 116.97 3ma4 h VAL 189 Ca 0.51 -1.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 3ma4 h VAL 189 Cb 0.78 1.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3ma4 h VAL 189 CO -0.39 0.53 -0.31 0.58 0.02 0.00 0.00 177.57 178.00 3ma4 h VAL 190 N 0.39 1.52 -0.97 2.57 2.07 -1.07 -2.56 116.25 118.20 3ma4 h VAL 190 Ca -0.00 -1.95 0.11 0.00 0.82 0.00 0.00 66.70 65.68 3ma4 h VAL 190 Cb 1.09 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 33.49 3ma4 h VAL 190 CO 0.10 0.54 0.62 0.00 0.02 0.00 0.00 177.57 178.85 3ma4 h LYS 192 N 0.95 0.78 -0.24 0.00 1.57 -1.33 -0.65 116.57 117.66 3ma4 h LYS 192 Ca 0.47 -0.44 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3ma4 h LYS 192 Cb 0.47 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3ma4 h LYS 192 CO -0.23 1.07 -0.47 -0.22 -0.57 0.00 0.00 179.45 179.03 3ma4 h LYS 193 N 0.54 0.62 0.00 3.15 1.63 -1.08 -3.28 116.57 118.16 3ma4 h LYS 193 Ca 0.04 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3ma4 h LYS 193 Cb 0.97 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3ma4 h LYS 193 CO 0.09 0.96 0.00 0.66 -3.45 0.00 0.00 179.45 177.71 3ma4 n TYR 194 N -4.00 0.00 -0.38 1.91 4.01 -0.61 -4.74 117.16 113.35 3ma4 n TYR 194 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3ma4 n TYR 194 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 3ma4 n TYR 194 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ma4 n ARG 195 N -0.65 0.81 -2.72 -0.72 5.12 -0.33 -4.91 116.66 113.26 3ma4 n ARG 195 Ca 0.00 -0.11 -0.20 0.00 -1.93 0.00 0.00 57.85 55.61 3ma4 n ARG 195 Cb 0.01 -0.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.84 3ma4 n ARG 195 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ma4 n GLY 196 N 0.15 -0.40 3.71 -0.13 0.00 -0.72 -4.97 105.19 102.83 3ma4 n GLY 196 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3ma4 n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ma4 s PHE 197 N -3.05 3.35 0.06 1.61 5.36 -1.06 -5.01 117.98 119.24 3ma4 s PHE 197 Ca 0.17 0.23 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 3ma4 s PHE 197 Cb -0.08 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 3ma4 s PHE 197 CO 0.21 0.33 -0.13 0.95 -1.46 0.00 0.00 175.22 175.13 3ma4 s THR 198 N -0.04 1.00 0.41 0.12 -4.23 -1.26 -3.66 115.64 107.98 3ma4 s THR 198 Ca 0.08 -1.15 -0.27 0.00 -1.18 0.00 0.00 61.69 59.17 3ma4 s THR 198 Cb -0.12 -0.96 -0.10 0.00 1.34 0.00 0.00 72.50 72.67 3ma4 s THR 198 CO 0.01 -0.17 1.47 -0.38 -0.54 0.00 0.00 174.62 175.00 3ma4 n ILE 199 N 1.54 2.39 -2.18 2.99 5.41 -1.26 -4.89 119.36 123.37 3ma4 n ILE 199 Ca -0.20 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.64 3ma4 n ILE 199 Cb 0.54 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 3ma4 n ILE 199 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3ma4 s PRO 200 N -2.28 4.39 0.61 0.38 0.02 -1.26 -4.83 135.00 132.04 3ma4 s PRO 200 Ca 0.57 2.12 0.30 0.00 0.02 0.00 0.00 61.00 64.02 3ma4 s PRO 200 Cb -0.46 -3.13 1.68 0.00 0.02 0.00 0.00 34.50 32.61 3ma4 s PRO 200 CO 0.61 -0.18 2.04 0.93 -0.33 0.00 0.00 177.00 180.06 3ma4 h GLU 201 N 4.26 0.00 -0.03 5.54 4.39 -2.04 -2.07 114.58 124.63 3ma4 h GLU 201 Ca -0.47 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.24 3ma4 h GLU 201 Cb 1.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3ma4 h GLU 201 CO 0.71 0.00 0.02 0.00 -1.16 0.00 0.00 179.01 178.58 3ma4 h ALA 202 N 1.62 2.00 -0.78 3.43 0.00 -2.02 -3.33 119.26 120.18 3ma4 h ALA 202 Ca 0.09 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.40 3ma4 h ALA 202 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3ma4 h ALA 202 CO -0.00 -0.03 1.95 -0.06 0.00 0.00 0.00 179.25 181.10 3ma4 s PHE 203 N -5.05 2.59 0.17 0.00 0.40 -0.78 -4.74 117.98 110.57 3ma4 s PHE 203 Ca -0.05 -1.15 -0.09 0.00 -0.60 0.00 0.00 56.93 55.03 3ma4 s PHE 203 Cb 0.17 -4.59 0.03 0.00 0.51 0.00 0.00 43.02 39.14 3ma4 s PHE 203 CO 0.67 -1.68 1.56 0.00 0.70 0.00 0.00 175.22 176.47 3ma4 h ARG 204 N 8.08 0.96 -0.28 0.44 2.47 -1.86 -2.10 114.38 122.09 3ma4 h ARG 204 Ca 0.39 -0.42 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3ma4 h ARG 204 Cb 0.89 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 3ma4 h ARG 204 CO 1.41 1.08 -0.16 0.41 0.56 0.00 0.00 179.97 183.27 3ma4 n GLY 205 N -0.11 -2.82 0.35 0.04 0.00 -1.26 -1.00 105.19 100.39 3ma4 n GLY 205 Ca -0.00 0.72 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 3ma4 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ma4 h VAL 206 N 0.00 1.17 -0.12 1.61 2.07 -1.83 0.50 116.25 119.66 3ma4 h VAL 206 Ca 0.04 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 3ma4 h VAL 206 Cb 0.11 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3ma4 h VAL 206 CO -0.26 0.22 -0.53 0.45 0.02 0.00 0.00 177.57 177.46 3ma4 h HIS 207 N 1.19 0.76 -0.77 1.57 -0.00 -1.25 -0.76 115.15 115.89 3ma4 h HIS 207 Ca 0.36 -0.33 0.10 0.00 -0.00 0.00 0.00 60.37 60.51 3ma4 h HIS 207 Cb -0.03 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.19 3ma4 h HIS 207 CO -0.01 1.12 0.40 0.00 -0.00 0.00 0.00 177.93 179.44 3ma4 h ARG 208 N 0.19 0.64 -0.07 2.45 3.08 -0.78 0.29 114.38 120.18 3ma4 h ARG 208 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3ma4 h ARG 208 Cb 1.17 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3ma4 h ARG 208 CO 0.11 0.42 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.48 3ma4 h TYR 209 N 0.66 0.17 -0.89 3.04 3.20 -0.81 -0.98 116.97 121.37 3ma4 h TYR 209 Ca 0.39 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.23 3ma4 h TYR 209 Cb 0.42 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 3ma4 h TYR 209 CO -0.09 0.51 0.59 -0.07 -1.64 0.00 0.00 178.16 177.46 3ma4 h LEU 210 N -0.22 1.01 -0.56 2.82 3.38 -0.95 -1.24 115.31 119.55 3ma4 h LEU 210 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ma4 h LEU 210 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3ma4 h LEU 210 CO 0.01 0.72 0.34 -1.28 0.09 0.00 0.00 178.44 178.32 3ma4 h SER 211 N 1.19 0.68 0.96 -0.43 0.87 0.12 -1.18 113.55 115.76 3ma4 h SER 211 Ca 0.33 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 3ma4 h SER 211 Cb -0.11 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 3ma4 h SER 211 CO -0.08 0.54 -0.80 0.78 -0.53 0.00 0.00 176.83 176.74 3ma4 h ASN 212 N 0.76 0.00 -0.03 6.23 2.35 -0.92 -3.19 115.58 120.78 3ma4 h ASN 212 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3ma4 h ASN 212 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3ma4 h ASN 212 CO -0.04 0.80 -0.09 0.00 -1.65 0.00 0.00 177.43 176.46 3ma4 h ALA 213 N 1.20 0.05 -0.56 -0.83 0.00 -0.87 -3.17 119.26 115.08 3ma4 h ALA 213 Ca -0.01 -0.34 0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ma4 h ALA 213 Cb 1.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3ma4 h ALA 213 CO 0.10 -0.08 0.57 1.88 0.00 0.00 0.00 179.25 181.73 3ma4 h TYR 214 N -0.46 0.00 -0.00 0.00 0.05 -1.27 -1.47 116.97 113.81 3ma4 h TYR 214 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ma4 h TYR 214 Cb 0.71 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.45 3ma4 h TYR 214 CO 0.14 0.00 -0.06 0.00 -1.05 0.00 0.00 178.16 177.19 3ma4 n ALA 215 N -2.39 2.69 -2.97 3.88 0.00 -1.20 -4.67 120.51 115.85 3ma4 n ALA 215 Ca 0.11 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 3ma4 n ALA 215 Cb 0.78 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 3ma4 n ALA 215 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ma4 s ARG 216 N -2.34 3.74 0.57 0.00 1.81 -0.55 -5.00 118.95 117.19 3ma4 s ARG 216 Ca 0.34 -0.45 0.27 0.00 -1.72 0.00 0.00 55.73 54.17 3ma4 s ARG 216 Cb 0.21 -3.25 1.53 0.00 -0.45 0.00 0.00 34.95 32.98 3ma4 s ARG 216 CO 0.44 -0.02 2.03 1.05 -0.68 0.00 0.00 175.30 178.12 3ma4 h GLU 217 N 7.67 0.00 -0.34 3.54 4.11 -1.86 -0.32 114.58 127.38 3ma4 h GLU 217 Ca -0.37 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.99 3ma4 h GLU 217 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3ma4 h GLU 217 CO 0.61 0.00 -0.09 0.93 0.07 0.00 0.00 179.01 180.54 3ma4 h GLU 218 N 0.00 0.56 0.00 1.06 3.07 -1.94 -0.42 114.58 116.91 3ma4 h GLU 218 Ca 0.15 -0.15 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 3ma4 h GLU 218 Cb 0.75 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 3ma4 h GLU 218 CO -0.00 0.65 -1.17 0.35 -1.40 0.00 0.00 179.01 177.44 3ma4 h PHE 219 N 0.52 0.00 -0.30 4.33 3.57 -1.78 -3.37 116.94 119.92 3ma4 h PHE 219 Ca 0.10 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3ma4 h PHE 219 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3ma4 h PHE 219 CO 0.02 1.45 0.03 0.00 -2.23 0.00 0.00 178.31 177.58 3ma4 h ALA 220 N -0.46 0.40 0.00 2.41 0.00 -0.86 -2.36 119.26 118.39 3ma4 h ALA 220 Ca -0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ma4 h ALA 220 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ma4 h ALA 220 CO -0.20 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.60 3ma4 n SER 221 N -4.61 0.20 -0.00 0.00 7.64 -0.18 -2.60 113.62 114.06 3ma4 n SER 221 Ca -0.02 0.53 0.09 0.00 1.01 0.00 0.00 58.87 60.48 3ma4 n SER 221 Cb 0.23 -0.58 -0.12 0.00 -1.01 0.00 0.00 64.21 62.73 3ma4 n SER 221 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ma4 n THR 222 N -1.70 0.00 -2.11 0.44 -2.24 -0.93 -4.99 114.28 102.75 3ma4 n THR 222 Ca 0.05 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.30 3ma4 n THR 222 Cb 0.27 0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3ma4 n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ma4 n PRO 224 N 2.30 0.37 -1.67 0.00 -0.02 -1.26 -4.95 135.00 129.76 3ma4 n PRO 224 Ca 0.06 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3ma4 n PRO 224 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3ma4 n PRO 224 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ma4 n ASP 225 N -1.55 2.27 -0.37 2.55 8.00 -1.26 -4.87 116.55 121.32 3ma4 n ASP 225 Ca 0.12 1.13 0.29 0.00 0.71 0.00 0.00 54.79 57.05 3ma4 n ASP 225 Cb 0.50 -1.45 0.59 0.00 -0.02 0.00 0.00 41.12 40.73 3ma4 n ASP 225 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3ma4 h ASP 226 N 2.13 0.33 -0.01 -2.24 5.19 -2.00 -1.97 116.42 117.85 3ma4 h ASP 226 Ca -0.46 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 55.89 3ma4 h ASP 226 Cb 1.30 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 3ma4 h ASP 226 CO 0.60 -0.02 -0.51 -0.08 -3.12 0.00 0.00 179.24 176.12 3ma4 h GLU 227 N 0.24 0.58 -0.87 3.56 4.81 -1.99 -1.99 114.58 118.93 3ma4 h GLU 227 Ca 0.67 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3ma4 h GLU 227 Cb 1.98 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 31.34 3ma4 h GLU 227 CO -0.30 0.95 0.53 0.93 -0.73 0.00 0.00 179.01 180.38 3ma4 h GLU 228 N 0.45 1.17 -0.08 1.92 4.39 -1.72 0.37 114.58 121.07 3ma4 h GLU 228 Ca 0.02 -0.10 -0.23 0.00 0.34 0.00 0.00 59.36 59.39 3ma4 h GLU 228 Cb 1.04 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3ma4 h GLU 228 CO 0.10 0.81 -0.86 0.82 -1.16 0.00 0.00 179.01 178.72 3ma4 h ILE 229 N 1.19 1.31 -0.14 3.13 2.04 -1.39 -2.35 117.51 121.30 3ma4 h ILE 229 Ca 0.31 -2.12 -0.17 0.00 1.00 0.00 0.00 64.86 63.88 3ma4 h ILE 229 Cb -0.07 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3ma4 h ILE 229 CO -0.06 0.66 -0.61 -0.33 0.00 0.00 0.00 178.15 177.81 3ma4 h GLU 230 N 0.43 0.49 -0.28 2.37 5.08 -0.84 -2.72 114.58 119.11 3ma4 h GLU 230 Ca -0.07 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 3ma4 h GLU 230 Cb 1.49 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 3ma4 h GLU 230 CO 0.17 0.95 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.88 3ma4 h LEU 231 N 0.36 0.50 -1.56 1.33 3.38 -0.27 -1.51 115.31 117.55 3ma4 h LEU 231 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ma4 h LEU 231 Cb 1.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ma4 h LEU 231 CO 0.11 0.70 0.05 0.00 0.09 0.00 0.00 178.44 179.38 3ma4 h ALA 232 N 1.35 1.65 0.00 1.53 0.00 -1.11 -3.10 119.26 119.58 3ma4 h ALA 232 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ma4 h ALA 232 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ma4 h ALA 232 CO 0.04 0.27 -0.76 0.66 0.00 0.00 0.00 179.25 179.46 3ma4 n TYR 233 N -4.39 0.00 -0.34 0.00 4.01 -1.11 -4.66 117.16 110.67 3ma4 n TYR 233 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 3ma4 n TYR 233 Cb 0.16 -0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.58 3ma4 n TYR 233 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3ma4 h GLU 234 N 0.00 0.56 -0.21 -0.72 4.81 -1.20 0.09 114.58 117.92 3ma4 h GLU 234 Ca 0.00 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 3ma4 h GLU 234 Cb 0.38 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ma4 h GLU 234 CO 0.00 0.37 -0.66 0.37 -0.73 0.00 0.00 179.01 178.36 3ma4 h GLN 235 N 0.57 0.78 0.20 1.92 4.15 -1.83 -3.26 115.11 117.65 3ma4 h GLN 235 Ca 0.64 -0.56 -0.33 0.00 0.77 0.00 0.00 58.65 59.16 3ma4 h GLN 235 Cb 1.24 0.09 0.02 0.00 0.21 0.00 0.00 27.48 29.04 3ma4 h GLN 235 CO -0.46 1.19 -1.57 -0.39 -1.93 0.00 0.00 178.83 175.66 3ma4 h VAL 236 N 0.57 1.16 -1.81 2.39 -1.51 -1.70 -3.43 116.25 111.92 3ma4 h VAL 236 Ca -0.02 -2.68 -0.51 0.00 -1.23 0.00 0.00 66.70 62.26 3ma4 h VAL 236 Cb 1.27 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 33.33 3ma4 h VAL 236 CO 0.14 0.84 1.55 0.00 -1.23 0.00 0.00 177.57 178.87 3ma4 s ALA 237 N -2.60 2.07 0.37 5.19 0.00 -0.05 -4.58 121.76 122.16 3ma4 s ALA 237 Ca -0.11 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3ma4 s ALA 237 Cb 0.05 -4.24 0.06 0.00 0.00 0.00 0.00 23.12 18.98 3ma4 s ALA 237 CO 0.90 -3.82 0.43 1.63 0.00 0.00 0.00 175.76 174.90 3ma4 n LYS 238 N 8.92 0.64 -4.33 0.00 4.76 -1.23 -4.90 118.16 122.01 3ma4 n LYS 238 Ca 0.33 -1.51 -0.19 0.00 -2.87 0.00 0.00 58.31 54.07 3ma4 n LYS 238 Cb 0.51 -0.18 -0.15 0.00 -1.84 0.00 0.00 35.03 33.37 3ma4 n LYS 238 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ma4 s ALA 239 N -2.53 0.75 -0.24 7.82 0.00 -1.26 -5.00 121.76 121.30 3ma4 s ALA 239 Ca 0.31 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.64 3ma4 s ALA 239 Cb -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 3ma4 s ALA 239 CO 0.20 0.14 2.16 1.28 0.00 0.00 0.00 175.76 179.54 3ma4 n LEU 240 N 3.14 2.89 0.00 0.00 4.32 -1.26 -4.97 117.00 121.12 3ma4 n LEU 240 Ca -0.16 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 3ma4 n LEU 240 Cb 0.55 -1.42 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 3ma4 n LEU 240 CO 0.25 -0.60 0.00 2.29 -1.22 0.00 0.00 177.39 178.11