#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w1x s VAL 2 N 0.00 5.03 0.47 3.15 1.01 -1.26 -0.52 120.40 128.28 2w1x s VAL 2 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 2w1x s VAL 2 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2w1x s VAL 2 CO 0.00 -0.18 1.00 -0.36 0.00 0.00 0.00 175.10 175.56 2w1x s PHE 3 N 1.65 3.14 0.68 5.22 0.40 -0.34 -4.99 117.98 123.74 2w1x s PHE 3 Ca 0.05 1.58 -0.11 0.00 -0.60 0.00 0.00 56.93 57.85 2w1x s PHE 3 Cb -0.18 -2.96 -0.00 0.00 0.51 0.00 0.00 43.02 40.38 2w1x s PHE 3 CO 0.09 -0.54 1.05 0.20 0.70 0.00 0.00 175.22 176.72 2w1x s GLY 4 N -2.17 1.67 0.09 4.36 0.00 -1.26 -4.84 107.32 105.18 2w1x s GLY 4 Ca 0.65 0.05 -0.32 0.00 0.00 0.00 0.00 44.72 45.10 2w1x s GLY 4 CO 0.19 0.35 1.61 -0.09 0.00 0.00 0.00 173.10 175.16 2w1x h ARG 5 N -0.61 -0.77 -0.25 2.90 2.43 -1.97 0.11 114.38 116.22 2w1x h ARG 5 Ca -0.44 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 2w1x h ARG 5 Cb 1.21 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2w1x h ARG 5 CO 0.58 -0.51 -0.25 0.00 -1.51 0.00 0.00 179.97 178.27 2w1x h GLU 7 N 0.42 0.36 -0.49 0.00 4.81 -1.90 -0.45 114.58 117.32 2w1x h GLU 7 Ca 0.06 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2w1x h GLU 7 Cb 0.67 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2w1x h GLU 7 CO 0.05 0.24 0.02 1.25 -0.73 0.00 0.00 179.01 179.84 2w1x h LEU 8 N 0.38 0.84 -0.44 1.64 5.85 -0.80 -1.92 115.31 120.85 2w1x h LEU 8 Ca 0.14 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2w1x h LEU 8 Cb 0.02 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.75 2w1x h LEU 8 CO -0.08 0.93 -0.05 0.00 -0.34 0.00 0.00 178.44 178.90 2w1x h ALA 9 N 0.94 0.36 -0.58 1.25 0.00 -0.99 0.99 119.26 121.22 2w1x h ALA 9 Ca 0.14 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2w1x h ALA 9 Cb 0.49 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2w1x h ALA 9 CO 0.02 -0.42 0.38 0.00 0.00 0.00 0.00 179.25 179.23 2w1x h ALA 10 N 1.42 0.74 -0.45 0.00 0.00 -0.90 -1.11 119.26 118.96 2w1x h ALA 10 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2w1x h ALA 10 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2w1x h ALA 10 CO -0.41 0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.00 2w1x h ALA 11 N 1.22 0.61 -0.53 0.00 0.00 -0.75 -0.51 119.26 119.30 2w1x h ALA 11 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2w1x h ALA 11 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2w1x h ALA 11 CO -0.06 0.39 0.23 0.52 0.00 0.00 0.00 179.25 180.33 2w1x h MET 12 N 0.64 0.77 -0.46 0.00 2.86 -0.64 -1.23 114.93 116.88 2w1x h MET 12 Ca 0.13 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2w1x h MET 12 Cb 0.48 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2w1x h MET 12 CO 0.02 0.66 0.21 -0.22 1.06 0.00 0.00 176.91 178.64 2w1x h LYS 13 N 0.71 0.66 -0.56 1.72 3.64 -1.10 -0.82 116.57 120.82 2w1x h LYS 13 Ca 0.18 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2w1x h LYS 13 Cb 0.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2w1x h LYS 13 CO -0.02 0.57 0.37 -0.09 -2.27 0.00 0.00 179.45 178.02 2w1x h ARG 14 N 0.59 0.70 -0.53 1.90 2.43 -0.78 -1.06 114.38 117.63 2w1x h ARG 14 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2w1x h ARG 14 Cb 0.14 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2w1x h ARG 14 CO -0.02 0.46 0.00 0.72 -1.51 0.00 0.00 179.97 179.62 2w1x n HIS 15 N -4.46 0.70 -1.26 2.20 8.25 -0.49 -4.91 115.22 115.25 2w1x n HIS 15 Ca 0.06 -0.29 -0.03 0.00 -0.26 0.00 0.00 57.72 57.19 2w1x n HIS 15 Cb 0.08 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 2w1x n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2w1x n GLY 16 N 0.82 0.55 0.17 -1.41 0.00 -0.40 -4.92 105.19 100.00 2w1x n GLY 16 Ca 0.13 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.34 2w1x n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2w1x h LEU 17 N 0.00 0.00 -9.24 0.99 5.85 -1.35 -3.40 115.31 108.16 2w1x h LEU 17 Ca -0.06 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.10 2w1x h LEU 17 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2w1x h LEU 17 CO 0.09 0.14 1.03 -0.62 -0.34 0.00 0.00 178.44 178.73 2w1x s ASP 18 N -6.02 6.75 -1.24 1.25 -1.08 -1.26 -1.30 116.67 113.77 2w1x s ASP 18 Ca 0.04 2.08 0.00 0.00 -0.52 0.00 0.00 52.55 54.15 2w1x s ASP 18 Cb 0.07 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2w1x s ASP 18 CO 0.72 -0.87 0.00 0.59 0.52 0.00 0.00 175.17 176.13 2w1x n ASN 19 N 6.91 -5.32 -4.71 -0.34 3.02 -0.36 -4.90 115.26 109.57 2w1x n ASN 19 Ca 0.16 0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 2w1x n ASN 19 Cb 0.43 -3.85 -0.03 0.00 -0.61 0.00 0.00 39.78 35.73 2w1x n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2w1x s TYR 20 N -2.13 2.87 -1.29 3.10 5.04 -0.42 -1.22 117.35 123.29 2w1x s TYR 20 Ca 0.00 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 2w1x s TYR 20 Cb 0.00 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.36 2w1x s TYR 20 CO 0.00 -3.59 0.00 0.54 -1.34 0.00 0.00 175.55 171.16 2w1x n ARG 21 N 4.44 -1.80 -0.72 4.97 5.12 -1.26 -1.54 116.66 125.87 2w1x n ARG 21 Ca 0.14 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2w1x n ARG 21 Cb 0.39 -5.20 0.00 0.00 -1.16 0.00 0.00 32.46 26.49 2w1x n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2w1x n GLY 22 N -0.61 0.70 3.50 -0.13 0.00 -0.36 -5.02 105.19 103.27 2w1x n GLY 22 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2w1x n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w1x s TYR 23 N -2.38 3.17 0.87 1.61 2.02 -0.59 -4.91 117.35 117.14 2w1x s TYR 23 Ca 0.00 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.34 2w1x s TYR 23 Cb 0.00 -2.87 0.09 0.00 -0.40 0.00 0.00 41.96 38.79 2w1x s TYR 23 CO 0.00 -0.64 1.03 -1.13 -1.57 0.00 0.00 175.55 173.25 2w1x n SER 24 N 5.60 0.21 -0.35 2.29 3.41 -1.26 -1.22 113.62 122.30 2w1x n SER 24 Ca -0.07 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2w1x n SER 24 Cb 0.48 -1.44 0.29 0.00 -0.26 0.00 0.00 64.21 63.28 2w1x n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2w1x h LEU 25 N -1.34 0.85 -1.78 1.04 5.85 -1.90 -1.55 115.31 116.48 2w1x h LEU 25 Ca -0.45 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2w1x h LEU 25 Cb 1.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2w1x h LEU 25 CO 0.42 0.40 0.17 1.23 -0.34 0.00 0.00 178.44 180.32 2w1x h GLY 26 N 0.88 0.32 0.98 3.75 0.00 -1.91 -1.22 103.07 105.89 2w1x h GLY 26 Ca 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2w1x h GLY 26 CO -0.29 0.11 0.37 3.43 0.00 0.00 0.00 176.54 180.16 2w1x h ASN 27 N 0.31 0.63 -0.39 0.19 2.35 -1.51 -0.04 115.58 117.11 2w1x h ASN 27 Ca 0.10 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 2w1x h ASN 27 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2w1x h ASN 27 CO -0.02 0.45 -0.31 -0.50 -1.65 0.00 0.00 177.43 175.40 2w1x h TRP 28 N 0.74 1.07 -0.37 1.19 4.06 -1.28 -0.97 115.95 120.39 2w1x h TRP 28 Ca 0.21 -0.30 -0.07 0.00 2.06 0.00 0.00 58.89 60.79 2w1x h TRP 28 Cb -0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 2w1x h TRP 28 CO -0.04 1.11 -0.04 0.28 -3.56 0.00 0.00 178.44 176.19 2w1x h VAL 29 N 0.72 1.27 -0.13 1.49 2.07 -1.19 -1.52 116.25 118.95 2w1x h VAL 29 Ca 0.07 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.54 2w1x h VAL 29 Cb 0.90 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2w1x h VAL 29 CO 0.08 0.35 0.03 0.00 0.02 0.00 0.00 177.57 178.06 2w1x h ALA 31 N 1.09 0.22 -0.90 0.00 0.00 -1.10 -2.31 119.26 116.26 2w1x h ALA 31 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2w1x h ALA 31 Cb 0.04 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2w1x h ALA 31 CO -0.07 -0.44 0.57 0.00 0.00 0.00 0.00 179.25 179.31 2w1x h ALA 32 N 1.26 1.14 -0.24 0.00 0.00 -0.99 0.10 119.26 120.53 2w1x h ALA 32 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2w1x h ALA 32 Cb 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2w1x h ALA 32 CO -0.26 0.56 -0.18 -0.22 0.00 0.00 0.00 179.25 179.16 2w1x h LYS 33 N 1.22 -0.17 0.00 0.00 1.63 -0.51 -0.77 116.57 117.97 2w1x h LYS 33 Ca 0.33 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2w1x h LYS 33 Cb -0.10 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 2w1x h LYS 33 CO -0.07 -0.11 -0.58 0.74 -3.45 0.00 0.00 179.45 175.98 2w1x h PHE 34 N -0.18 0.00 0.05 1.91 0.04 -1.08 0.92 116.94 118.60 2w1x h PHE 34 Ca 0.14 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.74 2w1x h PHE 34 Cb 0.38 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.55 2w1x h PHE 34 CO -0.35 0.01 -0.67 0.93 -0.60 0.00 0.00 178.31 177.63 2w1x h GLU 35 N 0.00 0.36 0.00 1.51 4.39 -0.68 -3.43 114.58 116.74 2w1x h GLU 35 Ca -0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2w1x h GLU 35 Cb 1.01 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2w1x h GLU 35 CO 0.00 1.15 0.00 -1.13 -1.16 0.00 0.00 179.01 177.87 2w1x n SER 36 N -4.19 0.20 -3.13 1.42 3.41 -0.33 -4.85 113.62 106.15 2w1x n SER 36 Ca -0.12 -0.86 -0.22 0.00 -0.26 0.00 0.00 58.87 57.42 2w1x n SER 36 Cb 0.72 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 2w1x n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2w1x n ASN 37 N -0.04 -4.88 -0.39 4.04 5.15 0.32 -1.66 115.26 117.80 2w1x n ASN 37 Ca 0.00 -0.30 -0.05 0.00 -0.60 0.00 0.00 54.58 53.63 2w1x n ASN 37 Cb 0.16 -3.99 -0.02 0.00 -0.53 0.00 0.00 39.78 35.40 2w1x n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2w1x n PHE 38 N -4.17 0.00 -3.32 1.20 3.72 -1.19 -4.83 117.46 108.87 2w1x n PHE 38 Ca -0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.92 2w1x n PHE 38 Cb 0.58 -1.49 -0.09 0.00 -0.94 0.00 0.00 39.48 37.55 2w1x n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2w1x s ASN 39 N -2.44 6.25 0.58 4.37 3.84 -0.67 -1.20 114.94 125.67 2w1x s ASN 39 Ca 0.00 -0.14 0.35 0.00 0.21 0.00 0.00 52.86 53.28 2w1x s ASN 39 Cb 0.00 -2.23 1.72 0.00 -0.55 0.00 0.00 41.25 40.19 2w1x s ASN 39 CO 0.00 -0.41 2.13 0.71 -2.79 0.00 0.00 177.10 176.74 2w1x h THR 40 N 5.58 0.19 -0.08 -5.21 1.35 -1.13 -2.63 112.91 110.98 2w1x h THR 40 Ca -0.29 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2w1x h THR 40 Cb 1.13 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2w1x h THR 40 CO 0.73 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 2w1x n GLN 41 N -3.27 1.68 -1.72 4.72 6.02 -1.26 -4.10 117.38 119.46 2w1x n GLN 41 Ca -0.01 -1.01 -0.42 0.00 -0.01 0.00 0.00 57.00 55.55 2w1x n GLN 41 Cb 0.21 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 2w1x n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2w1x n ALA 42 N 0.22 2.70 -2.73 -1.58 0.00 -0.99 -4.78 120.51 113.35 2w1x n ALA 42 Ca 0.18 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.85 2w1x n ALA 42 Cb 0.34 -2.50 -0.14 0.00 0.00 0.00 0.00 19.45 17.15 2w1x n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w1x s THR 43 N 0.91 0.59 -0.07 0.00 -4.23 -1.26 -0.22 115.64 111.35 2w1x s THR 43 Ca 0.73 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2w1x s THR 43 Cb -0.51 -0.52 0.04 0.00 1.34 0.00 0.00 72.50 72.85 2w1x s THR 43 CO 0.36 0.07 0.16 0.20 -0.54 0.00 0.00 174.62 174.87 2w1x s ASN 44 N -0.42 -0.14 0.19 3.99 0.01 -0.67 -4.97 114.94 112.93 2w1x s ASN 44 Ca 0.01 0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 52.20 2w1x s ASN 44 Cb -0.04 0.23 -0.08 0.00 0.41 0.00 0.00 41.25 41.77 2w1x s ASN 44 CO -0.00 -0.15 0.96 -0.60 -1.51 0.00 0.00 177.10 175.80 2w1x s ARG 45 N 1.17 4.78 0.27 -0.60 6.06 -1.26 -0.58 118.95 128.78 2w1x s ARG 45 Ca -0.09 1.50 -0.04 0.00 -2.50 0.00 0.00 55.73 54.60 2w1x s ARG 45 Cb -0.11 -3.31 -0.05 0.00 0.06 0.00 0.00 34.95 31.54 2w1x s ARG 45 CO -0.06 0.37 0.51 -0.80 -2.50 0.00 0.00 175.30 172.82 2w1x s ASN 46 N -0.68 6.44 0.56 -2.12 0.02 0.10 -4.95 114.94 114.31 2w1x s ASN 46 Ca 0.44 0.65 0.24 0.00 -1.02 0.00 0.00 52.86 53.17 2w1x s ASN 46 Cb -0.25 -2.11 1.57 0.00 0.02 0.00 0.00 41.25 40.47 2w1x s ASN 46 CO 0.32 -0.15 2.17 0.71 0.02 0.00 0.00 177.10 180.16 2w1x h THR 47 N 1.42 0.70 -0.00 1.60 1.35 -1.97 -0.20 112.91 115.80 2w1x h THR 47 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2w1x h THR 47 Cb 1.19 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2w1x h THR 47 CO 0.67 0.00 -0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 2w1x n ASP 48 N -4.12 0.01 0.00 5.36 5.75 -1.26 -4.90 116.55 117.39 2w1x n ASP 48 Ca -0.01 -0.74 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 2w1x n ASP 48 Cb 0.17 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2w1x n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2w1x n GLY 49 N 1.09 0.87 3.77 6.12 0.00 -0.08 -5.01 105.19 111.94 2w1x n GLY 49 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2w1x n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w1x s SER 50 N -2.64 2.83 0.03 1.61 1.04 -1.26 -4.75 113.70 110.57 2w1x s SER 50 Ca 0.00 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.22 2w1x s SER 50 Cb 0.00 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.93 2w1x s SER 50 CO 0.00 -2.95 -0.08 -0.89 0.98 0.00 0.00 173.24 170.30 2w1x s THR 51 N -3.32 0.60 -0.13 2.02 2.01 -1.26 -0.72 115.64 114.83 2w1x s THR 51 Ca 0.67 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.79 2w1x s THR 51 Cb -0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2w1x s THR 51 CO 0.54 -0.17 0.11 -1.81 -0.69 0.00 0.00 174.62 172.60 2w1x s ASP 52 N -1.08 6.12 -0.08 3.53 1.01 0.25 -1.11 116.67 125.31 2w1x s ASP 52 Ca -0.04 0.35 0.04 0.00 0.71 0.00 0.00 52.55 53.61 2w1x s ASP 52 Cb -0.07 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2w1x s ASP 52 CO 0.00 0.35 -0.19 -0.31 0.21 0.00 0.00 175.17 175.24 2w1x s TYR 53 N -0.70 2.07 0.00 4.23 1.51 0.29 -1.67 117.35 123.09 2w1x s TYR 53 Ca 0.13 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 2w1x s TYR 53 Cb -0.12 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2w1x s TYR 53 CO 0.03 -0.33 0.00 0.41 -1.11 0.00 0.00 175.55 174.55 2w1x n GLY 54 N 3.54 -2.06 0.33 0.71 0.00 0.69 -1.79 105.19 106.61 2w1x n GLY 54 Ca -0.20 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.29 2w1x n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2w1x h ILE 55 N 0.00 0.83 -0.28 -0.61 3.07 -1.71 -1.01 117.51 117.80 2w1x h ILE 55 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2w1x h ILE 55 Cb 0.00 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 2w1x h ILE 55 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 2w1x n LEU 56 N -4.43 3.08 -3.83 0.16 4.77 -1.26 -4.05 117.00 111.43 2w1x n LEU 56 Ca 0.05 -2.32 -0.28 0.00 -0.03 0.00 0.00 56.01 53.43 2w1x n LEU 56 Cb 0.40 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2w1x n LEU 56 CO 0.36 0.69 -0.16 0.00 -1.33 0.00 0.00 177.39 176.95 2w1x n GLN 57 N 0.06 -2.68 -2.54 3.23 1.13 -0.39 -4.90 117.38 111.30 2w1x n GLN 57 Ca 0.13 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 2w1x n GLN 57 Cb 0.55 -4.42 -0.03 0.00 0.11 0.00 0.00 30.24 26.45 2w1x n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2w1x s ILE 58 N -3.74 4.23 -0.02 5.09 1.01 -0.74 -4.41 121.20 122.61 2w1x s ILE 58 Ca 0.18 1.69 -0.18 0.00 0.00 0.00 0.00 60.65 62.34 2w1x s ILE 58 Cb -0.07 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2w1x s ILE 58 CO 0.87 0.18 0.50 0.21 0.00 0.00 0.00 174.94 176.70 2w1x s ASN 59 N 0.65 6.86 0.07 3.58 3.04 -1.26 -0.55 114.94 127.33 2w1x s ASN 59 Ca 0.54 1.02 0.21 0.00 0.04 0.00 0.00 52.86 54.67 2w1x s ASN 59 Cb -0.27 -2.31 0.87 0.00 -1.54 0.00 0.00 41.25 38.01 2w1x s ASN 59 CO 0.30 0.17 1.67 -1.54 -3.04 0.00 0.00 177.10 174.67 2w1x n SER 60 N 2.55 0.20 -0.22 -4.21 3.41 -0.26 -1.77 113.62 113.31 2w1x n SER 60 Ca -0.10 0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 59.03 2w1x n SER 60 Cb 0.52 -0.58 0.19 0.00 -0.26 0.00 0.00 64.21 64.07 2w1x n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2w1x h ARG 61 N 0.00 1.02 0.00 4.33 1.12 -1.83 -3.39 114.38 115.63 2w1x h ARG 61 Ca 0.00 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2w1x h ARG 61 Cb 0.39 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2w1x h ARG 61 CO 0.00 0.75 -0.76 0.91 -3.11 0.00 0.00 179.97 177.76 2w1x n TRP 62 N -4.36 0.00 -0.04 2.20 7.02 -1.19 -0.93 117.44 120.14 2w1x n TRP 62 Ca 0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.53 2w1x n TRP 62 Cb 0.10 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.92 2w1x n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2w1x n TRP 63 N -1.78 0.00 -4.08 -5.99 7.02 -0.73 -1.05 117.44 110.83 2w1x n TRP 63 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 2w1x n TRP 63 Cb 0.38 -0.41 -0.10 0.00 -2.42 0.00 0.00 31.31 28.76 2w1x n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2w1x s ASN 65 N -2.93 6.21 0.00 0.00 2.47 -0.01 -4.53 114.94 116.14 2w1x s ASN 65 Ca 0.09 0.23 0.05 0.00 0.42 0.00 0.00 52.86 53.64 2w1x s ASN 65 Cb 0.08 -2.16 0.06 0.00 -1.45 0.00 0.00 41.25 37.78 2w1x s ASN 65 CO -0.09 -0.02 0.76 -0.90 -3.72 0.00 0.00 177.10 173.13 2w1x n ASP 66 N 4.60 1.63 0.00 -4.21 5.68 -1.26 -0.69 116.55 122.29 2w1x n ASP 66 Ca -0.12 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2w1x n ASP 66 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2w1x n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2w1x n GLY 67 N 0.20 0.34 0.56 6.12 0.00 -1.26 -4.79 105.19 106.35 2w1x n GLY 67 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2w1x n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2w1x n ARG 68 N -1.36 0.26 -3.88 1.61 1.85 -1.26 -4.97 116.66 108.92 2w1x n ARG 68 Ca 0.00 -1.47 -0.30 0.00 -1.00 0.00 0.00 57.85 55.08 2w1x n ARG 68 Cb 0.15 -0.64 -0.12 0.00 -1.05 0.00 0.00 32.46 30.80 2w1x n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2w1x s THR 69 N -0.58 2.98 0.12 8.89 2.01 -1.26 -4.87 115.64 122.92 2w1x s THR 69 Ca 0.11 -3.76 -0.32 0.00 0.31 0.00 0.00 61.69 58.02 2w1x s THR 69 Cb 0.11 -2.98 -0.12 0.00 0.01 0.00 0.00 72.50 69.52 2w1x s THR 69 CO -0.02 -0.92 1.76 -2.65 -0.69 0.00 0.00 174.62 172.10 2w1x n PRO 70 N 2.57 2.54 -0.23 4.92 -0.02 -1.26 -2.15 135.00 141.37 2w1x n PRO 70 Ca 0.13 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2w1x n PRO 70 Cb 0.34 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 2w1x n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w1x n GLY 71 N 4.00 0.63 3.92 -1.23 0.00 -1.26 -5.03 105.19 106.22 2w1x n GLY 71 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2w1x n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w1x s SER 72 N -2.95 4.39 0.53 1.61 1.04 -0.91 -5.07 113.70 112.32 2w1x s SER 72 Ca 0.00 0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.97 2w1x s SER 72 Cb 0.00 -0.97 0.02 0.00 0.10 0.00 0.00 66.02 65.17 2w1x s SER 72 CO 0.00 -1.92 0.29 -0.13 0.98 0.00 0.00 173.24 172.46 2w1x s ARG 73 N -5.47 2.24 -0.39 4.02 1.81 -0.11 -4.99 118.95 116.07 2w1x s ARG 73 Ca 0.63 -2.10 0.10 0.00 -1.72 0.00 0.00 55.73 52.65 2w1x s ARG 73 Cb -0.09 -1.96 0.30 0.00 -0.45 0.00 0.00 34.95 32.75 2w1x s ARG 73 CO 0.48 -0.52 0.66 -1.71 -0.68 0.00 0.00 175.30 173.53 2w1x n ASN 74 N -1.61 0.29 0.20 0.23 5.15 -1.14 -3.63 115.26 114.75 2w1x n ASN 74 Ca -0.06 -2.91 0.14 0.00 -0.60 0.00 0.00 54.58 51.15 2w1x n ASN 74 Cb 0.65 -0.44 0.52 0.00 -0.53 0.00 0.00 39.78 39.97 2w1x n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2w1x h LEU 75 N 3.47 0.00 -0.71 1.20 3.38 -1.09 -1.34 115.31 120.23 2w1x h LEU 75 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2w1x h LEU 75 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2w1x h LEU 75 CO 0.46 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.79 2w1x n ASN 77 N -0.32 -1.43 -3.91 0.00 3.02 -0.50 -4.99 115.26 107.13 2w1x n ASN 77 Ca 0.14 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.75 2w1x n ASN 77 Cb 0.37 -3.95 -0.10 0.00 -0.61 0.00 0.00 39.78 35.49 2w1x n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2w1x s ILE 78 N -3.66 0.09 0.31 2.41 -4.36 -1.26 -5.06 121.20 109.66 2w1x s ILE 78 Ca 0.07 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.43 2w1x s ILE 78 Cb -0.03 -0.35 -0.10 0.00 1.25 0.00 0.00 42.46 43.22 2w1x s ILE 78 CO 0.82 -0.40 1.38 -2.16 0.24 0.00 0.00 174.94 174.81 2w1x s PRO 79 N -1.33 4.29 0.52 0.37 0.04 -1.26 -0.83 135.00 136.80 2w1x s PRO 79 Ca -0.14 2.30 0.19 0.00 0.04 0.00 0.00 61.00 63.38 2w1x s PRO 79 Cb -0.08 -3.07 1.30 0.00 0.04 0.00 0.00 34.50 32.69 2w1x s PRO 79 CO 0.01 -0.32 2.09 0.00 0.04 0.00 0.00 177.00 178.82 2w1x h SER 81 N 0.03 0.22 0.21 0.00 4.64 -1.91 -0.35 113.55 116.38 2w1x h SER 81 Ca 0.11 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2w1x h SER 81 Cb 0.39 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2w1x h SER 81 CO -0.00 0.11 -0.04 0.00 -0.87 0.00 0.00 176.83 176.03 2w1x h ALA 82 N 1.66 1.25 -0.00 5.18 0.00 -1.54 -1.59 119.26 124.22 2w1x h ALA 82 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2w1x h ALA 82 Cb 1.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2w1x h ALA 82 CO -0.07 0.05 -0.00 1.28 0.00 0.00 0.00 179.25 180.50 2w1x n LEU 83 N -3.49 0.08 -0.75 0.00 4.77 -0.14 -3.35 117.00 114.12 2w1x n LEU 83 Ca -0.02 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 2w1x n LEU 83 Cb 0.15 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2w1x n LEU 83 CO 0.26 0.01 0.57 0.18 -1.33 0.00 0.00 177.39 177.09 2w1x n LEU 84 N -1.00 2.71 -4.74 2.23 4.77 -0.60 -3.92 117.00 116.45 2w1x n LEU 84 Ca 0.22 -1.37 -0.35 0.00 -0.03 0.00 0.00 56.01 54.47 2w1x n LEU 84 Cb 0.15 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2w1x n LEU 84 CO 0.19 0.57 0.82 -0.55 -1.33 0.00 0.00 177.39 177.09 2w1x s SER 85 N -1.21 4.80 0.45 -1.43 0.15 -1.21 -4.24 113.70 111.00 2w1x s SER 85 Ca 0.24 2.34 0.16 0.00 0.70 0.00 0.00 55.95 59.39 2w1x s SER 85 Cb 0.15 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.90 2w1x s SER 85 CO 0.21 -1.85 1.98 0.77 1.20 0.00 0.00 173.24 175.55 2w1x h SER 86 N 0.35 0.00 -3.31 5.45 4.64 -1.93 -3.40 113.55 115.35 2w1x h SER 86 Ca -0.49 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.24 2w1x h SER 86 Cb 1.29 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.30 2w1x h SER 86 CO 0.53 0.20 0.40 -0.62 -0.87 0.00 0.00 176.83 176.47 2w1x s ASP 87 N -6.85 6.86 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.36 2w1x s ASP 87 Ca -0.04 1.07 0.20 0.00 -0.52 0.00 0.00 52.55 53.26 2w1x s ASP 87 Cb 0.15 -2.43 1.07 0.00 -1.46 0.00 0.00 42.92 40.25 2w1x s ASP 87 CO 0.68 -0.44 1.71 2.30 0.52 0.00 0.00 175.17 179.94 2w1x n ILE 88 N 4.99 0.04 -0.08 4.11 -5.35 -1.26 -4.41 119.36 117.40 2w1x n ILE 88 Ca 0.04 -0.08 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 2w1x n ILE 88 Cb 0.48 -0.14 -0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2w1x n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2w1x h THR 89 N 0.53 0.45 -0.61 7.28 2.02 -1.94 -0.10 112.91 120.54 2w1x h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2w1x h THR 89 Cb 0.12 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2w1x h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 2w1x h ALA 90 N 1.04 0.77 -0.58 6.16 0.00 -1.84 -0.51 119.26 124.29 2w1x h ALA 90 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2w1x h ALA 90 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2w1x h ALA 90 CO -0.42 0.25 0.31 0.77 0.00 0.00 0.00 179.25 180.16 2w1x h SER 91 N 0.82 0.74 -0.04 0.00 0.02 -1.68 -1.67 113.55 111.74 2w1x h SER 91 Ca 0.22 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2w1x h SER 91 Cb -0.03 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2w1x h SER 91 CO -0.04 0.63 0.01 0.58 -1.14 0.00 0.00 176.83 176.86 2w1x h VAL 92 N 0.79 1.17 -0.67 2.27 2.07 -0.60 0.10 116.25 121.39 2w1x h VAL 92 Ca 0.20 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.27 2w1x h VAL 92 Cb 0.06 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2w1x h VAL 92 CO -0.03 0.14 0.36 0.78 0.02 0.00 0.00 177.57 178.84 2w1x h ASN 93 N -0.15 0.51 -0.30 0.57 2.35 -1.05 -0.23 115.58 117.28 2w1x h ASN 93 Ca 0.01 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 2w1x h ASN 93 Cb 0.22 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2w1x h ASN 93 CO -0.00 0.32 -0.32 0.00 -1.65 0.00 0.00 177.43 175.78 2w1x h ALA 95 N 0.71 1.74 -0.76 0.00 0.00 -0.19 -1.04 119.26 119.72 2w1x h ALA 95 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2w1x h ALA 95 Cb 0.90 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2w1x h ALA 95 CO 0.08 0.15 0.45 0.87 0.00 0.00 0.00 179.25 180.80 2w1x h LYS 96 N 0.69 1.04 -0.23 0.00 1.57 -0.87 -0.57 116.57 118.21 2w1x h LYS 96 Ca 0.29 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2w1x h LYS 96 Cb 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2w1x h LYS 96 CO -0.09 0.74 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.15 2w1x h LYS 97 N 1.06 0.52 -0.05 3.15 3.64 -1.10 -2.78 116.57 121.00 2w1x h LYS 97 Ca 0.27 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2w1x h LYS 97 Cb -0.03 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2w1x h LYS 97 CO -0.05 0.81 -0.00 0.82 -2.27 0.00 0.00 179.45 178.76 2w1x h ILE 98 N 0.23 0.97 0.00 2.00 2.04 -1.00 -2.56 117.51 119.18 2w1x h ILE 98 Ca 0.05 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2w1x h ILE 98 Cb 0.68 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2w1x h ILE 98 CO 0.04 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.75 2w1x n VAL 99 N -5.10 0.89 0.91 1.67 3.14 -0.24 -1.71 118.33 117.89 2w1x n VAL 99 Ca -0.06 0.23 0.12 0.00 -2.96 0.00 0.00 64.34 61.67 2w1x n VAL 99 Cb 0.05 -1.08 0.29 0.00 -1.06 0.00 0.00 33.84 32.04 2w1x n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2w1x n SER 100 N -1.91 2.53 0.09 6.55 7.64 -0.98 -3.80 113.62 123.74 2w1x n SER 100 Ca 0.03 -1.84 0.13 0.00 1.01 0.00 0.00 58.87 58.20 2w1x n SER 100 Cb 0.21 -0.12 0.44 0.00 -1.01 0.00 0.00 64.21 63.73 2w1x n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2w1x n ASP 101 N 0.91 0.68 0.00 6.43 2.03 -0.69 -4.90 116.55 121.01 2w1x n ASP 101 Ca 0.17 0.58 0.00 0.00 0.52 0.00 0.00 54.79 56.06 2w1x n ASP 101 Cb 0.48 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2w1x n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2w1x n GLY 102 N 1.16 2.25 0.84 0.27 0.00 -1.26 -4.97 105.19 103.47 2w1x n GLY 102 Ca 0.05 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2w1x n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2w1x n ASN 103 N 0.00 3.49 0.00 1.61 3.02 -1.26 -5.07 115.26 117.05 2w1x n ASN 103 Ca 0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 2w1x n ASN 103 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2w1x n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w1x n GLY 104 N 0.22 2.64 0.00 7.41 0.00 -1.25 -2.13 105.19 112.08 2w1x n GLY 104 Ca 0.17 -0.42 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2w1x n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2w1x n MET 105 N 11.92 0.84 0.20 1.61 2.81 -1.26 -3.25 117.12 129.99 2w1x n MET 105 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 2w1x n MET 105 Cb 0.00 -1.50 0.70 0.00 -0.71 0.00 0.00 33.22 31.71 2w1x n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2w1x h ASN 106 N 0.00 0.00 -0.28 7.83 2.35 -1.84 -1.29 115.58 122.35 2w1x h ASN 106 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2w1x h ASN 106 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2w1x h ASN 106 CO 0.00 0.00 0.20 0.00 -1.65 0.00 0.00 177.43 175.98 2w1x h ALA 107 N 2.04 2.23 -2.05 -0.83 0.00 -1.72 -3.35 119.26 115.58 2w1x h ALA 107 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 2w1x h ALA 107 Cb 0.09 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.71 2w1x h ALA 107 CO 0.00 -0.31 0.08 -1.58 0.00 0.00 0.00 179.25 177.44 2w1x s TRP 108 N -5.06 3.03 0.27 0.00 0.51 -0.49 -4.95 118.94 112.25 2w1x s TRP 108 Ca -0.05 -0.58 -0.03 0.00 -2.12 0.00 0.00 56.10 53.32 2w1x s TRP 108 Cb 0.18 -3.64 0.34 0.00 -0.81 0.00 0.00 33.47 29.55 2w1x s TRP 108 CO 0.70 -1.09 1.86 0.28 -0.51 0.00 0.00 176.95 178.19 2w1x h VAL 109 N 5.88 1.23 -0.57 4.03 2.07 -1.84 -1.19 116.25 125.86 2w1x h VAL 109 Ca -0.28 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2w1x h VAL 109 Cb 1.09 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2w1x h VAL 109 CO 0.99 0.28 0.31 0.00 0.02 0.00 0.00 177.57 179.18 2w1x h ALA 110 N 1.33 1.48 -0.17 1.67 0.00 -1.93 0.28 119.26 121.93 2w1x h ALA 110 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2w1x h ALA 110 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2w1x h ALA 110 CO -0.03 0.44 0.07 2.35 0.00 0.00 0.00 179.25 182.08 2w1x h TRP 111 N 0.79 0.26 -0.61 0.00 7.01 -1.55 0.12 115.95 121.97 2w1x h TRP 111 Ca 0.20 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.21 2w1x h TRP 111 Cb 0.02 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2w1x h TRP 111 CO 0.00 0.32 0.38 -0.09 -2.79 0.00 0.00 178.44 176.27 2w1x h ARG 112 N 0.12 0.74 0.00 2.65 2.43 -0.65 0.14 114.38 119.82 2w1x h ARG 112 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2w1x h ARG 112 Cb 0.17 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2w1x h ARG 112 CO -0.00 0.49 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.56 2w1x h ASN 113 N 0.76 0.00 0.00 -3.80 2.35 -0.85 -3.36 115.58 110.68 2w1x h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2w1x h ASN 113 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2w1x h ASN 113 CO -0.09 0.08 -0.47 0.54 -1.65 0.00 0.00 177.43 175.85 2w1x n ARG 114 N -2.95 2.80 -0.02 0.81 1.74 0.40 -4.91 116.66 114.52 2w1x n ARG 114 Ca 0.02 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.06 2w1x n ARG 114 Cb 0.57 -0.68 -0.02 0.00 -1.02 0.00 0.00 32.46 31.31 2w1x n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2w1x n LYS 116 N -2.73 1.87 0.00 0.00 4.81 0.32 -1.54 118.16 120.88 2w1x n LYS 116 Ca -0.08 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2w1x n LYS 116 Cb 0.58 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2w1x n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2w1x n GLY 117 N 3.61 2.39 3.94 3.14 0.00 -1.26 -4.97 105.19 112.04 2w1x n GLY 117 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2w1x n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w1x s THR 118 N -2.45 2.07 -1.27 2.61 -4.23 -0.59 -4.94 115.64 106.85 2w1x s THR 118 Ca 0.00 -0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 2w1x s THR 118 Cb 0.00 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.95 2w1x s THR 118 CO 0.00 0.00 1.94 -0.67 -0.54 0.00 0.00 174.62 175.35 2w1x n ASP 119 N -3.38 4.07 0.27 3.99 2.03 -1.26 -4.75 116.55 117.52 2w1x n ASP 119 Ca 0.13 -2.84 0.16 0.00 0.52 0.00 0.00 54.79 52.77 2w1x n ASP 119 Cb 0.60 -1.65 0.65 0.00 -0.72 0.00 0.00 41.12 40.00 2w1x n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2w1x h VAL 120 N 5.05 0.06 -0.08 5.18 -1.51 -1.90 -2.65 116.25 120.40 2w1x h VAL 120 Ca 0.45 -0.58 0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2w1x h VAL 120 Cb 0.79 1.55 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2w1x h VAL 120 CO 1.61 0.02 0.08 -0.61 -1.23 0.00 0.00 177.57 177.45 2w1x h GLN 121 N 0.00 0.00 -0.68 5.19 -0.00 -1.88 -1.38 115.11 116.36 2w1x h GLN 121 Ca -0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.65 58.80 2w1x h GLN 121 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.98 2w1x h GLN 121 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 178.83 179.30 2w1x h ALA 122 N 1.92 2.25 0.00 3.38 0.00 -1.87 -1.23 119.26 123.70 2w1x h ALA 122 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2w1x h ALA 122 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2w1x h ALA 122 CO -0.00 -0.43 -0.03 -1.49 0.00 0.00 0.00 179.25 177.29 2w1x h TRP 123 N 0.28 0.00 -0.13 0.00 4.06 -1.46 -2.48 115.95 116.21 2w1x h TRP 123 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 2w1x h TRP 123 Cb 0.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 2w1x h TRP 123 CO -0.00 0.03 0.00 0.44 -3.56 0.00 0.00 178.44 175.35 2w1x n ILE 124 N -3.24 0.68 -1.69 1.49 -5.35 -0.51 -4.75 119.36 105.99 2w1x n ILE 124 Ca -0.01 -0.84 -0.44 0.00 -0.27 0.00 0.00 62.75 61.18 2w1x n ILE 124 Cb 0.20 0.70 -0.04 0.00 -1.74 0.00 0.00 39.64 38.76 2w1x n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2w1x n ARG 125 N 0.15 2.47 -0.75 6.28 0.63 -0.94 -1.95 116.66 122.56 2w1x n ARG 125 Ca 0.06 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2w1x n ARG 125 Cb 0.29 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.49 2w1x n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w1x n GLY 126 N 3.71 1.27 3.75 5.14 0.00 -1.26 -5.00 105.19 112.80 2w1x n GLY 126 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2w1x n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w1x s ARG 128 N -0.97 3.77 0.00 0.00 3.52 -1.26 -5.12 118.95 118.89 2w1x s ARG 128 Ca 0.40 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2w1x s ARG 128 Cb -0.25 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2w1x s ARG 128 CO 0.30 -1.32 0.36 1.28 -0.81 0.00 0.00 175.30 175.10