#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w5k n GLU 2 N 0.00 1.13 -1.61 1.64 2.13 -1.26 -4.94 120.64 117.73 2w5k n GLU 2 Ca 0.00 0.41 -0.32 0.00 0.66 0.00 0.00 57.16 57.91 2w5k n GLU 2 Cb 0.00 -2.05 0.05 0.00 0.27 0.00 0.00 31.44 29.71 2w5k n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2w5k s THR 3 N 0.67 3.67 0.29 6.31 -4.23 -1.26 -4.86 115.64 116.22 2w5k s THR 3 Ca 0.85 0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 61.97 2w5k s THR 3 Cb -0.97 -3.21 0.22 0.00 1.34 0.00 0.00 72.50 69.88 2w5k s THR 3 CO 0.48 -0.62 1.91 0.00 -0.54 0.00 0.00 174.62 175.85 2w5k h ALA 4 N -0.47 1.33 -0.55 3.99 0.00 -1.94 -0.87 119.26 120.75 2w5k h ALA 4 Ca -0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2w5k h ALA 4 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2w5k h ALA 4 CO 0.55 0.55 0.34 0.00 0.00 0.00 0.00 179.25 180.69 2w5k h ALA 5 N 1.42 0.70 -0.46 0.00 0.00 -1.88 -1.40 119.26 117.64 2w5k h ALA 5 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2w5k h ALA 5 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2w5k h ALA 5 CO -0.04 0.17 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 2w5k h ALA 6 N 1.17 0.93 -0.71 0.00 0.00 -1.82 -2.53 119.26 116.30 2w5k h ALA 6 Ca 0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2w5k h ALA 6 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2w5k h ALA 6 CO -0.04 0.62 0.17 -0.22 0.00 0.00 0.00 179.25 179.79 2w5k h LYS 7 N 0.75 1.13 -0.63 0.00 3.64 -0.94 -1.31 116.57 119.21 2w5k h LYS 7 Ca 0.12 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2w5k h LYS 7 Cb 0.63 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2w5k h LYS 7 CO 0.04 0.99 0.41 0.35 -2.27 0.00 0.00 179.45 178.98 2w5k h PHE 8 N 1.07 0.80 -0.59 1.91 3.57 -1.01 -0.31 116.94 122.39 2w5k h PHE 8 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2w5k h PHE 8 Cb 0.37 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2w5k h PHE 8 CO 0.03 0.52 0.26 0.93 -2.23 0.00 0.00 178.31 177.82 2w5k h GLU 9 N 0.86 0.86 -0.34 1.11 5.08 -1.12 -0.21 114.58 120.82 2w5k h GLU 9 Ca 0.23 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2w5k h GLU 9 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2w5k h GLU 9 CO -0.05 0.72 0.06 -0.09 -1.00 0.00 0.00 179.01 178.65 2w5k h ARG 10 N 0.80 0.55 0.00 2.33 2.43 -0.90 -2.19 114.38 117.41 2w5k h ARG 10 Ca 0.20 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 2w5k h ARG 10 Cb 0.16 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2w5k h ARG 10 CO -0.02 0.62 -0.72 1.96 -1.51 0.00 0.00 179.97 180.30 2w5k h GLN 11 N 0.39 0.00 0.00 0.20 4.20 -0.96 -3.42 115.11 115.52 2w5k h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2w5k h GLN 11 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2w5k h GLN 11 CO 0.00 0.72 -0.16 0.72 -0.67 0.00 0.00 178.83 179.44 2w5k n HIS 12 N -3.28 0.00 -3.84 2.96 8.25 -0.10 -4.74 115.22 114.47 2w5k n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 2w5k n HIS 12 Cb 0.82 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.82 2w5k n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2w5k s MET 13 N -0.75 3.85 -0.42 -0.41 -1.94 -0.83 -0.55 119.30 118.26 2w5k s MET 13 Ca 0.00 -0.39 0.05 0.00 -1.71 0.00 0.00 55.69 53.64 2w5k s MET 13 Cb 0.00 -3.34 0.19 0.00 2.01 0.00 0.00 34.83 33.69 2w5k s MET 13 CO 0.00 0.01 0.42 -3.47 -0.01 0.00 0.00 175.02 171.97 2w5k n ASP 14 N 4.35 -0.66 -0.26 3.03 2.03 -0.75 -4.85 116.55 119.44 2w5k n ASP 14 Ca -0.16 -2.50 -0.06 0.00 0.52 0.00 0.00 54.79 52.59 2w5k n ASP 14 Cb 0.52 -0.32 0.05 0.00 -0.72 0.00 0.00 41.12 40.65 2w5k n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2w5k h SER 15 N 5.21 0.90 0.00 1.67 0.02 -1.77 -3.38 113.55 116.20 2w5k h SER 15 Ca 0.20 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2w5k h SER 15 Cb 0.92 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2w5k h SER 15 CO 0.36 0.74 0.00 -1.54 -1.14 0.00 0.00 176.83 175.25 2w5k n SER 16 N -4.48 0.00 -4.45 3.07 3.41 -1.26 -4.63 113.62 105.28 2w5k n SER 16 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 2w5k n SER 16 Cb 0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 2w5k n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2w5k s THR 17 N 0.00 0.92 0.09 6.66 -4.23 -1.26 -5.09 115.64 112.74 2w5k s THR 17 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2w5k s THR 17 Cb 0.00 -2.28 -0.14 0.00 1.34 0.00 0.00 72.50 71.42 2w5k s THR 17 CO 0.00 0.00 1.32 -1.28 -0.54 0.00 0.00 174.62 174.12 2w5k h SER 18 N 1.57 0.86 0.00 3.99 0.87 -1.87 -3.45 113.55 115.51 2w5k h SER 18 Ca -0.40 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2w5k h SER 18 Cb 1.29 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2w5k h SER 18 CO 0.66 1.30 0.00 0.00 -0.53 0.00 0.00 176.83 178.26 2w5k n ALA 19 N -2.57 0.00 -2.65 6.23 0.00 -1.26 -4.85 120.51 115.41 2w5k n ALA 19 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 2w5k n ALA 19 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 2w5k n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2w5k s ALA 20 N -1.76 3.48 0.44 0.00 0.00 -1.26 -5.01 121.76 117.66 2w5k s ALA 20 Ca 0.00 -1.10 0.16 0.00 0.00 0.00 0.00 51.96 51.02 2w5k s ALA 20 Cb 0.00 -2.43 1.09 0.00 0.00 0.00 0.00 23.12 21.77 2w5k s ALA 20 CO 0.00 -0.55 1.94 0.66 0.00 0.00 0.00 175.76 177.81 2w5k h SER 21 N 8.36 0.34 -5.13 0.00 4.64 -2.00 -3.46 113.55 116.30 2w5k h SER 21 Ca -0.35 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.05 2w5k h SER 21 Cb 1.19 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2w5k h SER 21 CO 0.56 0.18 0.35 -0.94 -0.87 0.00 0.00 176.83 176.11 2w5k s SER 22 N -6.02 -0.10 0.27 4.97 1.04 -1.26 -5.01 113.70 107.59 2w5k s SER 22 Ca -0.08 -0.80 0.24 0.00 0.48 0.00 0.00 55.95 55.80 2w5k s SER 22 Cb 0.21 0.70 1.01 0.00 0.10 0.00 0.00 66.02 68.03 2w5k s SER 22 CO 0.76 -1.35 1.72 -0.24 0.98 0.00 0.00 173.24 175.11 2w5k n SER 23 N -0.96 0.69 -0.90 7.02 2.88 -1.26 -2.30 113.62 118.79 2w5k n SER 23 Ca -0.06 0.68 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2w5k n SER 23 Cb 0.60 -0.82 0.16 0.00 -0.75 0.00 0.00 64.21 63.40 2w5k n SER 23 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2w5k n ASN 24 N -2.27 2.80 -0.07 -3.46 5.15 -1.26 -4.51 115.26 111.64 2w5k n ASN 24 Ca 0.02 -1.93 -0.08 0.00 -0.60 0.00 0.00 54.58 51.99 2w5k n ASN 24 Cb 0.22 -0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.45 2w5k n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2w5k h TYR 25 N 4.37 -0.71 -0.76 1.20 3.20 -1.85 -2.47 116.97 119.94 2w5k h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2w5k h TYR 25 Cb 0.93 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2w5k h TYR 25 CO 0.01 -0.34 0.41 0.00 -1.64 0.00 0.00 178.16 176.59 2w5k h ASN 27 N 1.06 0.36 -0.13 0.00 2.35 -1.73 -0.77 115.58 116.71 2w5k h ASN 27 Ca 0.27 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 2w5k h ASN 27 Cb 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2w5k h ASN 27 CO -0.04 0.23 -0.24 1.56 -1.65 0.00 0.00 177.43 177.29 2w5k h GLN 28 N 0.51 0.39 -0.36 0.81 4.20 -1.12 -3.22 115.11 116.32 2w5k h GLN 28 Ca 0.28 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 2w5k h GLN 28 Cb 0.26 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2w5k h GLN 28 CO -0.23 0.84 -0.42 0.52 -0.67 0.00 0.00 178.83 178.88 2w5k h MET 29 N -0.02 0.92 -0.70 1.46 2.86 -0.89 -1.81 114.93 116.75 2w5k h MET 29 Ca 0.01 -0.51 0.01 0.00 -2.06 0.00 0.00 59.70 57.15 2w5k h MET 29 Cb 0.82 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 2w5k h MET 29 CO 0.05 1.16 0.46 0.52 1.06 0.00 0.00 176.91 180.17 2w5k h MET 30 N 0.74 0.91 -0.13 1.72 2.86 -1.27 -2.03 114.93 117.74 2w5k h MET 30 Ca 0.05 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2w5k h MET 30 Cb 1.02 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2w5k h MET 30 CO 0.10 0.61 -0.35 -0.22 1.06 0.00 0.00 176.91 178.11 2w5k h LYS 31 N 0.94 0.46 0.00 1.72 3.64 -1.52 -1.15 116.57 120.67 2w5k h LYS 31 Ca 0.26 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 2w5k h LYS 31 Cb -0.10 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2w5k h LYS 31 CO -0.06 0.94 -0.49 0.66 -2.27 0.00 0.00 179.45 178.24 2w5k h SER 32 N 0.06 0.00 -0.32 4.20 4.64 -1.13 -2.19 113.55 118.80 2w5k h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2w5k h SER 32 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2w5k h SER 32 CO 0.07 0.49 0.00 0.54 -0.87 0.00 0.00 176.83 177.06 2w5k n ARG 33 N -3.86 1.74 -2.44 4.77 5.12 -0.78 -4.92 116.66 116.30 2w5k n ARG 33 Ca -0.01 -1.15 -0.13 0.00 -1.93 0.00 0.00 57.85 54.63 2w5k n ARG 33 Cb 0.52 -1.25 0.01 0.00 -1.16 0.00 0.00 32.46 30.58 2w5k n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2w5k n ASN 34 N 0.44 -4.09 -1.23 0.55 3.02 -0.82 -4.86 115.26 108.26 2w5k n ASN 34 Ca 0.11 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.69 2w5k n ASN 34 Cb 0.27 -3.16 0.28 0.00 -0.61 0.00 0.00 39.78 36.57 2w5k n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2w5k n LEU 35 N -2.10 3.60 -0.11 3.41 4.77 -0.44 -4.17 117.00 121.95 2w5k n LEU 35 Ca -0.11 -1.73 0.05 0.00 -0.03 0.00 0.00 56.01 54.19 2w5k n LEU 35 Cb 0.60 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2w5k n LEU 35 CO 0.22 0.86 0.47 0.35 -1.33 0.00 0.00 177.39 177.96 2w5k n THR 36 N 1.49 1.15 0.35 -5.08 -2.24 -1.20 -2.55 114.28 106.20 2w5k n THR 36 Ca 0.22 -1.32 -0.14 0.00 -2.27 0.00 0.00 64.05 60.53 2w5k n THR 36 Cb 0.59 0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 2w5k n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2w5k h LYS 37 N 0.00 -0.89 0.00 -0.78 3.64 -1.91 -3.38 116.57 113.25 2w5k h LYS 37 Ca 0.00 0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 2w5k h LYS 37 Cb 0.93 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2w5k h LYS 37 CO 0.00 -0.59 -2.24 -0.25 -2.27 0.00 0.00 179.45 174.09 2w5k n ASP 38 N -5.35 0.05 -3.78 4.20 8.00 -1.26 -5.01 116.55 113.40 2w5k n ASP 38 Ca -0.11 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 2w5k n ASP 38 Cb 0.36 1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 42.75 2w5k n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w5k s ARG 39 N -2.84 1.20 -0.27 -1.24 1.70 -1.26 -5.10 118.95 111.14 2w5k s ARG 39 Ca -0.09 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 53.96 2w5k s ARG 39 Cb 0.09 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 2w5k s ARG 39 CO 0.85 -0.47 1.15 0.00 -1.08 0.00 0.00 175.30 175.74 2w5k s LYS 41 N 3.64 4.25 0.23 0.00 2.20 -1.06 -4.91 119.74 124.09 2w5k s LYS 41 Ca 0.49 2.15 0.01 0.00 -0.36 0.00 0.00 55.97 58.25 2w5k s LYS 41 Cb -0.15 -3.55 0.23 0.00 -1.51 0.00 0.00 37.83 32.85 2w5k s LYS 41 CO 0.15 -0.64 1.57 -1.35 -0.36 0.00 0.00 175.35 174.72 2w5k h PRO 42 N 7.93 0.42 -3.67 4.03 0.11 -1.95 -3.44 132.00 135.43 2w5k h PRO 42 Ca -0.40 -0.25 -0.21 0.00 0.11 0.00 0.00 66.00 65.25 2w5k h PRO 42 Cb 1.19 0.02 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 2w5k h PRO 42 CO 0.91 0.83 -0.66 0.14 -0.21 0.00 0.00 178.00 179.01 2w5k s VAL 43 N -4.00 0.02 -0.03 3.15 -7.23 -1.26 -0.85 120.40 110.20 2w5k s VAL 43 Ca -0.06 -0.19 -0.28 0.00 -1.81 0.00 0.00 61.98 59.64 2w5k s VAL 43 Cb 0.12 -0.12 0.06 0.00 0.56 0.00 0.00 36.38 37.00 2w5k s VAL 43 CO 0.81 -0.10 0.63 0.21 -0.31 0.00 0.00 175.10 176.34 2w5k s ASN 44 N -0.30 -0.59 -0.06 4.85 2.47 -0.45 -5.02 114.94 115.83 2w5k s ASN 44 Ca -0.03 0.58 0.06 0.00 0.42 0.00 0.00 52.86 53.88 2w5k s ASN 44 Cb -0.02 0.52 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 2w5k s ASN 44 CO -0.00 -0.62 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.62 2w5k s THR 45 N -1.45 2.01 -0.00 -5.21 2.01 -1.26 -0.80 115.64 110.94 2w5k s THR 45 Ca -0.10 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 60.88 2w5k s THR 45 Cb -0.01 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2w5k s THR 45 CO 0.07 0.56 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.18 2w5k s PHE 46 N -0.13 3.03 -0.09 4.92 0.08 -0.28 -4.48 117.98 121.03 2w5k s PHE 46 Ca -0.04 0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.09 2w5k s PHE 46 Cb -0.14 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 2w5k s PHE 46 CO 0.04 0.44 -0.18 0.08 -0.10 0.00 0.00 175.22 175.50 2w5k s VAL 47 N -1.06 2.68 -2.18 -0.44 1.01 0.29 -0.66 120.40 120.03 2w5k s VAL 47 Ca 0.19 -0.82 0.19 0.00 0.00 0.00 0.00 61.98 61.54 2w5k s VAL 47 Cb -0.11 -2.06 0.27 0.00 0.00 0.00 0.00 36.38 34.47 2w5k s VAL 47 CO 0.09 0.56 1.21 1.41 0.00 0.00 0.00 175.10 178.37 2w5k n HIS 48 N 3.09 0.24 -1.75 5.22 -0.00 -0.26 -1.81 115.22 119.94 2w5k n HIS 48 Ca -0.18 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.72 57.10 2w5k n HIS 48 Cb 0.52 -0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.62 2w5k n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2w5k s GLU 49 N -1.43 1.71 0.65 -0.41 0.41 -1.26 -4.45 118.70 113.92 2w5k s GLU 49 Ca 0.28 0.21 -0.17 0.00 -0.41 0.00 0.00 54.97 54.88 2w5k s GLU 49 Cb 0.18 -1.91 -0.00 0.00 -1.78 0.00 0.00 34.13 30.61 2w5k s GLU 49 CO 0.25 -1.79 1.17 -1.54 -0.49 0.00 0.00 175.26 172.86 2w5k s SER 50 N -4.34 4.91 0.25 -0.19 1.04 -1.26 -4.41 113.70 109.69 2w5k s SER 50 Ca 0.62 2.24 -0.04 0.00 0.48 0.00 0.00 55.95 59.25 2w5k s SER 50 Cb -0.12 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 63.78 2w5k s SER 50 CO 0.51 -1.78 1.85 0.25 0.98 0.00 0.00 173.24 175.06 2w5k h LEU 51 N 0.29 0.88 -0.71 2.42 5.85 -1.98 -2.33 115.31 119.73 2w5k h LEU 51 Ca -0.48 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.33 2w5k h LEU 51 Cb 1.28 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2w5k h LEU 51 CO 0.53 0.55 0.39 0.00 -0.34 0.00 0.00 178.44 179.58 2w5k h ALA 52 N 1.43 0.97 -0.32 1.25 0.00 -1.99 -0.13 119.26 120.46 2w5k h ALA 52 Ca 0.40 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 2w5k h ALA 52 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2w5k h ALA 52 CO -0.18 0.05 -0.20 -0.44 0.00 0.00 0.00 179.25 178.47 2w5k h ASP 53 N 0.70 0.59 -0.06 0.00 3.32 -1.81 -1.68 116.42 117.48 2w5k h ASP 53 Ca 0.33 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2w5k h ASP 53 Cb 0.24 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.64 2w5k h ASP 53 CO -0.21 0.80 -0.63 0.58 -1.72 0.00 0.00 179.24 178.07 2w5k h VAL 54 N 0.53 1.37 -0.27 -1.35 2.07 -1.03 -3.13 116.25 114.43 2w5k h VAL 54 Ca 0.08 -1.97 -0.00 0.00 0.82 0.00 0.00 66.70 65.63 2w5k h VAL 54 Cb 0.65 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2w5k h VAL 54 CO 0.05 0.59 0.16 1.56 0.02 0.00 0.00 177.57 179.95 2w5k h GLN 55 N 0.12 0.36 0.00 1.57 4.20 -0.92 -2.09 115.11 118.35 2w5k h GLN 55 Ca -0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2w5k h GLN 55 Cb 1.29 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2w5k h GLN 55 CO 0.13 0.26 -0.01 0.00 -0.67 0.00 0.00 178.83 178.53 2w5k h ALA 56 N 1.80 1.12 -0.19 3.87 0.00 -1.25 -2.69 119.26 121.92 2w5k h ALA 56 Ca 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2w5k h ALA 56 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2w5k h ALA 56 CO -0.02 0.02 0.15 0.28 0.00 0.00 0.00 179.25 179.68 2w5k h VAL 57 N 0.00 0.77 0.00 0.00 2.07 -1.42 -1.77 116.25 115.89 2w5k h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2w5k h VAL 57 Cb 0.11 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2w5k h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2w5k n SER 59 N -1.32 3.02 0.00 0.00 7.64 -0.67 -5.01 113.62 117.28 2w5k n SER 59 Ca 0.03 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2w5k n SER 59 Cb 0.06 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2w5k n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2w5k n GLN 60 N -0.41 0.62 -2.81 1.43 6.02 -0.66 -5.03 117.38 116.56 2w5k n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 2w5k n GLN 60 Cb 0.61 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.83 2w5k n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2w5k s LYS 61 N 4.21 3.75 0.05 -1.09 2.20 -1.03 -4.90 119.74 122.93 2w5k s LYS 61 Ca 0.00 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 2w5k s LYS 61 Cb 0.00 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 2w5k s LYS 61 CO 0.00 -1.03 1.16 1.21 -0.36 0.00 0.00 175.35 176.33 2w5k s ASN 62 N 2.00 7.12 0.12 1.43 3.04 -1.26 -0.34 114.94 127.05 2w5k s ASN 62 Ca 0.38 1.96 -0.00 0.00 0.04 0.00 0.00 52.86 55.23 2w5k s ASN 62 Cb -0.11 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 2w5k s ASN 62 CO 0.21 -0.44 0.01 0.68 -3.04 0.00 0.00 177.10 174.52 2w5k s VAL 63 N 1.08 0.29 0.51 -5.21 -7.23 -0.41 -4.93 120.40 104.50 2w5k s VAL 63 Ca 0.58 -1.90 -0.21 0.00 -1.81 0.00 0.00 61.98 58.64 2w5k s VAL 63 Cb -0.28 -1.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 2w5k s VAL 63 CO 0.29 -0.64 1.15 0.00 -0.31 0.00 0.00 175.10 175.59 2w5k s ALA 64 N -3.90 2.82 0.66 1.32 0.00 -1.26 -3.19 121.76 118.21 2w5k s ALA 64 Ca 0.19 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 2w5k s ALA 64 Cb 0.07 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2w5k s ALA 64 CO -0.01 -0.72 1.03 0.00 0.00 0.00 0.00 175.76 176.06 2w5k h LYS 66 N -0.47 0.00 -0.15 0.00 1.57 -1.94 -0.92 116.57 114.65 2w5k h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2w5k h LYS 66 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2w5k h LYS 66 CO 0.63 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 2w5k n ASN 67 N -4.16 1.29 0.00 0.86 0.23 -1.26 -4.92 115.26 107.30 2w5k n ASN 67 Ca -0.03 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 2w5k n ASN 67 Cb 0.15 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2w5k n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2w5k n GLY 68 N 1.02 1.50 3.72 4.83 0.00 -0.35 -5.06 105.19 110.86 2w5k n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2w5k n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w5k s GLN 69 N -0.39 1.77 -0.04 1.61 -0.21 -1.26 -4.76 119.66 116.38 2w5k s GLN 69 Ca 0.00 1.45 0.14 0.00 0.02 0.00 0.00 55.36 56.97 2w5k s GLN 69 Cb 0.00 -1.82 0.43 0.00 1.00 0.00 0.00 33.01 32.62 2w5k s GLN 69 CO 0.00 -2.05 1.36 0.25 -2.12 0.00 0.00 175.29 172.73 2w5k n THR 70 N -3.58 1.27 -1.02 -0.19 -2.24 -1.26 -0.18 114.28 107.08 2w5k n THR 70 Ca 0.11 -1.15 -0.23 0.00 -2.27 0.00 0.00 64.05 60.51 2w5k n THR 70 Cb 0.52 0.35 0.14 0.00 -2.10 0.00 0.00 70.33 69.24 2w5k n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2w5k n ASN 71 N 0.58 4.61 -4.90 3.42 6.94 -1.26 -4.74 115.26 119.91 2w5k n ASN 71 Ca 0.16 -3.46 -0.28 0.00 -0.02 0.00 0.00 54.58 50.98 2w5k n ASN 71 Cb 0.57 -0.85 -0.04 0.00 -2.36 0.00 0.00 39.78 37.10 2w5k n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2w5k s TYR 73 N -1.61 0.25 -0.13 0.00 1.51 0.16 -1.29 117.35 116.24 2w5k s TYR 73 Ca 0.34 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.30 2w5k s TYR 73 Cb -0.12 -0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 2w5k s TYR 73 CO 0.27 -0.03 0.07 -1.14 -1.11 0.00 0.00 175.55 173.61 2w5k s GLN 74 N 0.13 3.49 0.36 -0.62 0.74 0.54 -1.29 119.66 123.01 2w5k s GLN 74 Ca -0.01 -0.30 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 2w5k s GLN 74 Cb -0.03 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.91 2w5k s GLN 74 CO -0.00 0.57 1.36 -1.54 -0.55 0.00 0.00 175.29 175.12 2w5k s SER 75 N -0.47 6.54 0.18 6.67 1.04 -0.18 -2.48 113.70 125.00 2w5k s SER 75 Ca 0.10 2.78 -0.05 0.00 0.48 0.00 0.00 55.95 59.26 2w5k s SER 75 Cb -0.12 -2.65 0.09 0.00 0.10 0.00 0.00 66.02 63.44 2w5k s SER 75 CO 0.02 -0.70 1.52 1.88 0.98 0.00 0.00 173.24 176.93 2w5k h TYR 76 N 3.11 0.82 -2.72 5.02 0.05 -1.95 -3.44 116.97 117.87 2w5k h TYR 76 Ca -0.50 -0.26 -0.50 0.00 0.05 0.00 0.00 58.73 57.52 2w5k h TYR 76 Cb 1.23 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2w5k h TYR 76 CO 0.54 1.01 -0.30 -1.12 -1.05 0.00 0.00 178.16 177.25 2w5k s SER 77 N -6.88 6.35 0.56 3.88 0.01 -1.26 -5.06 113.70 111.29 2w5k s SER 77 Ca -0.08 0.37 -0.17 0.00 1.31 0.00 0.00 55.95 57.37 2w5k s SER 77 Cb 0.11 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 2w5k s SER 77 CO 0.85 -0.13 1.05 0.42 0.41 0.00 0.00 173.24 175.83 2w5k s THR 78 N -2.04 3.88 0.08 1.44 -4.23 -1.26 -4.50 115.64 109.01 2w5k s THR 78 Ca 0.38 0.95 0.05 0.00 -1.18 0.00 0.00 61.69 61.89 2w5k s THR 78 Cb -0.10 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 2w5k s THR 78 CO 0.31 -0.47 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.75 2w5k s MET 79 N -3.90 0.84 -0.17 3.99 -1.94 -0.29 -4.86 119.30 112.98 2w5k s MET 79 Ca 0.64 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 53.31 2w5k s MET 79 Cb -0.15 -0.77 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 2w5k s MET 79 CO 0.33 0.16 1.37 0.45 -0.01 0.00 0.00 175.02 177.32 2w5k s SER 80 N -1.95 6.80 0.21 3.03 0.15 -1.26 -1.72 113.70 118.96 2w5k s SER 80 Ca 0.00 1.71 0.04 0.00 0.70 0.00 0.00 55.95 58.40 2w5k s SER 80 Cb -0.08 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 2w5k s SER 80 CO 0.02 -0.89 -0.04 0.27 1.20 0.00 0.00 173.24 173.81 2w5k s ILE 81 N 3.89 1.10 -0.10 6.45 -4.36 -0.48 -1.11 121.20 126.59 2w5k s ILE 81 Ca 0.60 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 2w5k s ILE 81 Cb -0.23 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.30 2w5k s ILE 81 CO 0.20 -0.45 -0.11 -0.89 0.24 0.00 0.00 174.94 173.92 2w5k s THR 82 N -3.38 1.24 -0.10 8.37 2.01 0.16 -1.66 115.64 122.28 2w5k s THR 82 Ca 0.25 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2w5k s THR 82 Cb 0.05 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2w5k s THR 82 CO 0.06 0.39 0.50 -0.62 -0.69 0.00 0.00 174.62 174.26 2w5k s ASP 83 N 1.24 6.73 -0.15 3.53 2.15 0.27 -1.12 116.67 129.32 2w5k s ASP 83 Ca -0.03 0.88 -0.00 0.00 0.43 0.00 0.00 52.55 53.83 2w5k s ASP 83 Cb -0.14 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.18 2w5k s ASP 83 CO -0.04 0.02 -0.14 0.00 -0.17 0.00 0.00 175.17 174.84 2w5k s ARG 85 N 0.72 0.64 0.44 0.00 3.52 -1.04 -1.35 118.95 121.88 2w5k s ARG 85 Ca -0.06 -0.10 -0.25 0.00 -0.13 0.00 0.00 55.73 55.19 2w5k s ARG 85 Cb -0.15 -0.67 -0.09 0.00 -1.56 0.00 0.00 34.95 32.47 2w5k s ARG 85 CO 0.01 -0.04 1.29 0.39 -0.81 0.00 0.00 175.30 176.15 2w5k n GLU 86 N 3.77 1.93 -1.84 5.12 1.02 -0.03 -1.09 120.64 129.52 2w5k n GLU 86 Ca -0.23 0.69 -0.30 0.00 -0.02 0.00 0.00 57.16 57.31 2w5k n GLU 86 Cb 0.52 -2.43 0.07 0.00 -0.02 0.00 0.00 31.44 29.59 2w5k n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2w5k s THR 87 N -1.22 2.73 -0.08 2.62 -4.23 -0.68 -4.81 115.64 109.98 2w5k s THR 87 Ca 0.62 0.24 0.31 0.00 -1.18 0.00 0.00 61.69 61.68 2w5k s THR 87 Cb -0.49 -3.20 0.36 0.00 1.34 0.00 0.00 72.50 70.51 2w5k s THR 87 CO 0.57 -0.31 1.90 1.23 -0.54 0.00 0.00 174.62 177.47 2w5k h GLY 88 N -0.92 0.00 -0.15 3.99 0.00 -1.94 -3.04 103.07 101.01 2w5k h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2w5k h GLY 88 CO 0.64 0.00 -0.90 -1.14 0.00 0.00 0.00 176.54 175.14 2w5k n SER 89 N -2.90 1.13 -4.73 0.19 3.41 -1.26 -4.99 113.62 104.48 2w5k n SER 89 Ca 0.01 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 2w5k n SER 89 Cb 0.31 0.92 -0.02 0.00 -0.26 0.00 0.00 64.21 65.16 2w5k n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2w5k n SER 90 N -1.27 3.71 -3.77 4.04 2.88 -1.15 -5.02 113.62 113.04 2w5k n SER 90 Ca 0.05 1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 58.58 2w5k n SER 90 Cb 0.34 -1.56 -0.14 0.00 -0.75 0.00 0.00 64.21 62.10 2w5k n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2w5k s LYS 91 N -0.16 0.08 0.39 -1.46 2.20 -1.22 -4.95 119.74 114.61 2w5k s LYS 91 Ca 0.67 0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 56.30 2w5k s LYS 91 Cb -0.52 -0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 35.56 2w5k s LYS 91 CO 0.46 -0.13 1.43 -0.47 -0.36 0.00 0.00 175.35 176.28 2w5k s TYR 92 N 0.91 2.65 -2.13 4.03 5.04 -1.26 -0.81 117.35 125.78 2w5k s TYR 92 Ca -0.07 1.24 0.16 0.00 -2.44 0.00 0.00 57.07 55.96 2w5k s TYR 92 Cb -0.09 -3.92 0.54 0.00 0.35 0.00 0.00 41.96 38.83 2w5k s TYR 92 CO -0.04 -2.74 1.41 -0.35 -1.34 0.00 0.00 175.55 172.49 2w5k n PRO 93 N 0.36 1.75 -2.98 4.97 -0.04 -1.26 -4.98 135.00 132.82 2w5k n PRO 93 Ca 0.02 -1.15 -0.44 0.00 -0.04 0.00 0.00 63.50 61.90 2w5k n PRO 93 Cb 0.40 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2w5k n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2w5k n ASN 94 N 0.39 5.68 -4.71 3.54 4.13 0.01 -5.01 115.26 119.29 2w5k n ASN 94 Ca 0.14 -3.16 -0.42 0.00 1.68 0.00 0.00 54.58 52.82 2w5k n ASN 94 Cb 0.31 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.12 2w5k n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2w5k s ALA 96 N 1.18 1.23 0.06 0.00 0.00 -1.26 -4.96 121.76 118.01 2w5k s ALA 96 Ca 0.64 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2w5k s ALA 96 Cb -0.35 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2w5k s ALA 96 CO 0.30 0.24 -0.14 0.71 0.00 0.00 0.00 175.76 176.86 2w5k s TYR 97 N -0.00 1.24 -0.06 0.00 1.51 -1.26 -1.69 117.35 117.08 2w5k s TYR 97 Ca -0.01 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.47 2w5k s TYR 97 Cb -0.09 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 2w5k s TYR 97 CO 0.01 0.06 0.39 0.21 -1.11 0.00 0.00 175.55 175.10 2w5k s LYS 98 N -1.57 4.06 -0.22 -0.62 2.20 -0.25 -4.69 119.74 118.65 2w5k s LYS 98 Ca -0.01 0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.85 2w5k s LYS 98 Cb -0.09 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2w5k s LYS 98 CO 0.02 0.49 0.11 0.99 -0.36 0.00 0.00 175.35 176.60 2w5k s THR 99 N -0.39 5.01 -0.16 3.43 2.01 -1.26 -2.50 115.64 121.78 2w5k s THR 99 Ca 0.22 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 2w5k s THR 99 Cb -0.15 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.09 2w5k s THR 99 CO 0.10 0.38 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.49 2w5k s THR 100 N 0.92 0.96 0.19 -0.82 2.01 -0.47 -5.00 115.64 113.43 2w5k s THR 100 Ca 0.06 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.29 2w5k s THR 100 Cb -0.13 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.12 2w5k s THR 100 CO 0.03 0.10 0.75 -1.10 -0.69 0.00 0.00 174.62 173.71 2w5k s GLN 101 N 1.70 4.42 0.19 4.92 -0.21 -1.26 -0.57 119.66 128.85 2w5k s GLN 101 Ca 0.01 1.03 -0.15 0.00 0.02 0.00 0.00 55.36 56.27 2w5k s GLN 101 Cb -0.15 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 30.79 2w5k s GLN 101 CO -0.07 0.49 0.46 0.00 -2.12 0.00 0.00 175.29 174.05 2w5k s ALA 102 N -1.32 -0.68 -0.29 6.09 0.00 -0.67 -4.97 121.76 119.92 2w5k s ALA 102 Ca 0.39 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2w5k s ALA 102 Cb -0.20 0.86 0.08 0.00 0.00 0.00 0.00 23.12 23.86 2w5k s ALA 102 CO 0.24 -0.77 -0.03 -0.80 0.00 0.00 0.00 175.76 174.40 2w5k s ASN 103 N -2.90 4.52 0.08 0.00 0.01 -1.26 -1.38 114.94 114.00 2w5k s ASN 103 Ca 0.12 -1.72 -0.04 0.00 -0.71 0.00 0.00 52.86 50.51 2w5k s ASN 103 Cb 0.00 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.11 2w5k s ASN 103 CO -0.02 -0.29 0.07 -0.54 -1.51 0.00 0.00 177.10 174.82 2w5k s LYS 104 N 1.06 0.76 0.44 -0.60 1.02 -0.70 -4.78 119.74 116.95 2w5k s LYS 104 Ca 0.01 -1.18 -0.23 0.00 0.02 0.00 0.00 55.97 54.59 2w5k s LYS 104 Cb -0.19 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.30 2w5k s LYS 104 CO -0.07 -0.20 1.15 -1.01 -0.92 0.00 0.00 175.35 174.30 2w5k s HIS 105 N -3.93 2.95 0.13 3.18 3.76 -0.28 -1.14 115.29 119.97 2w5k s HIS 105 Ca 0.10 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.63 2w5k s HIS 105 Cb 0.07 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 2w5k s HIS 105 CO -0.08 -1.38 -0.08 0.96 -0.85 0.00 0.00 174.74 173.31 2w5k s ILE 106 N -1.54 3.42 -0.13 0.60 -4.36 -1.26 -1.19 121.20 116.75 2w5k s ILE 106 Ca 0.62 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 59.66 2w5k s ILE 106 Cb -0.28 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.80 2w5k s ILE 106 CO 0.35 0.03 -0.18 -0.63 0.24 0.00 0.00 174.94 174.74 2w5k s ILE 107 N -1.41 1.74 0.12 8.37 1.01 -0.12 -1.02 121.20 129.90 2w5k s ILE 107 Ca 0.23 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.16 2w5k s ILE 107 Cb -0.10 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2w5k s ILE 107 CO 0.15 0.49 -0.14 0.68 0.00 0.00 0.00 174.94 176.12 2w5k s VAL 108 N 0.96 1.31 -0.04 2.92 -7.23 -0.42 -0.89 120.40 117.01 2w5k s VAL 108 Ca -0.06 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 2w5k s VAL 108 Cb -0.15 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2w5k s VAL 108 CO -0.03 -0.40 0.36 0.00 -0.31 0.00 0.00 175.10 174.72 2w5k s ALA 109 N -2.07 3.70 0.07 1.32 0.00 -0.35 -0.67 121.76 123.76 2w5k s ALA 109 Ca 0.08 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 51.83 2w5k s ALA 109 Cb -0.05 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2w5k s ALA 109 CO 0.03 0.42 -0.24 0.00 0.00 0.00 0.00 175.76 175.97 2w5k s GLU 111 N -1.56 1.10 0.12 0.00 -1.05 -0.80 -4.91 118.70 111.60 2w5k s GLU 111 Ca 0.13 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 2w5k s GLU 111 Cb -0.10 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 2w5k s GLU 111 CO 0.04 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.22 2w5k n GLY 112 N 0.03 -2.94 2.79 -3.83 0.00 -1.26 -3.04 105.19 96.94 2w5k n GLY 112 Ca -0.16 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2w5k n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2w5k s ASN 113 N -1.72 3.48 0.68 1.61 2.47 -1.26 -2.20 114.94 118.00 2w5k s ASN 113 Ca 0.00 -1.15 -0.13 0.00 0.42 0.00 0.00 52.86 52.00 2w5k s ASN 113 Cb 0.00 -0.83 0.01 0.00 -1.45 0.00 0.00 41.25 38.98 2w5k s ASN 113 CO 0.00 -0.32 1.09 -2.16 -3.72 0.00 0.00 177.10 171.99 2w5k s PRO 114 N 1.66 2.73 -0.61 0.43 0.04 -1.26 -5.10 135.00 132.90 2w5k s PRO 114 Ca 0.01 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.09 2w5k s PRO 114 Cb -0.18 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.48 2w5k s PRO 114 CO -0.12 -1.29 0.90 -0.47 0.04 0.00 0.00 177.00 176.06 2w5k s TYR 115 N -2.57 2.78 0.19 0.56 5.04 -0.93 -4.88 117.35 117.53 2w5k s TYR 115 Ca 0.64 -0.44 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 2w5k s TYR 115 Cb -0.18 -4.12 -0.05 0.00 0.35 0.00 0.00 41.96 37.96 2w5k s TYR 115 CO 0.46 -1.47 0.05 0.14 -1.34 0.00 0.00 175.55 173.39 2w5k s VAL 116 N 3.75 0.48 0.26 3.14 -7.23 -1.17 -4.86 120.40 114.77 2w5k s VAL 116 Ca 0.22 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 2w5k s VAL 116 Cb -0.17 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 2w5k s VAL 116 CO 0.12 -0.32 1.49 -2.84 -0.31 0.00 0.00 175.10 173.25 2w5k s PRO 117 N -3.99 4.22 0.00 4.82 0.02 -1.26 -1.90 135.00 136.90 2w5k s PRO 117 Ca 0.29 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2w5k s PRO 117 Cb 0.07 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2w5k s PRO 117 CO 0.07 -0.49 0.00 1.33 -0.33 0.00 0.00 177.00 177.57 2w5k n VAL 118 N 2.32 0.00 -3.84 3.83 0.24 0.40 -4.60 118.33 116.69 2w5k n VAL 118 Ca 0.07 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 2w5k n VAL 118 Cb 0.39 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 2w5k n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2w5k s HIS 119 N -1.21 -0.06 -0.33 6.34 3.76 -1.18 -4.59 115.29 118.02 2w5k s HIS 119 Ca 0.00 0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 54.87 2w5k s HIS 119 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.68 2w5k s HIS 119 CO 0.00 -0.24 0.39 0.12 -0.85 0.00 0.00 174.74 174.17 2w5k s PHE 120 N -0.90 3.21 -0.15 1.40 5.36 -1.26 -1.21 117.98 124.42 2w5k s PHE 120 Ca -0.10 0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 55.82 2w5k s PHE 120 Cb -0.05 -2.71 -0.11 0.00 -0.34 0.00 0.00 43.02 39.81 2w5k s PHE 120 CO 0.01 -0.42 0.14 0.22 -1.46 0.00 0.00 175.22 173.71 2w5k h ASP 121 N 8.42 0.00 -5.08 6.13 3.58 -1.37 -3.49 116.42 124.62 2w5k h ASP 121 Ca -0.30 -0.32 0.19 0.00 0.42 0.00 0.00 57.03 57.02 2w5k h ASP 121 Cb 1.14 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.07 2w5k h ASP 121 CO 0.70 0.97 0.59 0.00 -2.88 0.00 0.00 179.24 178.62 2w5k s ALA 122 N -2.50 -1.86 0.09 -0.78 0.00 -1.14 -5.00 121.76 110.58 2w5k s ALA 122 Ca -0.17 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2w5k s ALA 122 Cb 0.02 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 2w5k s ALA 122 CO 0.37 -0.89 -0.14 -1.54 0.00 0.00 0.00 175.76 173.56 2w5k s SER 123 N -2.72 4.14 0.00 0.00 1.04 -1.26 -0.94 113.70 113.95 2w5k s SER 123 Ca 0.10 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2w5k s SER 123 Cb -0.00 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.40 2w5k s SER 123 CO -0.03 0.20 0.05 1.33 0.98 0.00 0.00 173.24 175.77