#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpq n ALA 2 N 0.00 -2.04 -3.65 3.04 0.00 -1.26 -5.00 120.51 111.60 2gpq n ALA 2 Ca 0.00 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2gpq n ALA 2 Cb 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 17.85 2gpq n ALA 2 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2gpq s THR 3 N -0.57 2.61 -0.09 0.00 -1.32 -1.26 -5.11 115.64 109.89 2gpq s THR 3 Ca 0.00 -0.77 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2gpq s THR 3 Cb 0.00 -2.12 -0.03 0.00 -1.51 0.00 0.00 72.50 68.84 2gpq s THR 3 CO 0.00 0.51 -0.00 0.54 -2.21 0.00 0.00 174.62 173.45 2gpq s VAL 4 N 1.07 4.27 0.45 5.08 0.11 -1.26 -5.11 120.40 125.01 2gpq s VAL 4 Ca -0.00 -0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 58.57 2gpq s VAL 4 Cb -0.14 -2.80 -0.09 0.00 -1.53 0.00 0.00 36.38 31.81 2gpq s VAL 4 CO -0.04 0.60 1.00 -1.83 -3.33 0.00 0.00 175.10 171.50 2gpq s GLU 5 N -0.78 4.02 -0.56 1.54 4.04 -1.26 -4.96 118.70 120.74 2gpq s GLU 5 Ca 0.12 1.29 -0.27 0.00 0.04 0.00 0.00 54.97 56.15 2gpq s GLU 5 Cb -0.11 -2.20 -0.02 0.00 0.02 0.00 0.00 34.13 31.82 2gpq s GLU 5 CO 0.02 -0.23 1.79 -1.25 -1.84 0.00 0.00 175.26 173.75 2gpq s PRO 6 N -3.09 2.83 -0.04 -4.83 0.04 -1.26 -4.83 135.00 123.82 2gpq s PRO 6 Ca 0.64 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.37 2gpq s PRO 6 Cb -0.14 -4.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.06 2gpq s PRO 6 CO 0.18 -2.49 -0.06 -1.91 0.04 0.00 0.00 177.00 172.76 2gpq n GLU 7 N 9.00 0.11 -4.21 4.56 0.00 -1.26 -4.98 120.64 123.85 2gpq n GLU 7 Ca 0.20 0.10 -0.35 0.00 0.00 0.00 0.00 57.16 57.11 2gpq n GLU 7 Cb 0.51 -0.75 -0.10 0.00 0.00 0.00 0.00 31.44 31.10 2gpq n GLU 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2gpq s THR 8 N -1.37 4.48 0.12 6.31 2.01 -1.26 -5.11 115.64 120.82 2gpq s THR 8 Ca -0.05 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.88 2gpq s THR 8 Cb 0.01 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2gpq s THR 8 CO 0.08 0.53 -0.23 0.28 -0.69 0.00 0.00 174.62 174.58 2gpq s THR 9 N -0.13 1.94 0.96 -0.82 -1.32 -1.26 -5.13 115.64 109.87 2gpq s THR 9 Ca 0.05 -1.64 -0.13 0.00 -1.21 0.00 0.00 61.69 58.76 2gpq s THR 9 Cb -0.12 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 69.15 2gpq s THR 9 CO 0.02 -0.01 0.30 -2.65 -2.21 0.00 0.00 174.62 170.07 2gpq n PRO 10 N 0.99 -0.28 -2.28 7.08 -0.02 -1.26 -4.86 135.00 134.38 2gpq n PRO 10 Ca -0.19 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.82 2gpq n PRO 10 Cb 0.53 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 2gpq n PRO 10 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2gpq s THR 11 N -2.36 3.91 0.39 3.45 2.01 -1.26 -4.98 115.64 116.80 2gpq s THR 11 Ca 0.55 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 63.30 2gpq s THR 11 Cb -0.21 -3.96 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 2gpq s THR 11 CO 0.69 -0.42 1.38 -2.84 -0.69 0.00 0.00 174.62 172.73 2gpq s PRO 12 N 4.49 4.05 -0.32 4.92 0.02 -1.26 -4.94 135.00 141.95 2gpq s PRO 12 Ca 0.64 2.33 0.04 0.00 0.02 0.00 0.00 61.00 64.03 2gpq s PRO 12 Cb -0.20 -2.87 0.17 0.00 0.02 0.00 0.00 34.50 31.62 2gpq s PRO 12 CO 0.27 -0.49 1.14 -1.71 -0.33 0.00 0.00 177.00 175.87 2gpq n ASN 13 N 0.32 -1.31 -0.22 2.53 5.15 -1.26 -5.05 115.26 115.41 2gpq n ASN 13 Ca 0.02 -1.88 -0.10 0.00 -0.60 0.00 0.00 54.58 52.03 2gpq n ASN 13 Cb 0.42 0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 40.54 2gpq n ASN 13 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gpq h PRO 14 N 1.32 -0.22 -7.34 1.20 0.13 -2.04 -3.42 132.00 121.62 2gpq h PRO 14 Ca -0.45 0.02 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 2gpq h PRO 14 Cb 1.25 0.05 0.16 0.00 0.13 0.00 0.00 31.00 32.59 2gpq h PRO 14 CO -0.15 -0.15 0.19 -1.25 -0.23 0.00 0.00 178.00 176.40 2gpq s PRO 15 N -5.76 0.41 0.09 1.56 0.04 -1.26 -4.97 135.00 125.11 2gpq s PRO 15 Ca -0.14 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2gpq s PRO 15 Cb 0.12 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2gpq s PRO 15 CO 0.65 -2.76 0.00 -2.37 0.04 0.00 0.00 177.00 172.56 2gpq n THR 16 N -4.20 0.00 -1.14 1.26 5.66 -1.26 -5.16 114.28 109.43 2gpq n THR 16 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2gpq n THR 16 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 2gpq n THR 16 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gpq n THR 17 N -2.63 0.00 -3.50 1.09 5.66 -1.26 -4.93 114.28 108.71 2gpq n THR 17 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gpq n THR 17 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2gpq n THR 17 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2gpq n GLU 18 N -0.31 2.99 0.00 1.09 -0.00 -1.26 -5.08 120.64 118.07 2gpq n GLU 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2gpq n GLU 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2gpq n GLU 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2gpq n GLU 19 N -0.00 0.00 0.00 3.44 2.13 -1.26 -4.86 120.64 120.09 2gpq n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gpq n GLU 19 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2gpq n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2gpq n GLU 20 N -0.37 0.00 -1.06 5.31 2.13 -1.26 -4.92 120.64 120.48 2gpq n GLU 20 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2gpq n GLU 20 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 2gpq n GLU 20 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2gpq n LYS 21 N 0.00 0.07 -2.89 5.31 3.00 -1.26 -4.99 118.16 117.39 2gpq n LYS 21 Ca 0.00 0.08 -0.19 0.00 -0.00 0.00 0.00 58.31 58.20 2gpq n LYS 21 Cb 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 35.03 33.06 2gpq n LYS 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2gpq s THR 22 N -2.14 2.63 -0.40 3.15 -4.23 -1.26 -5.09 115.64 108.31 2gpq s THR 22 Ca 0.65 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2gpq s THR 22 Cb -0.29 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2gpq s THR 22 CO 0.59 0.00 1.01 -1.84 -0.54 0.00 0.00 174.62 173.84 2gpq n GLU 23 N -2.16 0.28 -1.85 3.99 -0.00 -1.26 -5.17 120.64 114.48 2gpq n GLU 23 Ca 0.11 -1.18 0.00 0.00 -0.00 0.00 0.00 57.16 56.08 2gpq n GLU 23 Cb 0.60 -0.48 0.00 0.00 -0.00 0.00 0.00 31.44 31.56 2gpq n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gpq n SER 24 N 2.42 1.91 -3.37 -1.84 2.88 -1.26 -5.18 113.62 109.19 2gpq n SER 24 Ca 0.11 -0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 56.62 2gpq n SER 24 Cb 0.63 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 2gpq n SER 24 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2gpq s ASN 25 N -0.85 0.35 0.00 -3.46 3.04 -1.26 -4.99 114.94 107.77 2gpq s ASN 25 Ca 0.00 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 51.69 2gpq s ASN 25 Cb 0.00 0.70 0.00 0.00 -1.54 0.00 0.00 41.25 40.41 2gpq s ASN 25 CO 0.00 -1.38 0.00 1.67 -3.04 0.00 0.00 177.10 174.35 2gpq n GLN 26 N -0.51 0.00 -2.19 0.43 7.27 -1.26 -4.69 117.38 116.44 2gpq n GLN 26 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.93 2gpq n GLN 26 Cb 0.61 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.25 2gpq n GLN 26 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2gpq n GLU 27 N 0.00 -2.06 -3.83 3.69 -0.58 -1.26 -4.87 120.64 111.72 2gpq n GLU 27 Ca 0.00 0.57 -0.07 0.00 -0.42 0.00 0.00 57.16 57.24 2gpq n GLU 27 Cb 0.00 -5.07 -0.02 0.00 -0.57 0.00 0.00 31.44 25.78 2gpq n GLU 27 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2gpq s VAL 28 N -2.42 0.00 0.00 2.62 -7.23 -1.23 -4.87 120.40 107.27 2gpq s VAL 28 Ca 0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 2gpq s VAL 28 Cb 0.00 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2gpq s VAL 28 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2gpq n ALA 29 N -0.46 2.34 0.03 1.32 0.00 0.86 -4.79 120.51 119.81 2gpq n ALA 29 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gpq n ALA 29 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2gpq n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2gpq n ASN 30 N -1.51 -0.49 -0.03 0.00 5.03 -1.26 -5.00 115.26 112.01 2gpq n ASN 30 Ca 0.00 0.44 -0.13 0.00 0.87 0.00 0.00 54.58 55.76 2gpq n ASN 30 Cb 0.00 0.80 -0.08 0.00 -1.02 0.00 0.00 39.78 39.48 2gpq n ASN 30 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2gpq h PRO 31 N 0.00 0.14 0.00 3.52 0.13 -2.05 -3.45 132.00 130.29 2gpq h PRO 31 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2gpq h PRO 31 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2gpq h PRO 31 CO 0.00 0.49 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 2gpq n GLU 32 N -4.80 0.00 0.08 0.86 1.02 -1.26 -5.10 120.64 111.44 2gpq n GLU 32 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2gpq n GLU 32 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 2gpq n GLU 32 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2gpq n HIS 33 N -1.53 -2.97 -1.67 -0.32 1.44 -1.26 -4.68 115.22 104.24 2gpq n HIS 33 Ca 0.00 0.58 -0.01 0.00 -2.01 0.00 0.00 57.72 56.28 2gpq n HIS 33 Cb 0.00 1.69 -0.01 0.00 0.12 0.00 0.00 29.99 31.79 2gpq n HIS 33 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2gpq n TYR 34 N -2.82 -0.67 -3.64 -1.40 4.01 -1.26 -0.10 117.16 111.29 2gpq n TYR 34 Ca 0.00 0.37 -0.28 0.00 -0.16 0.00 0.00 57.90 57.83 2gpq n TYR 34 Cb 0.00 -1.87 -0.16 0.00 -0.31 0.00 0.00 39.34 37.00 2gpq n TYR 34 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2gpq s ILE 35 N -0.13 0.26 -0.08 -0.72 -1.16 -1.26 -4.48 121.20 113.64 2gpq s ILE 35 Ca -0.04 -0.71 -0.00 0.00 -0.51 0.00 0.00 60.65 59.39 2gpq s ILE 35 Cb 0.00 -1.04 0.02 0.00 0.61 0.00 0.00 42.46 42.06 2gpq s ILE 35 CO 0.12 -0.49 -0.04 -0.54 -2.81 0.00 0.00 174.94 171.18 2gpq s LYS 36 N 1.95 0.99 -0.06 3.50 1.02 -1.26 -4.68 119.74 121.20 2gpq s LYS 36 Ca 0.05 -0.07 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2gpq s LYS 36 Cb -0.17 -1.15 0.04 0.00 -0.52 0.00 0.00 37.83 36.03 2gpq s LYS 36 CO -0.21 -0.23 0.11 -3.38 -0.92 0.00 0.00 175.35 170.72 2gpq s HIS 37 N 1.60 -0.09 0.37 3.18 -3.43 -1.26 -5.01 115.29 110.64 2gpq s HIS 37 Ca 0.01 0.40 -0.25 0.00 -0.80 0.00 0.00 55.06 54.42 2gpq s HIS 37 Cb -0.13 -0.22 -0.09 0.00 -1.43 0.00 0.00 32.58 30.70 2gpq s HIS 37 CO -0.04 -0.18 1.00 -1.25 -2.00 0.00 0.00 174.74 172.27 2gpq s PRO 38 N 1.59 4.35 0.36 -0.38 0.04 -1.26 -2.22 135.00 137.48 2gpq s PRO 38 Ca -0.04 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 2gpq s PRO 38 Cb -0.12 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 2gpq s PRO 38 CO -0.05 0.04 0.75 -0.51 0.04 0.00 0.00 177.00 177.27 2gpq s LEU 39 N -2.41 3.97 0.60 -3.56 1.43 0.27 -4.90 118.68 114.07 2gpq s LEU 39 Ca 0.55 1.23 0.29 0.00 -1.03 0.00 0.00 54.13 55.16 2gpq s LEU 39 Cb -0.20 -4.06 1.55 0.00 0.03 0.00 0.00 46.19 43.51 2gpq s LEU 39 CO 0.26 -0.28 1.96 1.56 0.23 0.00 0.00 176.35 180.08 2gpq h GLN 40 N 1.86 0.00 0.00 1.70 1.08 -1.97 -3.43 115.11 114.36 2gpq h GLN 40 Ca -0.48 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.32 2gpq h GLN 40 Cb 1.18 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.51 2gpq h GLN 40 CO 0.65 0.00 -0.37 0.27 -0.95 0.00 0.00 178.83 178.43 2gpq n ASN 41 N -3.66 0.20 -4.52 1.46 6.94 -1.26 -5.15 115.26 109.26 2gpq n ASN 41 Ca 0.05 -2.71 -0.34 0.00 -0.02 0.00 0.00 54.58 51.56 2gpq n ASN 41 Cb 0.53 1.09 -0.12 0.00 -2.36 0.00 0.00 39.78 38.93 2gpq n ASN 41 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2gpq s ARG 42 N -3.13 3.74 -0.16 -3.83 3.52 -1.26 -4.48 118.95 113.35 2gpq s ARG 42 Ca 0.25 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2gpq s ARG 42 Cb 0.01 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 2gpq s ARG 42 CO 0.17 0.18 -0.01 -1.58 -0.81 0.00 0.00 175.30 173.25 2gpq s TRP 43 N 0.55 3.08 0.16 5.12 0.52 0.43 -0.02 118.94 128.78 2gpq s TRP 43 Ca -0.01 -0.20 0.07 0.00 0.02 0.00 0.00 56.10 55.98 2gpq s TRP 43 Cb -0.14 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2gpq s TRP 43 CO 0.02 0.02 0.01 0.00 0.02 0.00 0.00 176.95 177.02 2gpq s ALA 44 N 0.34 3.24 -0.06 0.98 0.00 -0.74 0.84 121.76 126.35 2gpq s ALA 44 Ca -0.02 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2gpq s ALA 44 Cb -0.14 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.94 2gpq s ALA 44 CO 0.02 0.53 -0.07 -0.48 0.00 0.00 0.00 175.76 175.76 2gpq s LEU 45 N -2.82 1.40 0.07 0.00 0.05 0.94 -1.70 118.68 116.62 2gpq s LEU 45 Ca 0.27 -0.21 0.07 0.00 0.05 0.00 0.00 54.13 54.32 2gpq s LEU 45 Cb -0.10 -0.63 -0.04 0.00 -2.05 0.00 0.00 46.19 43.38 2gpq s LEU 45 CO 0.19 -0.03 -0.15 0.26 -0.55 0.00 0.00 176.35 176.06 2gpq s TRP 46 N 0.94 2.62 -0.05 3.48 0.52 -0.13 -2.23 118.94 124.09 2gpq s TRP 46 Ca -0.10 -0.22 0.03 0.00 0.02 0.00 0.00 56.10 55.83 2gpq s TRP 46 Cb -0.15 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.74 2gpq s TRP 46 CO 0.00 0.34 -0.14 0.12 0.02 0.00 0.00 176.95 177.29 2gpq s PHE 47 N -1.05 1.50 -0.17 -1.98 5.36 0.40 -1.73 117.98 120.30 2gpq s PHE 47 Ca 0.17 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 2gpq s PHE 47 Cb -0.11 -1.05 0.03 0.00 -0.34 0.00 0.00 43.02 41.56 2gpq s PHE 47 CO 0.09 -0.20 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.48 2gpq s PHE 48 N 0.30 2.22 -0.02 10.12 0.08 0.39 -1.65 117.98 129.43 2gpq s PHE 48 Ca -0.08 -1.38 0.00 0.00 0.12 0.00 0.00 56.93 55.59 2gpq s PHE 48 Cb -0.13 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2gpq s PHE 48 CO 0.03 -0.70 0.01 0.21 -0.10 0.00 0.00 175.22 174.67 2gpq s LYS 49 N 1.46 0.07 -0.26 0.44 2.36 -1.20 -0.28 119.74 122.33 2gpq s LYS 49 Ca 0.01 0.10 -0.21 0.00 -2.55 0.00 0.00 55.97 53.32 2gpq s LYS 49 Cb -0.15 -0.24 -0.01 0.00 -1.05 0.00 0.00 37.83 36.38 2gpq s LYS 49 CO -0.09 -0.10 0.66 -0.80 1.55 0.00 0.00 175.35 176.57 2gpq s ASN 50 N 0.72 6.60 0.08 1.43 0.01 -1.23 -4.80 114.94 117.76 2gpq s ASN 50 Ca -0.06 0.71 0.02 0.00 -0.71 0.00 0.00 52.86 52.82 2gpq s ASN 50 Cb -0.09 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2gpq s ASN 50 CO -0.02 -0.42 0.11 1.51 -1.51 0.00 0.00 177.10 176.77 2gpq s ASP 51 N 1.49 5.70 -0.99 -1.22 1.47 -1.26 -4.93 116.67 116.93 2gpq s ASP 51 Ca 0.27 0.05 -0.14 0.00 1.18 0.00 0.00 52.55 53.92 2gpq s ASP 51 Cb -0.15 -1.58 -0.09 0.00 -0.34 0.00 0.00 42.92 40.76 2gpq s ASP 51 CO 0.09 0.17 2.13 0.29 0.68 0.00 0.00 175.17 178.52 2gpq n LYS 52 N 0.40 2.09 0.00 2.11 5.02 -1.26 -2.56 118.16 123.96 2gpq n LYS 52 Ca -0.08 -1.81 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 2gpq n LYS 52 Cb 0.52 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 2gpq n LYS 52 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2gpq n SER 53 N 5.67 0.00 -4.97 4.39 7.64 -1.26 -5.15 113.62 119.94 2gpq n SER 53 Ca 0.50 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.17 2gpq n SER 53 Cb 0.28 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2gpq n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2gpq s LYS 54 N 0.00 3.22 0.35 1.43 -0.14 -1.06 -5.11 119.74 118.43 2gpq s LYS 54 Ca 0.00 -0.74 -0.05 0.00 -1.36 0.00 0.00 55.97 53.82 2gpq s LYS 54 Cb 0.00 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 2gpq s LYS 54 CO 0.00 0.07 0.62 -0.08 -0.76 0.00 0.00 175.35 175.20 2gpq s THR 55 N -2.25 4.99 0.47 2.17 -1.32 -1.26 -4.63 115.64 113.81 2gpq s THR 55 Ca 0.43 0.05 0.16 0.00 -1.21 0.00 0.00 61.69 61.12 2gpq s THR 55 Cb -0.10 -3.78 0.21 0.00 -1.51 0.00 0.00 72.50 67.33 2gpq s THR 55 CO 0.33 -0.48 2.04 -0.50 -2.21 0.00 0.00 174.62 173.80 2gpq h TRP 56 N 1.21 0.00 -0.63 9.09 6.55 -1.98 -0.10 115.95 130.09 2gpq h TRP 56 Ca -0.48 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.36 2gpq h TRP 56 Cb 1.20 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.47 2gpq h TRP 56 CO 0.57 0.13 0.39 1.96 -1.05 0.00 0.00 178.44 180.44 2gpq h GLN 57 N 0.00 0.85 -0.02 0.49 7.50 -2.01 -2.72 115.11 119.20 2gpq h GLN 57 Ca -0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.08 2gpq h GLN 57 Cb 0.24 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.59 2gpq h GLN 57 CO 0.02 0.60 -0.23 0.00 -1.50 0.00 0.00 178.83 177.71 2gpq n ALA 58 N -2.29 3.02 0.26 3.87 0.00 -0.99 -4.31 120.51 120.07 2gpq n ALA 58 Ca 0.05 -0.57 0.18 0.00 0.00 0.00 0.00 53.44 53.09 2gpq n ALA 58 Cb 0.05 -0.93 0.87 0.00 0.00 0.00 0.00 19.45 19.43 2gpq n ALA 58 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2gpq h ASN 59 N 2.74 0.00 -3.48 0.00 -1.07 -0.68 -3.39 115.58 109.70 2gpq h ASN 59 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 2gpq h ASN 59 Cb 0.72 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.91 2gpq h ASN 59 CO 0.00 0.00 0.97 -0.76 0.07 0.00 0.00 177.43 177.71 2gpq s LEU 60 N -6.60 3.68 0.04 6.14 1.02 -1.26 -3.23 118.68 118.47 2gpq s LEU 60 Ca -0.04 0.72 0.07 0.00 0.02 0.00 0.00 54.13 54.89 2gpq s LEU 60 Cb 0.12 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.76 2gpq s LEU 60 CO 0.41 -1.25 -0.19 -0.60 0.02 0.00 0.00 176.35 174.75 2gpq s ARG 61 N 4.48 1.27 -0.08 1.70 6.06 -0.66 -5.02 118.95 126.69 2gpq s ARG 61 Ca 0.52 -0.90 -0.13 0.00 -2.50 0.00 0.00 55.73 52.73 2gpq s ARG 61 Cb -0.11 -1.36 -0.05 0.00 0.06 0.00 0.00 34.95 33.50 2gpq s ARG 61 CO 0.29 0.34 0.31 -1.17 -2.50 0.00 0.00 175.30 172.58 2gpq s LEU 62 N -1.18 4.37 -0.13 -0.88 2.96 -1.26 -0.45 118.68 122.12 2gpq s LEU 62 Ca 0.06 0.70 -0.08 0.00 -0.22 0.00 0.00 54.13 54.60 2gpq s LEU 62 Cb -0.09 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 2gpq s LEU 62 CO 0.02 0.26 -0.15 0.40 -1.32 0.00 0.00 176.35 175.56 2gpq h ILE 63 N 4.12 0.00 -1.63 6.68 2.04 -1.78 -3.46 117.51 123.48 2gpq h ILE 63 Ca -0.49 -0.92 0.39 0.00 1.00 0.00 0.00 64.86 64.83 2gpq h ILE 63 Cb 1.20 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.18 2gpq h ILE 63 CO 0.66 0.00 0.97 -0.94 0.00 0.00 0.00 178.15 178.83 2gpq s SER 64 N -5.54 -0.01 0.04 1.72 1.04 -1.07 -5.05 113.70 104.82 2gpq s SER 64 Ca -0.12 -0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 2gpq s SER 64 Cb 0.02 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 2gpq s SER 64 CO 0.18 -0.10 0.09 -0.54 0.98 0.00 0.00 173.24 173.85 2gpq s LYS 65 N -2.06 0.58 0.11 4.02 1.02 -1.26 -0.04 119.74 122.11 2gpq s LYS 65 Ca 0.24 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.25 2gpq s LYS 65 Cb 0.03 0.23 0.06 0.00 -0.52 0.00 0.00 37.83 37.63 2gpq s LYS 65 CO -0.04 -0.14 0.57 -0.06 -0.92 0.00 0.00 175.35 174.76 2gpq s PHE 66 N -2.58 -0.49 -0.21 3.18 0.08 0.25 -4.90 117.98 113.29 2gpq s PHE 66 Ca -0.05 0.41 0.12 0.00 0.12 0.00 0.00 56.93 57.52 2gpq s PHE 66 Cb -0.01 0.46 0.44 0.00 -0.57 0.00 0.00 43.02 43.34 2gpq s PHE 66 CO -0.04 -0.76 1.20 -0.40 -0.10 0.00 0.00 175.22 175.12 2gpq n ASP 67 N -0.04 2.53 -3.69 1.36 5.75 -1.26 0.16 116.55 121.36 2gpq n ASP 67 Ca -0.17 -3.58 -0.13 0.00 -0.01 0.00 0.00 54.79 50.90 2gpq n ASP 67 Cb 0.63 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 40.18 2gpq n ASP 67 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2gpq s THR 68 N -3.32 -0.00 0.16 2.12 2.01 -1.26 0.96 115.64 116.30 2gpq s THR 68 Ca 0.41 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 2gpq s THR 68 Cb 0.38 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2gpq s THR 68 CO -0.05 0.00 1.82 1.62 -0.69 0.00 0.00 174.62 177.32 2gpq h VAL 69 N 4.38 1.10 0.00 3.82 3.04 -1.80 0.46 116.25 127.26 2gpq h VAL 69 Ca -0.28 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 2gpq h VAL 69 Cb 1.18 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2gpq h VAL 69 CO 0.17 0.10 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.70 2gpq h GLU 70 N 0.56 0.00 0.01 4.17 4.57 -1.83 -1.00 114.58 121.06 2gpq h GLU 70 Ca 0.15 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2gpq h GLU 70 Cb -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2gpq h GLU 70 CO -0.04 0.06 -0.00 0.22 -1.18 0.00 0.00 179.01 178.07 2gpq h ASP 71 N 0.00 -0.01 -1.12 1.04 1.82 -1.72 -2.35 116.42 114.09 2gpq h ASP 71 Ca -0.00 0.00 0.32 0.00 -0.39 0.00 0.00 57.03 56.96 2gpq h ASP 71 Cb 0.10 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 2gpq h ASP 71 CO 0.01 0.21 0.83 0.15 -1.61 0.00 0.00 179.24 178.82 2gpq h PHE 72 N -0.44 0.00 0.08 0.28 3.04 -0.96 0.32 116.94 119.27 2gpq h PHE 72 Ca -0.00 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.71 2gpq h PHE 72 Cb 0.01 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.54 2gpq h PHE 72 CO 0.00 0.00 -1.00 -1.49 -2.02 0.00 0.00 178.31 173.80 2gpq h TRP 73 N 0.00 0.85 -0.68 0.41 4.06 -1.29 -1.81 115.95 117.49 2gpq h TRP 73 Ca 0.53 -0.52 0.12 0.00 2.06 0.00 0.00 58.89 61.08 2gpq h TRP 73 Cb 2.18 -0.07 -0.08 0.00 -1.00 0.00 0.00 29.16 30.18 2gpq h TRP 73 CO 0.00 1.36 0.25 0.00 -3.56 0.00 0.00 178.44 176.50 2gpq h ALA 74 N 0.27 0.91 0.09 1.49 0.00 0.21 -0.98 119.26 121.25 2gpq h ALA 74 Ca -0.15 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 2gpq h ALA 74 Cb 1.70 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2gpq h ALA 74 CO 0.19 -0.21 -1.19 1.25 0.00 0.00 0.00 179.25 179.30 2gpq h LEU 75 N 0.41 0.30 -2.07 0.00 6.46 -1.57 -3.26 115.31 115.60 2gpq h LEU 75 Ca 0.36 -0.33 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2gpq h LEU 75 Cb 0.50 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2gpq h LEU 75 CO -0.36 1.26 0.06 0.22 -0.62 0.00 0.00 178.44 179.00 2gpq h TYR 76 N 0.05 0.00 0.00 1.25 5.03 -0.42 -0.13 116.97 122.75 2gpq h TYR 76 Ca -0.10 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.16 2gpq h TYR 76 Cb 1.92 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.19 2gpq h TYR 76 CO 0.05 0.00 -0.24 -0.97 -1.32 0.00 0.00 178.16 175.67 2gpq h ASN 77 N 0.00 0.00 -0.26 -2.11 -0.73 -1.25 0.58 115.58 111.81 2gpq h ASN 77 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2gpq h ASN 77 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2gpq h ASN 77 CO -0.00 0.24 0.00 1.41 -0.37 0.00 0.00 177.43 178.71 2gpq n HIS 78 N -3.35 0.35 0.00 0.67 8.25 -0.07 -4.34 115.22 116.73 2gpq n HIS 78 Ca 0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2gpq n HIS 78 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2gpq n HIS 78 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2gpq n ILE 79 N 0.34 0.00 -2.79 1.59 -5.35 -1.06 -5.01 119.36 107.08 2gpq n ILE 79 Ca 0.12 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.17 2gpq n ILE 79 Cb 0.27 -0.19 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 2gpq n ILE 79 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2gpq s GLN 80 N -1.40 3.29 0.00 6.28 2.00 0.20 -3.53 119.66 126.50 2gpq s GLN 80 Ca 0.00 -0.99 0.00 0.00 -2.00 0.00 0.00 55.36 52.37 2gpq s GLN 80 Cb 0.00 -4.52 0.00 0.00 0.80 0.00 0.00 33.01 29.29 2gpq s GLN 80 CO 0.00 -1.90 0.00 1.28 -0.50 0.00 0.00 175.29 174.17 2gpq n LEU 81 N 7.83 0.00 -0.72 3.68 4.77 -1.26 -4.66 117.00 126.64 2gpq n LEU 81 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2gpq n LEU 81 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2gpq n LEU 81 CO 0.62 0.00 -0.09 -0.24 -1.33 0.00 0.00 177.39 176.35 2gpq n SER 82 N 0.00 -4.22 0.11 -1.43 2.88 -1.26 -4.89 113.62 104.81 2gpq n SER 82 Ca 0.00 0.23 0.06 0.00 -1.33 0.00 0.00 58.87 57.83 2gpq n SER 82 Cb 0.00 -2.54 0.01 0.00 -0.75 0.00 0.00 64.21 60.92 2gpq n SER 82 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2gpq h SER 83 N 0.00 0.00 -1.00 -3.46 0.02 -1.91 -3.41 113.55 103.79 2gpq h SER 83 Ca -0.19 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.37 2gpq h SER 83 Cb 0.64 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.92 2gpq h SER 83 CO 0.28 0.30 -0.80 0.59 -1.14 0.00 0.00 176.83 176.06 2gpq n ASN 84 N -2.94 -1.33 -0.46 3.07 3.02 -1.25 -4.94 115.26 110.43 2gpq n ASN 84 Ca -0.02 -3.03 0.07 0.00 -0.03 0.00 0.00 54.58 51.57 2gpq n ASN 84 Cb 0.68 0.61 0.16 0.00 -0.61 0.00 0.00 39.78 40.62 2gpq n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2gpq n LEU 85 N 1.44 2.31 -4.90 3.41 7.99 -1.26 -4.84 117.00 121.14 2gpq n LEU 85 Ca 0.15 -3.32 -0.29 0.00 -0.01 0.00 0.00 56.01 52.55 2gpq n LEU 85 Cb 0.59 -0.43 0.08 0.00 -0.11 0.00 0.00 43.42 43.55 2gpq n LEU 85 CO 0.11 1.02 0.75 -0.04 -1.51 0.00 0.00 177.39 177.72 2gpq s MET 86 N -2.71 2.12 0.31 3.23 -1.94 -1.26 -4.93 119.30 114.12 2gpq s MET 86 Ca 0.33 0.08 -0.29 0.00 -1.71 0.00 0.00 55.69 54.11 2gpq s MET 86 Cb 0.32 -2.00 -0.12 0.00 2.01 0.00 0.00 34.83 35.03 2gpq s MET 86 CO -0.04 -1.46 1.39 -2.30 -0.01 0.00 0.00 175.02 172.61 2gpq n PRO 87 N -3.20 2.27 -1.04 2.03 -0.02 -1.25 -2.07 135.00 131.72 2gpq n PRO 87 Ca 0.08 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.34 2gpq n PRO 87 Cb 0.60 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2gpq n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gpq n GLY 88 N 1.30 0.51 3.81 -1.23 0.00 -1.21 -4.60 105.19 103.77 2gpq n GLY 88 Ca 0.07 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2gpq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpq s ASP 90 N -1.73 -0.32 0.01 0.00 -1.08 0.62 -2.59 116.67 111.57 2gpq s ASP 90 Ca 0.46 0.61 0.01 0.00 -0.52 0.00 0.00 52.55 53.12 2gpq s ASP 90 Cb -0.16 0.57 -0.01 0.00 -1.46 0.00 0.00 42.92 41.86 2gpq s ASP 90 CO 0.21 -0.13 -0.05 -0.47 0.52 0.00 0.00 175.17 175.25 2gpq s TYR 91 N 0.54 0.44 -0.27 -5.34 6.14 -0.33 -0.46 117.35 118.08 2gpq s TYR 91 Ca -0.03 -0.17 -0.24 0.00 0.64 0.00 0.00 57.07 57.27 2gpq s TYR 91 Cb -0.05 -0.28 0.07 0.00 0.42 0.00 0.00 41.96 42.12 2gpq s TYR 91 CO -0.03 -0.03 0.70 -1.12 0.64 0.00 0.00 175.55 175.71 2gpq s SER 92 N -0.44 -0.75 -0.07 4.32 0.01 -0.71 0.19 113.70 116.25 2gpq s SER 92 Ca -0.01 1.42 0.01 0.00 1.31 0.00 0.00 55.95 58.68 2gpq s SER 92 Cb -0.04 1.43 0.02 0.00 0.21 0.00 0.00 66.02 67.64 2gpq s SER 92 CO -0.00 -0.24 -0.08 -1.48 0.41 0.00 0.00 173.24 171.85 2gpq s LEU 93 N 0.50 1.35 0.36 2.44 2.34 -0.85 -0.95 118.68 123.87 2gpq s LEU 93 Ca -0.01 -0.23 -0.02 0.00 0.06 0.00 0.00 54.13 53.94 2gpq s LEU 93 Cb -0.05 -0.68 0.01 0.00 -0.56 0.00 0.00 46.19 44.91 2gpq s LEU 93 CO -0.01 -0.05 0.50 0.72 -1.06 0.00 0.00 176.35 176.45 2gpq s PHE 94 N 1.09 1.12 -0.08 3.48 -0.12 -0.69 -2.24 117.98 120.53 2gpq s PHE 94 Ca -0.07 -1.34 -0.35 0.00 -0.05 0.00 0.00 56.93 55.11 2gpq s PHE 94 Cb -0.14 -0.08 -0.13 0.00 -0.63 0.00 0.00 43.02 42.04 2gpq s PHE 94 CO -0.01 -1.18 1.78 1.17 -0.05 0.00 0.00 175.22 176.93 2gpq n LYS 95 N -0.60 1.92 0.05 1.99 4.81 -0.93 -1.80 118.16 123.61 2gpq n LYS 95 Ca 0.01 0.70 0.21 0.00 -0.87 0.00 0.00 58.31 58.36 2gpq n LYS 95 Cb 0.61 -2.49 0.68 0.00 0.02 0.00 0.00 35.03 33.85 2gpq n LYS 95 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2gpq h ASP 96 N 8.09 0.00 0.20 3.14 2.03 -0.77 0.29 116.42 129.41 2gpq h ASP 96 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2gpq h ASP 96 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2gpq h ASP 96 CO 0.93 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 2gpq n GLY 97 N -1.51 -0.98 3.64 7.15 0.00 -1.26 -4.76 105.19 107.47 2gpq n GLY 97 Ca 0.10 0.17 -0.55 0.00 0.00 0.00 0.00 46.02 45.74 2gpq n GLY 97 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gpq n ILE 98 N -2.27 0.14 -4.11 -0.61 3.06 0.10 -4.56 119.36 111.11 2gpq n ILE 98 Ca -0.00 -0.02 -0.10 0.00 -2.50 0.00 0.00 62.75 60.12 2gpq n ILE 98 Cb 0.09 -1.00 -0.10 0.00 0.54 0.00 0.00 39.64 39.17 2gpq n ILE 98 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 2gpq s GLU 99 N 1.85 0.67 -0.66 9.51 -1.05 -1.26 -5.01 118.70 122.75 2gpq s GLU 99 Ca 0.91 -1.15 -0.25 0.00 -0.15 0.00 0.00 54.97 54.32 2gpq s GLU 99 Cb -1.01 -0.05 -0.22 0.00 -0.44 0.00 0.00 34.13 32.41 2gpq s GLU 99 CO 0.55 -0.04 1.85 -0.35 0.95 0.00 0.00 175.26 178.22 2gpq n PRO 100 N 0.37 0.92 -2.73 -4.83 -0.04 -1.26 -4.15 135.00 123.27 2gpq n PRO 100 Ca -0.15 -1.70 -0.03 0.00 -0.04 0.00 0.00 63.50 61.57 2gpq n PRO 100 Cb 0.59 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2gpq n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2gpq n MET 101 N 7.66 -1.58 0.02 0.54 2.81 -1.26 -5.01 117.12 120.31 2gpq n MET 101 Ca 0.47 1.62 0.00 0.00 -1.81 0.00 0.00 57.70 57.98 2gpq n MET 101 Cb 0.43 -5.08 0.00 0.00 -0.71 0.00 0.00 33.22 27.85 2gpq n MET 101 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 2gpq n TRP 102 N -0.98 -0.57 0.00 2.03 -0.00 -1.26 -4.97 117.44 111.69 2gpq n TRP 102 Ca 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 2gpq n TRP 102 Cb 0.44 0.55 0.00 0.00 -0.00 0.00 0.00 31.31 32.31 2gpq n TRP 102 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2gpq n GLU 103 N -2.65 2.79 -0.03 5.87 0.00 -1.26 -4.70 120.64 120.66 2gpq n GLU 103 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 2gpq n GLU 103 Cb 0.00 -0.87 0.44 0.00 0.00 0.00 0.00 31.44 31.00 2gpq n GLU 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2gpq n ASP 104 N -1.66 0.48 -0.06 4.31 -0.08 -1.26 -3.94 116.55 114.33 2gpq n ASP 104 Ca 0.00 -1.57 0.14 0.00 -1.51 0.00 0.00 54.79 51.85 2gpq n ASP 104 Cb 0.37 -0.03 0.55 0.00 2.34 0.00 0.00 41.12 44.35 2gpq n ASP 104 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2gpq h GLU 105 N 0.62 0.29 -0.37 -0.67 5.08 -1.84 0.68 114.58 118.37 2gpq h GLU 105 Ca 0.00 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2gpq h GLU 105 Cb 0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2gpq h GLU 105 CO 0.00 0.19 0.26 0.87 -1.00 0.00 0.00 179.01 179.33 2gpq h LYS 106 N 0.30 0.10 -0.15 2.33 1.79 -1.94 -1.57 116.57 117.42 2gpq h LYS 106 Ca 0.27 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.68 2gpq h LYS 106 Cb 0.68 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2gpq h LYS 106 CO -0.06 0.07 -0.13 -0.91 -1.08 0.00 0.00 179.45 177.33 2gpq h ASN 107 N 0.10 0.38 -0.05 0.86 2.35 -1.05 -2.78 115.58 115.39 2gpq h ASN 107 Ca 0.17 -0.46 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2gpq h ASN 107 Cb 0.56 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2gpq h ASN 107 CO -0.02 0.76 0.04 0.11 -1.65 0.00 0.00 177.43 176.68 2gpq h LYS 108 N 0.00 0.00 0.00 0.81 1.79 -1.32 0.36 116.57 118.21 2gpq h LYS 108 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2gpq h LYS 108 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2gpq h LYS 108 CO 0.03 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.94 2gpq n ARG 109 N -4.16 0.16 0.00 3.15 5.12 -0.86 -4.77 116.66 115.30 2gpq n ARG 109 Ca -0.02 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2gpq n ARG 109 Cb 0.14 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 2gpq n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2gpq n GLY 110 N 0.91 -1.34 3.30 -0.13 0.00 0.13 -4.61 105.19 103.45 2gpq n GLY 110 Ca 0.05 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 2gpq n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gpq n GLY 111 N 2.47 2.68 3.55 -0.02 0.00 -1.03 -3.90 105.19 108.95 2gpq n GLY 111 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 2gpq n GLY 111 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2gpq s ARG 112 N -3.23 0.78 0.05 1.61 1.04 -0.87 0.11 118.95 118.44 2gpq s ARG 112 Ca 0.38 -0.32 0.07 0.00 -1.04 0.00 0.00 55.73 54.82 2gpq s ARG 112 Cb 0.01 0.34 -0.03 0.00 -2.04 0.00 0.00 34.95 33.23 2gpq s ARG 112 CO 0.27 -0.34 -0.18 -1.58 -0.04 0.00 0.00 175.30 173.42 2gpq s TRP 113 N -3.01 2.55 -0.26 5.89 0.51 -0.16 -0.56 118.94 123.89 2gpq s TRP 113 Ca 0.07 -0.26 -0.06 0.00 -2.12 0.00 0.00 56.10 53.73 2gpq s TRP 113 Cb -0.01 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.19 2gpq s TRP 113 CO -0.07 0.26 0.04 -1.17 -0.51 0.00 0.00 176.95 175.51 2gpq s LEU 114 N -1.50 3.45 0.07 2.99 1.98 0.39 -2.21 118.68 123.84 2gpq s LEU 114 Ca 0.15 -0.47 0.03 0.00 -2.89 0.00 0.00 54.13 50.95 2gpq s LEU 114 Cb -0.10 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.85 2gpq s LEU 114 CO 0.06 -0.09 0.05 -0.63 -1.89 0.00 0.00 176.35 173.84 2gpq s ILE 115 N 1.53 4.37 -0.44 6.68 1.01 -0.30 0.18 121.20 134.23 2gpq s ILE 115 Ca 0.05 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 2gpq s ILE 115 Cb -0.16 -3.08 0.09 0.00 0.01 0.00 0.00 42.46 39.32 2gpq s ILE 115 CO 0.01 0.16 0.30 0.28 0.00 0.00 0.00 174.94 175.69 2gpq s THR 116 N -1.33 4.34 -0.24 2.92 -1.32 -1.26 -2.22 115.64 116.53 2gpq s THR 116 Ca 0.27 -1.47 -0.16 0.00 -1.21 0.00 0.00 61.69 59.12 2gpq s THR 116 Cb -0.12 -3.70 -0.04 0.00 -1.51 0.00 0.00 72.50 67.13 2gpq s THR 116 CO 0.20 -0.59 0.40 -0.22 -2.21 0.00 0.00 174.62 172.19 2gpq s LEU 117 N 1.43 4.08 -0.09 9.08 2.96 0.36 -4.83 118.68 131.68 2gpq s LEU 117 Ca 0.04 0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 54.08 2gpq s LEU 117 Cb -0.24 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 2gpq s LEU 117 CO 0.02 -0.16 0.88 0.20 -1.32 0.00 0.00 176.35 175.97 2gpq s ASN 118 N 1.40 7.14 0.45 3.68 -0.87 -1.26 -1.00 114.94 124.49 2gpq s ASN 118 Ca 0.17 1.39 0.16 0.00 -1.57 0.00 0.00 52.86 53.02 2gpq s ASN 118 Cb -0.15 -2.50 1.04 0.00 -0.02 0.00 0.00 41.25 39.61 2gpq s ASN 118 CO 0.09 -0.31 1.99 0.07 -2.57 0.00 0.00 177.10 176.37 2gpq h LYS 119 N 7.00 0.00 -0.07 -0.60 2.10 -1.90 -2.20 116.57 120.91 2gpq h LYS 119 Ca -0.35 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.25 2gpq h LYS 119 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2gpq h LYS 119 CO 0.80 0.19 -0.15 0.37 -2.00 0.00 0.00 179.45 178.66 2gpq h GLN 120 N 0.00 0.11 -0.56 0.07 4.15 -1.92 -2.04 115.11 114.92 2gpq h GLN 120 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2gpq h GLN 120 Cb 0.35 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2gpq h GLN 120 CO 0.02 0.27 0.00 1.04 -1.93 0.00 0.00 178.83 178.23 2gpq n GLN 121 N -4.31 3.90 -0.38 1.69 3.00 -0.84 -4.64 117.38 115.79 2gpq n GLN 121 Ca -0.02 -2.91 0.33 0.00 -0.01 0.00 0.00 57.00 54.39 2gpq n GLN 121 Cb 0.25 -1.95 0.60 0.00 0.00 0.00 0.00 30.24 29.14 2gpq n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gpq h ARG 122 N 3.62 0.10 0.67 -1.09 3.08 -1.15 1.38 114.38 120.99 2gpq h ARG 122 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2gpq h ARG 122 Cb 1.55 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 2gpq h ARG 122 CO 0.29 0.06 -0.50 -0.09 -1.07 0.00 0.00 179.97 178.66 2gpq h ARG 123 N 0.10 -1.09 0.03 0.04 1.12 -1.84 -2.62 114.38 110.13 2gpq h ARG 123 Ca 0.82 0.07 -0.36 0.00 -1.11 0.00 0.00 59.98 59.41 2gpq h ARG 123 Cb 2.32 0.25 -0.05 0.00 -0.01 0.00 0.00 29.97 32.48 2gpq h ARG 123 CO -0.57 -0.72 -2.02 0.45 -3.11 0.00 0.00 179.97 173.99 2gpq n SER 124 N -5.60 1.98 0.29 -3.80 2.88 -0.25 -3.79 113.62 105.32 2gpq n SER 124 Ca -0.14 0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.48 2gpq n SER 124 Cb 0.49 -0.79 -0.08 0.00 -0.75 0.00 0.00 64.21 63.07 2gpq n SER 124 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2gpq h ASP 125 N -0.52 -0.61 0.39 -3.46 5.19 0.16 0.58 116.42 118.14 2gpq h ASP 125 Ca -0.51 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 2gpq h ASP 125 Cb 1.69 0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.36 2gpq h ASP 125 CO -0.16 -0.35 -0.19 0.25 -3.12 0.00 0.00 179.24 175.67 2gpq h LEU 126 N -0.85 -0.44 -1.11 1.55 6.46 -1.42 0.82 115.31 120.32 2gpq h LEU 126 Ca -0.07 -0.08 0.13 0.00 -0.12 0.00 0.00 57.88 57.73 2gpq h LEU 126 Cb 0.60 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.57 2gpq h LEU 126 CO 0.12 -0.18 0.61 0.44 -0.62 0.00 0.00 178.44 178.81 2gpq h ASP 127 N -0.70 0.83 0.03 1.25 3.32 -1.55 0.22 116.42 119.82 2gpq h ASP 127 Ca -0.05 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2gpq h ASP 127 Cb 0.49 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.93 2gpq h ASP 127 CO 0.09 0.44 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.73 2gpq h ARG 128 N 0.89 0.10 -0.29 3.56 2.43 -0.72 -2.50 114.38 117.84 2gpq h ARG 128 Ca 0.48 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2gpq h ARG 128 Cb 0.56 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2gpq h ARG 128 CO -0.24 1.01 0.18 0.74 -1.51 0.00 0.00 179.97 180.15 2gpq h PHE 129 N -0.74 0.34 -0.25 2.20 0.04 0.96 -1.75 116.94 117.74 2gpq h PHE 129 Ca -0.04 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 2gpq h PHE 129 Cb 1.11 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 2gpq h PHE 129 CO 0.23 0.20 0.01 2.35 -0.60 0.00 0.00 178.31 180.50 2gpq h TRP 130 N 0.37 0.48 -0.69 -0.55 2.91 -0.70 -2.65 115.95 115.11 2gpq h TRP 130 Ca 0.11 -0.08 0.09 0.00 1.13 0.00 0.00 58.89 60.14 2gpq h TRP 130 Cb -0.02 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 28.44 2gpq h TRP 130 CO -0.07 0.60 0.34 -0.07 -1.03 0.00 0.00 178.44 178.21 2gpq h LEU 131 N 0.22 0.45 -0.46 0.65 4.07 -1.29 1.24 115.31 120.19 2gpq h LEU 131 Ca 0.07 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 2gpq h LEU 131 Cb 0.40 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2gpq h LEU 131 CO 0.01 0.26 0.27 -0.08 -1.08 0.00 0.00 178.44 177.82 2gpq h GLU 132 N 0.59 0.62 0.06 1.13 4.57 -1.24 -1.53 114.58 118.79 2gpq h GLU 132 Ca 0.34 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2gpq h GLU 132 Cb 0.35 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2gpq h GLU 132 CO -0.26 0.46 -0.03 0.00 -1.18 0.00 0.00 179.01 178.00 2gpq h THR 133 N 0.60 1.14 -1.01 0.32 1.03 -0.96 -2.02 112.91 112.00 2gpq h THR 133 Ca 0.16 -1.55 0.27 0.00 -0.01 0.00 0.00 66.41 65.28 2gpq h THR 133 Cb 0.01 2.03 -0.13 0.00 -1.07 0.00 0.00 68.15 68.99 2gpq h THR 133 CO -0.03 0.34 0.60 0.25 -0.01 0.00 0.00 175.52 176.67 2gpq h LEU 134 N -0.88 0.62 -0.18 0.00 7.12 0.15 0.53 115.31 122.67 2gpq h LEU 134 Ca -0.01 0.14 -0.21 0.00 0.13 0.00 0.00 57.88 57.93 2gpq h LEU 134 Cb 0.62 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 2gpq h LEU 134 CO 0.01 0.05 -0.95 -0.07 -0.13 0.00 0.00 178.44 177.36 2gpq h LEU 135 N 0.51 0.24 -1.02 2.25 3.38 -1.35 -2.60 115.31 116.73 2gpq h LEU 135 Ca 0.66 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.33 2gpq h LEU 135 Cb 1.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2gpq h LEU 135 CO -0.48 1.06 -0.34 0.00 0.09 0.00 0.00 178.44 178.76 2gpq h LEU 137 N 0.24 0.86 0.02 0.00 7.12 -0.52 -3.24 115.31 119.80 2gpq h LEU 137 Ca 0.03 -0.61 -0.22 0.00 0.13 0.00 0.00 57.88 57.20 2gpq h LEU 137 Cb 0.72 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2gpq h LEU 137 CO 0.05 1.33 -1.06 0.40 -0.13 0.00 0.00 178.44 179.04 2gpq h ILE 138 N 0.45 1.66 0.00 4.05 2.04 -1.25 -3.47 117.51 120.99 2gpq h ILE 138 Ca -0.03 -3.35 0.00 0.00 1.00 0.00 0.00 64.86 62.48 2gpq h ILE 138 Cb 1.28 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2gpq h ILE 138 CO 0.14 0.96 0.00 0.61 0.00 0.00 0.00 178.15 179.85 2gpq n GLY 139 N 1.39 0.81 0.88 5.37 0.00 0.40 -5.06 105.19 108.98 2gpq n GLY 139 Ca -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 2gpq n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gpq n GLU 140 N 0.00 0.00 0.00 1.61 4.71 0.18 -4.90 120.64 122.24 2gpq n GLU 140 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 57.16 56.37 2gpq n GLU 140 Cb 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 2gpq n GLU 140 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2gpq n SER 141 N 0.00 0.00 0.01 1.62 3.41 -1.23 -4.83 113.62 112.60 2gpq n SER 141 Ca -0.22 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.51 2gpq n SER 141 Cb 0.64 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.86 2gpq n SER 141 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2gpq n PHE 142 N -1.32 0.10 0.00 7.33 3.72 -1.26 -4.92 117.46 121.10 2gpq n PHE 142 Ca 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2gpq n PHE 142 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 2gpq n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gpq n ASP 143 N -1.61 0.00 -0.12 4.37 2.03 -1.26 -3.41 116.55 116.55 2gpq n ASP 143 Ca 0.05 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.43 2gpq n ASP 143 Cb 0.35 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.88 2gpq n ASP 143 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gpq n ASP 144 N 0.43 -0.01 -3.19 1.67 -0.08 -1.26 -1.12 116.55 112.99 2gpq n ASP 144 Ca 0.00 0.61 -0.22 0.00 -1.51 0.00 0.00 54.79 53.67 2gpq n ASP 144 Cb 0.00 -0.24 -0.05 0.00 2.34 0.00 0.00 41.12 43.17 2gpq n ASP 144 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2gpq n TYR 145 N -4.21 0.07 -2.61 -0.67 4.01 -1.22 -4.89 117.16 107.63 2gpq n TYR 145 Ca 0.10 -3.69 -0.02 0.00 -0.16 0.00 0.00 57.90 54.13 2gpq n TYR 145 Cb 0.32 -0.39 0.05 0.00 -0.31 0.00 0.00 39.34 39.01 2gpq n TYR 145 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2gpq n SER 146 N 0.89 1.84 0.00 7.72 3.41 -0.28 -4.26 113.62 122.94 2gpq n SER 146 Ca 0.23 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2gpq n SER 146 Cb 0.58 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2gpq n SER 146 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gpq n ASP 147 N -0.39 2.84 -1.46 4.04 8.00 -1.26 -4.20 116.55 124.13 2gpq n ASP 147 Ca 0.12 -0.13 0.05 0.00 0.71 0.00 0.00 54.79 55.53 2gpq n ASP 147 Cb 0.90 0.84 0.29 0.00 -0.02 0.00 0.00 41.12 43.12 2gpq n ASP 147 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2gpq n ASP 148 N -1.12 4.28 -4.50 -2.24 2.03 -1.26 -4.85 116.55 108.88 2gpq n ASP 148 Ca 0.00 -2.61 -0.43 0.00 0.52 0.00 0.00 54.79 52.27 2gpq n ASP 148 Cb 0.00 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.71 2gpq n ASP 148 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2gpq s VAL 149 N -2.19 4.97 0.21 5.18 1.01 -1.26 0.79 120.40 129.11 2gpq s VAL 149 Ca 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2gpq s VAL 149 Cb 0.29 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2gpq s VAL 149 CO 0.12 -0.50 1.63 0.00 0.00 0.00 0.00 175.10 176.35 2gpq n GLY 151 N -0.28 -2.02 3.07 0.00 0.00 -1.08 -2.18 105.19 102.70 2gpq n GLY 151 Ca 0.01 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 2gpq n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpq s ALA 152 N -1.72 0.45 -0.06 4.61 0.00 -0.95 0.71 121.76 124.80 2gpq s ALA 152 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2gpq s ALA 152 Cb 0.00 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2gpq s ALA 152 CO 0.00 -0.28 -0.09 0.08 0.00 0.00 0.00 175.76 175.47 2gpq s VAL 153 N -3.04 0.91 -0.33 0.00 1.01 0.33 -2.00 120.40 117.27 2gpq s VAL 153 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2gpq s VAL 153 Cb 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2gpq s VAL 153 CO -0.06 0.30 0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2gpq s VAL 154 N 0.76 3.76 -0.20 2.92 1.01 0.50 0.83 120.40 129.98 2gpq s VAL 154 Ca -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2gpq s VAL 154 Cb -0.15 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2gpq s VAL 154 CO 0.02 -0.13 -0.10 0.20 0.00 0.00 0.00 175.10 175.09 2gpq s ASN 155 N 1.41 3.88 -0.37 3.32 0.01 0.32 -1.19 114.94 122.32 2gpq s ASN 155 Ca -0.01 -0.48 -0.05 0.00 -0.71 0.00 0.00 52.86 51.61 2gpq s ASN 155 Cb -0.19 -1.64 0.07 0.00 0.41 0.00 0.00 41.25 39.90 2gpq s ASN 155 CO 0.02 -0.00 0.15 -0.69 -1.51 0.00 0.00 177.10 175.08 2gpq s VAL 156 N 1.34 3.62 -0.77 1.60 1.01 -1.07 -0.39 120.40 125.74 2gpq s VAL 156 Ca 0.04 -1.51 -0.26 0.00 0.00 0.00 0.00 61.98 60.26 2gpq s VAL 156 Cb -0.14 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 2gpq s VAL 156 CO -0.06 -0.40 1.68 -0.13 0.00 0.00 0.00 175.10 176.19 2gpq s ARG 157 N 1.31 2.89 0.98 2.72 0.52 0.31 -3.36 118.95 124.32 2gpq s ARG 157 Ca 0.02 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 2gpq s ARG 157 Cb -0.21 -4.63 0.00 0.00 0.52 0.00 0.00 34.95 30.62 2gpq s ARG 157 CO -0.00 -2.66 0.00 0.00 0.02 0.00 0.00 175.30 172.66 2gpq n ALA 158 N 11.64 0.00 0.06 2.13 0.00 -1.26 -0.35 120.51 132.72 2gpq n ALA 158 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2gpq n ALA 158 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 2gpq n ALA 158 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2gpq n LYS 159 N 0.00 0.77 -2.92 0.00 2.85 -1.26 -3.83 118.16 113.77 2gpq n LYS 159 Ca 0.00 -0.08 -0.43 0.00 -1.05 0.00 0.00 58.31 56.75 2gpq n LYS 159 Cb 0.00 -1.19 -0.05 0.00 -0.65 0.00 0.00 35.03 33.14 2gpq n LYS 159 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2gpq s GLY 160 N -2.96 1.57 0.10 2.58 0.00 0.52 -3.85 107.32 105.27 2gpq s GLY 160 Ca -0.03 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.59 2gpq s GLY 160 CO 0.40 1.86 0.65 -0.35 0.00 0.00 0.00 173.10 175.66 2gpq s ASP 161 N 2.13 7.17 -0.01 1.64 -1.08 -0.17 0.12 116.67 126.47 2gpq s ASP 161 Ca 0.32 1.39 -0.01 0.00 -0.52 0.00 0.00 52.55 53.73 2gpq s ASP 161 Cb -0.12 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 2gpq s ASP 161 CO 0.23 0.23 0.03 -1.59 0.52 0.00 0.00 175.17 174.59 2gpq s LYS 162 N -1.02 0.06 -0.04 4.34 -2.85 0.48 0.13 119.74 120.84 2gpq s LYS 162 Ca 0.32 0.00 0.01 0.00 -1.00 0.00 0.00 55.97 55.30 2gpq s LYS 162 Cb -0.21 0.03 0.02 0.00 -2.06 0.00 0.00 37.83 35.61 2gpq s LYS 162 CO 0.21 -0.01 -0.05 -1.50 0.10 0.00 0.00 175.35 174.10 2gpq s ILE 163 N -0.09 0.58 0.10 3.79 -1.16 -0.94 0.12 121.20 123.60 2gpq s ILE 163 Ca -0.01 -0.16 0.09 0.00 -0.51 0.00 0.00 60.65 60.06 2gpq s ILE 163 Cb -0.01 -0.59 -0.03 0.00 0.61 0.00 0.00 42.46 42.43 2gpq s ILE 163 CO 0.00 0.23 -0.24 0.00 -2.81 0.00 0.00 174.94 172.12 2gpq s ALA 164 N 0.83 2.06 -0.03 1.50 0.00 0.24 -1.15 121.76 125.21 2gpq s ALA 164 Ca -0.12 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.58 2gpq s ALA 164 Cb -0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2gpq s ALA 164 CO 0.01 0.45 -0.15 0.42 0.00 0.00 0.00 175.76 176.49 2gpq s ILE 165 N -1.03 1.21 -0.03 0.00 1.01 -0.94 0.12 121.20 121.55 2gpq s ILE 165 Ca 0.10 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2gpq s ILE 165 Cb -0.10 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 2gpq s ILE 165 CO 0.04 0.35 -0.26 -1.66 0.00 0.00 0.00 174.94 173.42 2gpq s TRP 166 N -0.01 2.34 0.25 3.97 1.48 0.22 -0.99 118.94 126.19 2gpq s TRP 166 Ca -0.01 -0.48 -0.09 0.00 -1.06 0.00 0.00 56.10 54.46 2gpq s TRP 166 Cb -0.09 -1.51 -0.07 0.00 -1.16 0.00 0.00 33.47 30.64 2gpq s TRP 166 CO 0.01 -0.06 0.56 -0.08 -4.06 0.00 0.00 176.95 173.32 2gpq s THR 167 N -0.55 4.93 0.03 0.66 -1.32 0.31 -0.05 115.64 119.65 2gpq s THR 167 Ca 0.08 0.44 -0.21 0.00 -1.21 0.00 0.00 61.69 60.79 2gpq s THR 167 Cb -0.10 -3.64 -0.16 0.00 -1.51 0.00 0.00 72.50 67.09 2gpq s THR 167 CO -0.00 -0.12 1.32 0.00 -2.21 0.00 0.00 174.62 173.60 2gpq h THR 168 N 1.88 1.36 -3.51 5.08 1.03 0.08 -2.74 112.91 116.10 2gpq h THR 168 Ca -0.47 -1.30 -0.69 0.00 -0.01 0.00 0.00 66.41 63.93 2gpq h THR 168 Cb 1.17 1.96 -0.35 0.00 -1.07 0.00 0.00 68.15 69.86 2gpq h THR 168 CO 0.68 0.38 -0.47 -0.70 -0.01 0.00 0.00 175.52 175.40 2gpq s GLU 169 N -4.25 2.24 0.60 0.00 2.56 -1.26 -3.93 118.70 114.66 2gpq s GLU 169 Ca -0.14 -2.16 0.22 0.00 0.00 0.00 0.00 54.97 52.89 2gpq s GLU 169 Cb 0.04 -3.64 1.20 0.00 2.00 0.00 0.00 34.13 33.74 2gpq s GLU 169 CO 0.74 -1.12 1.65 0.00 -0.56 0.00 0.00 175.26 175.98 2gpq h GLU 171 N 0.00 0.00 -3.32 0.00 4.39 -1.93 -3.34 114.58 110.38 2gpq h GLU 171 Ca 0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 2gpq h GLU 171 Cb 0.87 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2gpq h GLU 171 CO 0.00 0.00 2.73 0.09 -1.16 0.00 0.00 179.01 180.67 2gpq n ASN 172 N -2.43 5.56 0.10 1.42 5.03 0.33 -4.56 115.26 120.70 2gpq n ASN 172 Ca 0.02 -2.36 0.20 0.00 0.87 0.00 0.00 54.58 53.31 2gpq n ASN 172 Cb 0.25 -1.17 0.75 0.00 -1.02 0.00 0.00 39.78 38.59 2gpq n ASN 172 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2gpq h ARG 173 N 6.00 0.00 0.00 3.52 1.12 -1.83 1.13 114.38 124.31 2gpq h ARG 173 Ca 0.55 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 59.30 2gpq h ARG 173 Cb 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 2gpq h ARG 173 CO 1.46 0.00 -0.55 1.49 -3.11 0.00 0.00 179.97 179.26 2gpq h GLU 174 N 0.00 0.00 0.00 0.20 4.57 -1.94 -1.47 114.58 115.94 2gpq h GLU 174 Ca 0.19 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.15 2gpq h GLU 174 Cb 1.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 2gpq h GLU 174 CO -0.00 0.55 -1.21 0.00 -1.18 0.00 0.00 179.01 177.17 2gpq n ALA 175 N -2.36 0.76 -0.20 2.92 0.00 0.33 -1.96 120.51 120.01 2gpq n ALA 175 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2gpq n ALA 175 Cb 0.61 -0.49 0.09 0.00 0.00 0.00 0.00 19.45 19.66 2gpq n ALA 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gpq h VAL 176 N -1.00 0.49 0.09 0.00 2.07 0.04 1.45 116.25 119.39 2gpq h VAL 176 Ca -0.32 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2gpq h VAL 176 Cb 1.23 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2gpq h VAL 176 CO -0.19 0.02 -0.04 0.74 0.02 0.00 0.00 177.57 178.11 2gpq h THR 177 N 0.09 1.13 0.54 2.57 2.02 -1.44 -1.18 112.91 116.64 2gpq h THR 177 Ca 0.31 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 2gpq h THR 177 Cb 0.49 1.94 0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2gpq h THR 177 CO -0.53 0.31 -0.26 -0.74 0.37 0.00 0.00 175.52 174.66 2gpq h HIS 178 N -0.81 -0.68 -0.27 3.16 6.17 -0.97 1.44 115.15 123.20 2gpq h HIS 178 Ca -0.01 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2gpq h HIS 178 Cb 0.59 0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 2gpq h HIS 178 CO 0.12 -0.42 0.18 0.97 0.71 0.00 0.00 177.93 179.49 2gpq h ILE 179 N -0.87 1.07 0.00 6.26 -0.00 0.18 0.92 117.51 125.07 2gpq h ILE 179 Ca -0.07 -0.13 -0.00 0.00 -0.00 0.00 0.00 64.86 64.65 2gpq h ILE 179 Cb 0.56 0.67 0.00 0.00 -0.00 0.00 0.00 36.82 38.05 2gpq h ILE 179 CO 0.12 0.07 -0.00 1.23 -0.00 0.00 0.00 178.15 179.57 2gpq h GLY 180 N 0.37 -0.00 2.00 8.18 0.00 -0.97 -2.52 103.07 110.13 2gpq h GLY 180 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2gpq h GLY 180 CO -0.02 -0.00 -0.46 -0.09 0.00 0.00 0.00 176.54 175.96 2gpq h ARG 181 N -0.91 0.00 -0.18 4.80 2.43 0.22 -2.72 114.38 118.02 2gpq h ARG 181 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2gpq h ARG 181 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2gpq h ARG 181 CO 0.00 0.46 -0.40 -0.24 -1.51 0.00 0.00 179.97 178.29 2gpq h VAL 182 N 0.00 1.33 -0.42 0.20 3.04 0.77 0.93 116.25 122.10 2gpq h VAL 182 Ca -0.00 -1.64 0.06 0.00 -1.01 0.00 0.00 66.70 64.10 2gpq h VAL 182 Cb 0.88 1.91 -0.05 0.00 -2.01 0.00 0.00 31.29 32.02 2gpq h VAL 182 CO 0.06 0.50 0.13 0.22 -1.01 0.00 0.00 177.57 177.47 2gpq h TYR 183 N 0.26 0.22 0.04 3.17 5.03 -1.30 1.59 116.97 125.97 2gpq h TYR 183 Ca 0.00 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 2gpq h TYR 183 Cb 1.00 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.25 2gpq h TYR 183 CO 0.09 0.07 -0.02 1.57 -1.32 0.00 0.00 178.16 178.55 2gpq h LYS 184 N 0.28 -0.05 0.00 1.82 5.09 -1.43 -2.40 116.57 119.87 2gpq h LYS 184 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.88 2gpq h LYS 184 Cb 0.21 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 2gpq h LYS 184 CO -0.22 0.62 -0.30 1.05 -2.09 0.00 0.00 179.45 178.50 2gpq h GLU 185 N -0.87 0.00 0.11 0.07 -0.00 0.97 -2.02 114.58 112.83 2gpq h GLU 185 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 59.36 59.08 2gpq h GLU 185 Cb 0.69 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.44 2gpq h GLU 185 CO 0.01 0.30 -1.30 -0.09 -0.00 0.00 0.00 179.01 177.93 2gpq h ARG 186 N 0.00 0.22 0.00 1.06 2.43 0.22 -3.16 114.38 115.15 2gpq h ARG 186 Ca -0.00 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 2gpq h ARG 186 Cb 0.58 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2gpq h ARG 186 CO 0.04 1.14 -0.27 1.25 -1.51 0.00 0.00 179.97 180.63 2gpq h LEU 187 N 0.06 0.00 -1.23 3.80 5.85 -1.23 -3.47 115.31 119.09 2gpq h LEU 187 Ca -0.15 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.36 2gpq h LEU 187 Cb 1.96 0.00 0.09 0.00 0.37 0.00 0.00 40.66 43.07 2gpq h LEU 187 CO 0.18 0.27 -0.41 0.61 -0.34 0.00 0.00 178.44 178.75 2gpq n GLY 188 N -0.01 0.06 0.79 3.75 0.00 -0.78 -4.68 105.19 104.32 2gpq n GLY 188 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2gpq n GLY 188 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2gpq n LEU 189 N -2.98 -0.38 0.02 0.99 -0.00 -1.23 -4.75 117.00 108.68 2gpq n LEU 189 Ca -0.06 -0.18 -0.12 0.00 -0.00 0.00 0.00 56.01 55.66 2gpq n LEU 189 Cb 0.56 -0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 43.78 2gpq n LEU 189 CO 0.36 -0.35 0.86 -0.65 -0.00 0.00 0.00 177.39 177.62 2gpq h PRO 190 N 2.47 0.05 0.00 1.47 0.11 -1.96 -3.38 132.00 130.76 2gpq h PRO 190 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2gpq h PRO 190 Cb 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2gpq h PRO 190 CO 0.35 0.09 0.00 -0.35 -0.21 0.00 0.00 178.00 177.87 2gpq n PRO 191 N -5.04 0.00 0.00 1.05 -0.04 -1.26 -4.95 135.00 124.76 2gpq n PRO 191 Ca -0.06 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2gpq n PRO 191 Cb 0.05 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2gpq n PRO 191 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2gpq n LYS 192 N -1.16 0.00 -2.36 0.54 -0.00 -1.26 -5.12 118.16 108.80 2gpq n LYS 192 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2gpq n LYS 192 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 2gpq n LYS 192 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2gpq s ILE 193 N 0.00 3.86 -0.36 0.58 -1.09 -1.26 -4.97 121.20 117.96 2gpq s ILE 193 Ca 0.00 0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 59.06 2gpq s ILE 193 Cb 0.00 -4.29 -0.00 0.00 -1.58 0.00 0.00 42.46 36.59 2gpq s ILE 193 CO 0.00 -0.91 0.53 0.68 -1.23 0.00 0.00 174.94 174.01 2gpq s VAL 194 N 5.71 4.99 -0.47 2.92 -7.23 -1.26 -4.82 120.40 120.25 2gpq s VAL 194 Ca 0.58 0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 60.88 2gpq s VAL 194 Cb -0.12 -3.99 0.03 0.00 0.56 0.00 0.00 36.38 32.86 2gpq s VAL 194 CO 0.30 -0.25 0.74 -0.51 -0.31 0.00 0.00 175.10 175.07 2gpq s ILE 195 N 2.45 4.70 0.51 -0.62 2.07 -0.49 -4.13 121.20 125.68 2gpq s ILE 195 Ca 0.19 0.21 -0.20 0.00 -1.41 0.00 0.00 60.65 59.45 2gpq s ILE 195 Cb -0.15 -4.31 -0.07 0.00 0.13 0.00 0.00 42.46 38.05 2gpq s ILE 195 CO 0.14 -0.74 1.06 -0.83 -1.91 0.00 0.00 174.94 172.66 2gpq s GLY 196 N 2.24 2.49 -0.12 1.50 0.00 0.48 -3.27 107.32 110.65 2gpq s GLY 196 Ca 0.26 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.62 2gpq s GLY 196 CO 0.20 0.96 -0.13 -0.47 0.00 0.00 0.00 173.10 173.65 2gpq s TYR 197 N -1.99 1.90 -0.19 1.90 5.04 -0.34 0.15 117.35 123.82 2gpq s TYR 197 Ca 0.68 -0.95 0.01 0.00 -2.44 0.00 0.00 57.07 54.37 2gpq s TYR 197 Cb -0.18 -1.41 0.03 0.00 0.35 0.00 0.00 41.96 40.75 2gpq s TYR 197 CO 0.23 -0.53 -0.15 -0.65 -1.34 0.00 0.00 175.55 173.12 2gpq s GLN 198 N 1.25 2.48 0.02 4.97 -0.21 0.27 0.25 119.66 128.69 2gpq s GLN 198 Ca -0.02 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.58 2gpq s GLN 198 Cb -0.14 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 2gpq s GLN 198 CO -0.05 -0.32 -0.14 0.45 -2.12 0.00 0.00 175.29 173.11 2gpq s SER 199 N 1.34 4.07 0.44 5.90 0.15 -1.25 -2.06 113.70 122.29 2gpq s SER 199 Ca 0.02 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.59 2gpq s SER 199 Cb -0.15 -0.78 0.79 0.00 -1.71 0.00 0.00 66.02 64.18 2gpq s SER 199 CO -0.10 0.27 1.77 1.12 1.20 0.00 0.00 173.24 177.50 2gpq h HIS 200 N 4.62 0.00 -0.85 3.44 2.07 -1.82 -3.17 115.15 119.45 2gpq h HIS 200 Ca -0.48 0.00 0.25 0.00 -2.85 0.00 0.00 60.37 57.29 2gpq h HIS 200 Cb 1.16 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.10 2gpq h HIS 200 CO 0.54 0.20 0.68 0.00 -3.07 0.00 0.00 177.93 176.27 2gpq h ALA 201 N 1.80 2.74 0.14 6.11 0.00 -1.89 -0.43 119.26 127.73 2gpq h ALA 201 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2gpq h ALA 201 Cb 0.83 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2gpq h ALA 201 CO 0.03 -1.11 -0.11 -0.44 0.00 0.00 0.00 179.25 177.61 2gpq h ASP 202 N 0.00 -0.30 0.43 0.00 3.32 -1.81 -2.87 116.42 115.19 2gpq h ASP 202 Ca 0.40 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.30 2gpq h ASP 202 Cb 1.75 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 2gpq h ASP 202 CO -0.00 -0.18 -0.76 0.71 -1.72 0.00 0.00 179.24 177.29 2gpq h THR 203 N -0.26 1.43 -3.54 0.35 1.35 -1.37 -3.45 112.91 107.41 2gpq h THR 203 Ca -0.00 -2.30 -0.45 0.00 -0.55 0.00 0.00 66.41 63.11 2gpq h THR 203 Cb 0.24 2.23 0.15 0.00 -1.73 0.00 0.00 68.15 69.05 2gpq h THR 203 CO -0.02 0.68 0.35 0.00 -0.25 0.00 0.00 175.52 176.28 2gpq s ALA 204 N -3.48 2.56 -0.01 6.62 0.00 -0.49 -5.00 121.76 121.96 2gpq s ALA 204 Ca -0.04 -1.37 0.11 0.00 0.00 0.00 0.00 51.96 50.67 2gpq s ALA 204 Cb 0.11 -2.58 -0.15 0.00 0.00 0.00 0.00 23.12 20.50 2gpq s ALA 204 CO 0.82 -2.26 1.13 1.79 0.00 0.00 0.00 175.76 177.24 2gpq h THR 205 N -1.42 1.19 -0.27 0.00 1.35 -1.88 -3.43 112.91 108.44 2gpq h THR 205 Ca -0.42 -2.83 -0.03 0.00 -0.55 0.00 0.00 66.41 62.58 2gpq h THR 205 Cb 1.24 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 2gpq h THR 205 CO 0.37 0.68 0.08 -0.75 -0.25 0.00 0.00 175.52 175.65 2gpq s LYS 206 N -2.77 1.48 -0.29 4.72 2.36 -1.26 -4.75 119.74 119.22 2gpq s LYS 206 Ca -0.00 0.08 -0.23 0.00 -2.55 0.00 0.00 55.97 53.27 2gpq s LYS 206 Cb 0.09 -4.88 0.18 0.00 -1.05 0.00 0.00 37.83 32.17 2gpq s LYS 206 CO 0.80 -4.82 1.30 -1.54 1.55 0.00 0.00 175.35 172.65 2gpq s SER 207 N 9.80 -0.17 0.00 1.43 1.04 -1.26 -4.51 113.70 120.03 2gpq s SER 207 Ca 0.87 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.61 2gpq s SER 207 Cb -0.09 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2gpq s SER 207 CO 0.12 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2gpq n GLY 208 N 2.06 -0.44 0.01 7.32 0.00 -1.26 -5.13 105.19 107.74 2gpq n GLY 208 Ca -0.12 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2gpq n GLY 208 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gpq n SER 209 N 0.00 -0.00 -2.64 1.61 7.64 -1.26 -5.18 113.62 113.79 2gpq n SER 209 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 2gpq n SER 209 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2gpq n SER 209 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2gpq n THR 210 N -0.00 0.00 -1.36 0.44 5.66 -1.26 -4.92 114.28 112.84 2gpq n THR 210 Ca -0.00 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.16 2gpq n THR 210 Cb 0.00 -0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 67.78 2gpq n THR 210 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2gpq n THR 211 N -2.31 -0.26 -4.20 1.09 -2.24 -1.26 -5.00 114.28 100.10 2gpq n THR 211 Ca 0.00 0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 62.23 2gpq n THR 211 Cb 0.00 -1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 67.12 2gpq n THR 211 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2gpq s LYS 212 N -3.61 0.96 -0.53 -0.78 2.20 -1.26 -5.11 119.74 111.62 2gpq s LYS 212 Ca 0.00 -1.43 0.06 0.00 -0.36 0.00 0.00 55.97 54.23 2gpq s LYS 212 Cb 0.00 -0.18 0.21 0.00 -1.51 0.00 0.00 37.83 36.35 2gpq s LYS 212 CO 0.00 -0.10 0.51 0.09 -0.36 0.00 0.00 175.35 175.50 2gpq n ASN 213 N -0.14 1.50 0.00 1.43 3.02 -1.26 -4.80 115.26 115.01 2gpq n ASN 213 Ca -0.09 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 2gpq n ASN 213 Cb 0.62 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2gpq n ASN 213 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gpq n ARG 214 N 1.82 0.00 -3.95 3.52 1.74 0.14 -3.83 116.66 116.11 2gpq n ARG 214 Ca 0.25 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 2gpq n ARG 214 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 2gpq n ARG 214 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2gpq s PHE 215 N 0.00 0.21 -0.11 -1.55 5.36 -1.22 -4.93 117.98 115.74 2gpq s PHE 215 Ca 0.00 -0.47 0.04 0.00 -0.96 0.00 0.00 56.93 55.54 2gpq s PHE 215 Cb 0.00 -0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2gpq s PHE 215 CO 0.00 -0.28 -0.23 0.08 -1.46 0.00 0.00 175.22 173.33 2gpq s VAL 216 N -1.99 2.13 0.00 3.12 1.01 -1.26 -1.20 120.40 122.21 2gpq s VAL 216 Ca -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2gpq s VAL 216 Cb -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2gpq s VAL 216 CO -0.02 0.56 0.00 0.52 0.00 0.00 0.00 175.10 176.15