#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqh n SER 2 N 0.00 1.99 -3.55 1.61 7.64 -1.26 -5.02 113.62 115.03 2gqh n SER 2 Ca 0.00 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.99 2gqh n SER 2 Cb 0.00 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.29 2gqh n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2gqh s SER 3 N -6.97 -0.66 0.00 6.43 0.15 -1.26 -5.18 113.70 106.21 2gqh s SER 3 Ca -0.28 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2gqh s SER 3 Cb 0.08 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2gqh s SER 3 CO 0.65 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2gqh n GLY 4 N 1.31 1.28 3.74 9.45 0.00 -1.26 -5.07 105.19 114.64 2gqh n GLY 4 Ca -0.17 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2gqh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gqh s SER 5 N -1.00 6.61 -0.00 1.61 0.01 -1.26 -5.07 113.70 114.60 2gqh s SER 5 Ca 0.00 0.73 -0.22 0.00 1.31 0.00 0.00 55.95 57.76 2gqh s SER 5 Cb 0.00 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 64.03 2gqh s SER 5 CO 0.00 0.07 0.49 -0.44 0.41 0.00 0.00 173.24 173.77 2gqh s SER 6 N 0.37 -0.41 0.00 2.44 0.01 -1.26 -5.16 113.70 109.69 2gqh s SER 6 Ca 0.22 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2gqh s SER 6 Cb -0.15 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2gqh s SER 6 CO 0.08 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2gqh n GLY 7 N 0.84 1.48 3.12 3.44 0.00 -1.26 -5.12 105.19 107.68 2gqh n GLY 7 Ca -0.20 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 2gqh n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh s ALA 8 N -1.27 -0.44 -0.05 4.61 0.00 -1.26 -4.86 121.76 118.49 2gqh s ALA 8 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2gqh s ALA 8 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2gqh s ALA 8 CO 0.00 -0.19 -0.10 -0.98 0.00 0.00 0.00 175.76 174.49 2gqh s ARG 9 N -1.01 2.60 -0.63 0.00 1.70 -1.26 -4.76 118.95 115.59 2gqh s ARG 9 Ca -0.11 -0.64 -0.26 0.00 -0.47 0.00 0.00 55.73 54.25 2gqh s ARG 9 Cb -0.06 -2.49 -0.06 0.00 -0.57 0.00 0.00 34.95 31.78 2gqh s ARG 9 CO 0.02 0.64 2.13 -0.06 -1.08 0.00 0.00 175.30 176.94 2gqh s PHE 10 N -0.82 1.41 -0.34 5.89 0.08 -1.26 -2.48 117.98 120.46 2gqh s PHE 10 Ca 0.13 1.19 0.23 0.00 0.12 0.00 0.00 56.93 58.59 2gqh s PHE 10 Cb -0.11 -3.83 0.08 0.00 -0.57 0.00 0.00 43.02 38.60 2gqh s PHE 10 CO 0.02 -2.23 1.11 0.00 -0.10 0.00 0.00 175.22 174.03 2gqh h THR 11 N 7.32 0.00 0.00 0.64 1.03 -1.92 -3.39 112.91 116.59 2gqh h THR 11 Ca -0.18 -0.87 -0.22 0.00 -0.01 0.00 0.00 66.41 65.13 2gqh h THR 11 Cb 1.16 1.39 -0.04 0.00 -1.07 0.00 0.00 68.15 69.59 2gqh h THR 11 CO 1.17 0.00 -1.81 1.21 -0.01 0.00 0.00 175.52 176.08 2gqh n GLU 12 N -2.54 0.34 -0.53 0.00 4.07 -1.20 -5.06 120.64 115.71 2gqh n GLU 12 Ca 0.01 0.10 0.05 0.00 -0.06 0.00 0.00 57.16 57.26 2gqh n GLU 12 Cb 0.52 -1.19 -0.03 0.00 -0.06 0.00 0.00 31.44 30.69 2gqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gqh n GLY 13 N 2.55 -3.00 3.77 8.31 0.00 -1.26 -4.89 105.19 110.67 2gqh n GLY 13 Ca -0.26 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 2gqh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqh s LEU 14 N -4.80 4.39 0.23 0.99 1.43 -1.26 -4.67 118.68 114.99 2gqh s LEU 14 Ca 0.00 2.09 0.06 0.00 -1.03 0.00 0.00 54.13 55.25 2gqh s LEU 14 Cb 0.00 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 2gqh s LEU 14 CO 0.00 -0.22 0.23 -0.13 0.23 0.00 0.00 176.35 176.46 2gqh s ARG 15 N -1.87 3.06 0.61 1.70 1.81 -1.26 -4.89 118.95 118.11 2gqh s ARG 15 Ca 0.50 -0.95 -0.19 0.00 -1.72 0.00 0.00 55.73 53.37 2gqh s ARG 15 Cb -0.26 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.55 2gqh s ARG 15 CO 0.33 0.42 1.29 -0.80 -0.68 0.00 0.00 175.30 175.86 2gqh s ASN 16 N -3.75 4.93 0.47 0.23 0.01 -1.26 -4.82 114.94 110.74 2gqh s ASN 16 Ca 0.33 2.60 0.03 0.00 -0.71 0.00 0.00 52.86 55.11 2gqh s ASN 16 Cb -0.09 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.95 2gqh s ASN 16 CO 0.26 -1.79 0.09 -1.83 -1.51 0.00 0.00 177.10 172.32 2gqh s GLU 17 N -3.24 2.09 -0.30 -0.60 -1.05 -1.22 -5.04 118.70 109.34 2gqh s GLU 17 Ca 0.78 -2.32 -0.16 0.00 -0.15 0.00 0.00 54.97 53.12 2gqh s GLU 17 Cb -0.36 -0.94 0.19 0.00 -0.44 0.00 0.00 34.13 32.58 2gqh s GLU 17 CO 0.40 -0.49 1.16 -2.00 0.95 0.00 0.00 175.26 175.27 2gqh s GLU 18 N -3.75 0.17 0.17 -4.83 2.12 -1.26 -4.08 118.70 107.23 2gqh s GLU 18 Ca 0.13 0.30 -0.23 0.00 0.36 0.00 0.00 54.97 55.54 2gqh s GLU 18 Cb 0.01 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.52 2gqh s GLU 18 CO 0.09 -0.04 0.60 0.00 -0.54 0.00 0.00 175.26 175.38 2gqh s ALA 19 N 1.29 -1.54 1.13 6.30 0.00 -1.03 -4.99 121.76 122.91 2gqh s ALA 19 Ca -0.07 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2gqh s ALA 19 Cb -0.03 0.88 0.22 0.00 0.00 0.00 0.00 23.12 24.19 2gqh s ALA 19 CO -0.12 -0.79 0.92 -1.33 0.00 0.00 0.00 175.76 174.44 2gqh n MET 20 N -0.38 -2.09 -3.17 0.00 2.81 -1.26 -2.69 117.12 110.33 2gqh n MET 20 Ca -0.16 -1.46 -0.38 0.00 -1.81 0.00 0.00 57.70 53.89 2gqh n MET 20 Cb 0.64 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.88 2gqh n MET 20 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2gqh s GLU 21 N -5.07 4.30 0.00 0.03 2.12 0.23 -3.87 118.70 116.43 2gqh s GLU 21 Ca 0.57 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.76 2gqh s GLU 21 Cb -0.04 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2gqh s GLU 21 CO 0.42 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 176.13 2gqh n GLY 22 N 1.48 2.89 3.67 -1.50 0.00 0.59 -4.82 105.19 107.50 2gqh n GLY 22 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2gqh n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh s ALA 23 N -1.29 1.00 -0.28 4.61 0.00 -1.25 -2.84 121.76 121.71 2gqh s ALA 23 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2gqh s ALA 23 Cb 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.22 2gqh s ALA 23 CO 0.00 -3.20 0.05 0.99 0.00 0.00 0.00 175.76 173.60 2gqh s THR 24 N -3.16 3.74 1.08 0.00 2.01 -1.26 -1.33 115.64 116.71 2gqh s THR 24 Ca 0.70 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2gqh s THR 24 Cb -0.10 -2.91 0.25 0.00 0.01 0.00 0.00 72.50 69.75 2gqh s THR 24 CO 0.55 0.12 1.25 0.00 -0.69 0.00 0.00 174.62 175.86 2gqh s ALA 25 N 1.47 1.56 -0.29 7.40 0.00 -1.06 -4.88 121.76 125.96 2gqh s ALA 25 Ca 0.02 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 2gqh s ALA 25 Cb -0.17 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.27 2gqh s ALA 25 CO 0.01 -2.98 0.73 0.99 0.00 0.00 0.00 175.76 174.51 2gqh s THR 26 N -3.58 -0.26 0.20 0.00 2.01 -1.26 -3.31 115.64 109.44 2gqh s THR 26 Ca 0.74 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.84 2gqh s THR 26 Cb -0.05 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2gqh s THR 26 CO 0.54 0.00 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.56 2gqh s LEU 27 N 1.93 2.76 -0.03 4.42 1.43 -0.68 -4.99 118.68 123.51 2gqh s LEU 27 Ca -0.09 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.23 2gqh s LEU 27 Cb -0.06 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2gqh s LEU 27 CO -0.19 0.10 0.14 -1.58 0.23 0.00 0.00 176.35 175.05 2gqh s GLN 28 N -2.88 0.29 0.16 1.70 2.00 -1.26 -2.88 119.66 116.78 2gqh s GLN 28 Ca 0.24 -0.03 -0.17 0.00 -2.00 0.00 0.00 55.36 53.40 2gqh s GLN 28 Cb -0.08 0.13 0.03 0.00 0.80 0.00 0.00 33.01 33.89 2gqh s GLN 28 CO 0.14 -0.05 0.47 0.00 -0.50 0.00 0.00 175.29 175.34 2gqh s GLU 30 N -3.84 1.16 0.04 0.00 2.12 -1.26 -2.49 118.70 114.44 2gqh s GLU 30 Ca 0.06 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2gqh s GLU 30 Cb 0.00 -1.17 -0.03 0.00 0.26 0.00 0.00 34.13 33.19 2gqh s GLU 30 CO -0.08 0.31 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.19 2gqh s LEU 31 N -0.83 2.27 0.55 2.70 1.43 -0.56 -3.27 118.68 120.97 2gqh s LEU 31 Ca 0.05 -0.56 0.47 0.00 -1.03 0.00 0.00 54.13 53.06 2gqh s LEU 31 Cb -0.07 -1.34 1.69 0.00 0.03 0.00 0.00 46.19 46.50 2gqh s LEU 31 CO 0.01 0.26 1.63 -1.28 0.23 0.00 0.00 176.35 177.19 2gqh h SER 32 N 4.73 0.01 -4.73 2.29 0.87 -1.83 -3.41 113.55 111.48 2gqh h SER 32 Ca -0.47 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.08 2gqh h SER 32 Cb 1.15 0.01 -0.20 0.00 -0.44 0.00 0.00 62.40 62.91 2gqh h SER 32 CO 0.44 -0.01 0.30 -1.59 -0.53 0.00 0.00 176.83 175.45 2gqh s LYS 33 N -4.90 0.92 -0.09 2.24 -2.85 -1.26 -5.02 119.74 108.79 2gqh s LYS 33 Ca -0.05 0.21 -0.39 0.00 -1.00 0.00 0.00 55.97 54.74 2gqh s LYS 33 Cb 0.26 0.43 -0.16 0.00 -2.06 0.00 0.00 37.83 36.30 2gqh s LYS 33 CO 0.87 -0.29 1.51 0.00 0.10 0.00 0.00 175.35 177.55 2gqh n ALA 34 N 0.83 -0.73 -3.56 0.59 0.00 -1.26 -4.78 120.51 111.60 2gqh n ALA 34 Ca -0.16 0.46 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2gqh n ALA 34 Cb 0.57 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 2gqh n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gqh s ALA 35 N 1.84 -1.82 0.24 0.00 0.00 -1.25 -4.93 121.76 115.84 2gqh s ALA 35 Ca 0.91 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 54.11 2gqh s ALA 35 Cb -1.03 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 2gqh s ALA 35 CO 0.56 -0.34 1.27 -1.25 0.00 0.00 0.00 175.76 176.00 2gqh s PRO 36 N -0.81 4.42 0.43 0.00 0.04 -1.26 -4.98 135.00 132.83 2gqh s PRO 36 Ca -0.06 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2gqh s PRO 36 Cb -0.01 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2gqh s PRO 36 CO 0.06 -0.16 0.12 0.14 0.04 0.00 0.00 177.00 177.20 2gqh s VAL 37 N -0.39 0.61 -0.09 -0.36 -7.23 -1.26 -4.78 120.40 106.90 2gqh s VAL 37 Ca 0.53 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2gqh s VAL 37 Cb -0.36 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.32 2gqh s VAL 37 CO 0.42 0.00 0.22 -0.70 -0.31 0.00 0.00 175.10 174.73 2gqh s GLU 38 N -3.70 0.18 -0.07 4.82 2.56 -0.36 -5.00 118.70 117.13 2gqh s GLU 38 Ca 0.21 0.46 -0.05 0.00 0.00 0.00 0.00 54.97 55.59 2gqh s GLU 38 Cb 0.02 -0.10 -0.04 0.00 2.00 0.00 0.00 34.13 36.01 2gqh s GLU 38 CO 0.13 -0.14 0.15 -1.58 -0.56 0.00 0.00 175.26 173.26 2gqh s TRP 39 N 1.08 3.57 -0.01 5.30 0.52 -1.26 -1.11 118.94 127.02 2gqh s TRP 39 Ca -0.08 0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.51 2gqh s TRP 39 Cb -0.09 -1.89 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 2gqh s TRP 39 CO -0.07 0.69 -0.08 1.03 0.02 0.00 0.00 176.95 178.55 2gqh s ARG 40 N -1.43 0.72 -0.19 4.98 0.52 -0.67 -2.79 118.95 120.10 2gqh s ARG 40 Ca 0.20 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2gqh s ARG 40 Cb -0.12 -0.69 0.01 0.00 0.52 0.00 0.00 34.95 34.66 2gqh s ARG 40 CO 0.10 0.15 -0.15 0.21 0.02 0.00 0.00 175.30 175.63 2gqh s LYS 41 N -0.06 3.13 -1.37 3.54 2.36 -0.96 -2.68 119.74 123.69 2gqh s LYS 41 Ca 0.01 -0.76 -0.05 0.00 -2.55 0.00 0.00 55.97 52.62 2gqh s LYS 41 Cb -0.05 -2.69 0.00 0.00 -1.05 0.00 0.00 37.83 34.04 2gqh s LYS 41 CO -0.00 -0.16 0.44 0.41 1.55 0.00 0.00 175.35 177.59 2gqh n GLY 42 N 4.56 -0.35 3.31 5.54 0.00 -1.26 -0.66 105.19 116.33 2gqh n GLY 42 Ca -0.20 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2gqh n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gqh n LEU 43 N -4.42 -3.12 -4.31 0.99 4.32 -1.26 -5.00 117.00 104.19 2gqh n LEU 43 Ca -0.27 -0.44 -0.21 0.00 -0.02 0.00 0.00 56.01 55.07 2gqh n LEU 43 Cb 0.67 -2.86 -0.11 0.00 -1.62 0.00 0.00 43.42 39.49 2gqh n LEU 43 CO 0.75 0.50 -0.48 -0.70 -1.22 0.00 0.00 177.39 176.24 2gqh s GLU 44 N -6.06 1.22 -0.59 3.23 2.56 0.16 -5.10 118.70 114.12 2gqh s GLU 44 Ca 0.47 -1.36 -0.20 0.00 0.00 0.00 0.00 54.97 53.88 2gqh s GLU 44 Cb -0.21 -1.25 0.08 0.00 2.00 0.00 0.00 34.13 34.76 2gqh s GLU 44 CO 0.59 0.25 0.77 0.00 -0.56 0.00 0.00 175.26 176.31 2gqh s ALA 45 N -2.03 3.31 0.31 6.30 0.00 -1.26 -2.27 121.76 126.12 2gqh s ALA 45 Ca 0.14 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 2gqh s ALA 45 Cb -0.06 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 2gqh s ALA 45 CO 0.06 -2.39 1.14 -0.51 0.00 0.00 0.00 175.76 174.05 2gqh s LEU 46 N 3.12 4.47 -0.02 0.00 1.43 -1.12 -4.99 118.68 121.56 2gqh s LEU 46 Ca 0.16 2.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 2gqh s LEU 46 Cb -0.20 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 2gqh s LEU 46 CO 0.09 -0.28 -0.16 -0.13 0.23 0.00 0.00 176.35 176.10 2gqh s ARG 47 N -1.66 1.41 0.08 1.70 0.52 -1.26 -4.79 118.95 114.95 2gqh s ARG 47 Ca 0.47 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.82 2gqh s ARG 47 Cb -0.33 -1.31 -0.07 0.00 0.52 0.00 0.00 34.95 33.76 2gqh s ARG 47 CO 0.42 0.29 1.42 0.16 0.02 0.00 0.00 175.30 177.61 2gqh s ASP 48 N -0.19 6.81 0.00 0.23 -4.77 -1.26 -4.67 116.67 112.82 2gqh s ASP 48 Ca 0.02 2.29 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 2gqh s ASP 48 Cb -0.08 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2gqh s ASP 48 CO 0.00 -0.69 0.00 0.61 0.70 0.00 0.00 175.17 175.79 2gqh n GLY 49 N 3.57 -0.35 0.70 2.12 0.00 -1.18 -5.04 105.19 105.02 2gqh n GLY 49 Ca 0.12 0.56 -0.08 0.00 0.00 0.00 0.00 46.02 46.62 2gqh n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqh n ASP 50 N 0.00 1.01 -0.33 1.61 2.03 -1.26 -4.68 116.55 114.93 2gqh n ASP 50 Ca 0.00 0.16 0.12 0.00 0.52 0.00 0.00 54.79 55.59 2gqh n ASP 50 Cb 0.00 -0.38 0.33 0.00 -0.72 0.00 0.00 41.12 40.36 2gqh n ASP 50 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2gqh h LYS 51 N -0.36 0.75 -6.70 -0.67 1.63 -1.92 -3.42 116.57 105.88 2gqh h LYS 51 Ca -0.15 -0.04 -0.66 0.00 -0.85 0.00 0.00 60.65 58.95 2gqh h LYS 51 Cb 0.86 -0.17 -0.21 0.00 -0.60 0.00 0.00 32.23 32.11 2gqh h LYS 51 CO -0.09 0.49 -0.85 0.71 -3.45 0.00 0.00 179.45 176.26 2gqh s TYR 52 N -5.80 2.20 -0.48 1.91 2.02 -1.26 -1.24 117.35 114.70 2gqh s TYR 52 Ca -0.11 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2gqh s TYR 52 Cb 0.24 -1.17 0.13 0.00 -0.40 0.00 0.00 41.96 40.75 2gqh s TYR 52 CO 0.80 0.34 0.23 -1.12 -1.57 0.00 0.00 175.55 174.23 2gqh s SER 53 N -2.16 4.20 -0.13 2.29 0.01 -0.71 -3.09 113.70 114.12 2gqh s SER 53 Ca 0.14 -2.79 -0.29 0.00 1.31 0.00 0.00 55.95 54.31 2gqh s SER 53 Cb -0.10 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 2gqh s SER 53 CO 0.06 -0.26 1.05 -0.76 0.41 0.00 0.00 173.24 173.74 2gqh s LEU 54 N 0.04 4.22 -0.22 2.44 2.01 -1.26 -3.14 118.68 122.77 2gqh s LEU 54 Ca 0.16 1.54 -0.08 0.00 0.01 0.00 0.00 54.13 55.76 2gqh s LEU 54 Cb -0.25 -3.55 0.10 0.00 0.01 0.00 0.00 46.19 42.50 2gqh s LEU 54 CO -0.01 -0.53 0.48 0.00 1.01 0.00 0.00 176.35 177.30 2gqh s ARG 55 N 2.36 0.40 -0.06 1.70 1.70 -1.09 -5.07 118.95 118.88 2gqh s ARG 55 Ca 0.49 1.11 -0.00 0.00 -0.47 0.00 0.00 55.73 56.85 2gqh s ARG 55 Cb -0.18 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2gqh s ARG 55 CO 0.16 -0.23 -0.01 1.14 -1.08 0.00 0.00 175.30 175.28 2gqh s GLN 56 N 2.53 0.63 -1.10 3.89 -2.07 -1.26 -1.51 119.66 120.77 2gqh s GLN 56 Ca -0.04 0.05 -0.12 0.00 -1.82 0.00 0.00 55.36 53.43 2gqh s GLN 56 Cb -0.11 -0.88 0.23 0.00 -1.09 0.00 0.00 33.01 31.16 2gqh s GLN 56 CO -0.14 -0.22 1.18 0.34 -1.32 0.00 0.00 175.29 175.12 2gqh s ASP 57 N 1.58 7.14 0.66 12.60 2.15 0.22 -4.90 116.67 136.12 2gqh s ASP 57 Ca -0.01 -3.22 0.00 0.00 0.43 0.00 0.00 52.55 49.75 2gqh s ASP 57 Cb -0.13 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2gqh s ASP 57 CO -0.03 -0.51 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 2gqh n GLY 58 N 3.45 1.56 0.85 2.66 0.00 -1.26 -3.30 105.19 109.15 2gqh n GLY 58 Ca 0.27 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.01 2gqh n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh n ALA 59 N 5.50 2.49 -2.96 4.61 0.00 -1.26 -3.93 120.51 124.96 2gqh n ALA 59 Ca 0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.39 2gqh n ALA 59 Cb 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 2gqh n ALA 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gqh s VAL 60 N -2.00 4.55 -0.10 0.00 1.01 -1.21 -1.49 120.40 121.16 2gqh s VAL 60 Ca 0.30 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2gqh s VAL 60 Cb 0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2gqh s VAL 60 CO 0.31 -0.36 0.10 0.00 0.00 0.00 0.00 175.10 175.15 2gqh s GLU 62 N -1.09 -0.00 -0.12 0.00 2.12 -0.57 -2.09 118.70 116.95 2gqh s GLU 62 Ca 0.16 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.83 2gqh s GLU 62 Cb -0.12 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 33.95 2gqh s GLU 62 CO 0.05 -0.23 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.28 2gqh s LEU 63 N 1.60 3.02 -0.10 2.70 2.96 -1.14 -2.68 118.68 125.03 2gqh s LEU 63 Ca -0.03 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2gqh s LEU 63 Cb -0.12 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2gqh s LEU 63 CO -0.04 0.21 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.43 2gqh s GLN 64 N 0.08 3.08 -0.28 1.98 0.74 -1.19 -1.69 119.66 122.38 2gqh s GLN 64 Ca -0.03 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.51 2gqh s GLN 64 Cb -0.14 -2.41 -0.00 0.00 1.10 0.00 0.00 33.01 31.56 2gqh s GLN 64 CO 0.04 0.25 0.07 0.42 -0.55 0.00 0.00 175.29 175.51 2gqh s ILE 65 N 0.21 4.04 0.08 -2.34 1.09 -1.21 -1.74 121.20 121.34 2gqh s ILE 65 Ca -0.12 -0.52 -0.19 0.00 -1.10 0.00 0.00 60.65 58.72 2gqh s ILE 65 Cb -0.16 -3.01 -0.07 0.00 -1.06 0.00 0.00 42.46 38.16 2gqh s ILE 65 CO 0.07 0.18 0.57 -1.00 -0.10 0.00 0.00 174.94 174.66 2gqh s HIS 66 N 1.54 3.81 -0.34 3.97 3.76 -0.38 -2.57 115.29 125.07 2gqh s HIS 66 Ca 0.04 1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 56.12 2gqh s HIS 66 Cb -0.16 -2.50 0.01 0.00 1.11 0.00 0.00 32.58 31.04 2gqh s HIS 66 CO 0.02 0.59 0.46 0.41 -0.85 0.00 0.00 174.74 175.37 2gqh n GLY 67 N 1.71 -1.15 3.81 -2.22 0.00 -1.25 -4.91 105.19 101.18 2gqh n GLY 67 Ca -0.10 0.88 -0.32 0.00 0.00 0.00 0.00 46.02 46.49 2gqh n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqh s LEU 68 N -2.31 3.26 0.17 0.99 1.43 -0.44 -4.80 118.68 116.98 2gqh s LEU 68 Ca 0.17 1.68 -0.24 0.00 -1.03 0.00 0.00 54.13 54.72 2gqh s LEU 68 Cb -0.05 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.72 2gqh s LEU 68 CO 0.58 -1.34 0.84 0.00 0.23 0.00 0.00 176.35 176.66 2gqh s ALA 69 N -2.85 -1.53 0.08 4.21 0.00 -1.26 -0.30 121.76 120.11 2gqh s ALA 69 Ca 0.60 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 2gqh s ALA 69 Cb -0.15 0.70 -0.12 0.00 0.00 0.00 0.00 23.12 23.56 2gqh s ALA 69 CO 0.49 -0.97 1.45 0.52 0.00 0.00 0.00 175.76 177.25 2gqh h MET 70 N 2.00 -0.60 0.00 0.00 2.86 -1.96 0.15 114.93 117.38 2gqh h MET 70 Ca -0.23 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2gqh h MET 70 Cb 1.25 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2gqh h MET 70 CO 0.26 -0.40 0.00 0.00 1.06 0.00 0.00 176.91 177.83 2gqh n ALA 71 N -2.84 1.14 0.22 6.32 0.00 -1.26 -1.07 120.51 123.03 2gqh n ALA 71 Ca -0.07 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2gqh n ALA 71 Cb 0.34 -1.12 0.32 0.00 0.00 0.00 0.00 19.45 18.99 2gqh n ALA 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2gqh h ASP 72 N 0.00 0.00 -4.02 0.00 3.58 -1.10 -3.45 116.42 111.43 2gqh h ASP 72 Ca 0.00 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.00 2gqh h ASP 72 Cb 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2gqh h ASP 72 CO 0.00 0.12 0.30 0.54 -2.88 0.00 0.00 179.24 177.32 2gqh s ASN 73 N -6.12 6.85 0.00 2.28 2.20 -0.23 -4.89 114.94 115.03 2gqh s ASN 73 Ca 0.04 1.59 0.00 0.00 -0.94 0.00 0.00 52.86 53.55 2gqh s ASN 73 Cb 0.07 -2.50 0.00 0.00 -2.00 0.00 0.00 41.25 36.82 2gqh s ASN 73 CO 0.64 -0.38 0.00 0.61 -2.94 0.00 0.00 177.10 175.04 2gqh n GLY 74 N -0.78 -0.61 3.26 0.45 0.00 -1.23 -5.01 105.19 101.26 2gqh n GLY 74 Ca 0.06 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 2gqh n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gqh s VAL 75 N -3.00 4.79 0.93 1.61 1.01 -1.26 -2.14 120.40 122.33 2gqh s VAL 75 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.04 2gqh s VAL 75 Cb 0.00 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.44 2gqh s VAL 75 CO 0.00 -0.86 1.09 -0.31 0.00 0.00 0.00 175.10 175.02 2gqh s TYR 76 N 1.22 2.13 -0.08 5.22 1.51 -0.98 -4.52 117.35 121.85 2gqh s TYR 76 Ca 0.07 1.31 -0.08 0.00 -1.01 0.00 0.00 57.07 57.36 2gqh s TYR 76 Cb -0.25 -3.17 0.02 0.00 -0.11 0.00 0.00 41.96 38.45 2gqh s TYR 76 CO -0.00 -2.60 0.23 -1.54 -1.11 0.00 0.00 175.55 170.53 2gqh s SER 77 N -3.23 -0.23 -0.31 2.29 1.04 -1.09 -2.40 113.70 109.76 2gqh s SER 77 Ca 0.64 0.42 0.01 0.00 0.48 0.00 0.00 55.95 57.50 2gqh s SER 77 Cb -0.19 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2gqh s SER 77 CO 0.58 -0.11 0.07 0.00 0.98 0.00 0.00 173.24 174.75 2gqh s VAL 79 N 1.35 5.00 -0.23 0.00 1.01 -0.27 -2.58 120.40 124.68 2gqh s VAL 79 Ca 0.09 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2gqh s VAL 79 Cb -0.18 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 2gqh s VAL 79 CO -0.18 -0.06 -0.19 0.00 0.00 0.00 0.00 175.10 174.67 2gqh n GLY 81 N 2.33 -1.23 0.11 0.00 0.00 -1.26 -4.77 105.19 100.37 2gqh n GLY 81 Ca -0.41 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2gqh n GLY 81 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2gqh h GLN 82 N 0.00 0.19 -6.05 1.61 4.20 -1.98 -3.47 115.11 109.60 2gqh h GLN 82 Ca 0.00 -0.32 -0.55 0.00 0.06 0.00 0.00 58.65 57.84 2gqh h GLN 82 Cb 0.00 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 2gqh h GLN 82 CO 0.00 0.98 -0.53 -1.83 -0.67 0.00 0.00 178.83 176.78 2gqh s GLU 83 N -2.60 2.32 -0.12 1.46 1.03 -1.26 -5.15 118.70 114.39 2gqh s GLU 83 Ca -0.11 -1.62 -0.18 0.00 0.03 0.00 0.00 54.97 53.08 2gqh s GLU 83 Cb 0.07 -2.13 0.04 0.00 -0.80 0.00 0.00 34.13 31.32 2gqh s GLU 83 CO 0.82 0.05 0.46 -0.98 -1.33 0.00 0.00 175.26 174.29 2gqh s ARG 84 N -3.86 0.66 0.14 -4.83 3.03 -1.26 -3.27 118.95 109.55 2gqh s ARG 84 Ca 0.39 0.38 0.05 0.00 2.03 0.00 0.00 55.73 58.57 2gqh s ARG 84 Cb -0.01 0.31 -0.04 0.00 -1.03 0.00 0.00 34.95 34.18 2gqh s ARG 84 CO 0.23 -0.14 0.10 -0.08 -1.13 0.00 0.00 175.30 174.28 2gqh s THR 85 N -0.38 4.39 0.01 4.99 -1.32 -1.06 -4.91 115.64 117.36 2gqh s THR 85 Ca -0.05 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.42 2gqh s THR 85 Cb -0.03 -3.19 -0.01 0.00 -1.51 0.00 0.00 72.50 67.75 2gqh s THR 85 CO 0.03 -0.03 -0.07 -0.44 -2.21 0.00 0.00 174.62 171.90 2gqh s SER 86 N -2.84 0.77 0.24 8.08 0.01 -1.26 -0.57 113.70 118.13 2gqh s SER 86 Ca 0.30 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2gqh s SER 86 Cb -0.11 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 2gqh s SER 86 CO 0.22 -0.01 0.06 0.00 0.41 0.00 0.00 173.24 173.92 2gqh n ALA 87 N 2.48 0.30 -3.75 1.44 0.00 -1.01 -4.91 120.51 115.06 2gqh n ALA 87 Ca -0.16 -1.17 -0.22 0.00 0.00 0.00 0.00 53.44 51.89 2gqh n ALA 87 Cb 0.57 0.75 -0.17 0.00 0.00 0.00 0.00 19.45 20.59 2gqh n ALA 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gqh s THR 88 N -2.29 0.42 -0.26 0.00 2.01 -1.26 -2.33 115.64 111.93 2gqh s THR 88 Ca 0.08 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 2gqh s THR 88 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2gqh s THR 88 CO 0.06 0.26 0.14 -0.22 -0.69 0.00 0.00 174.62 174.16 2gqh s LEU 89 N 1.77 3.80 -0.44 4.42 2.96 -0.91 -3.46 118.68 126.82 2gqh s LEU 89 Ca 0.02 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 2gqh s LEU 89 Cb -0.13 -2.04 0.04 0.00 0.50 0.00 0.00 46.19 44.57 2gqh s LEU 89 CO -0.04 -0.03 0.39 -0.89 -1.32 0.00 0.00 176.35 174.46 2gqh s THR 90 N 1.63 5.18 -0.23 3.68 2.01 -1.26 -3.57 115.64 123.08 2gqh s THR 90 Ca 0.07 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 2gqh s THR 90 Cb -0.15 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2gqh s THR 90 CO 0.08 -0.48 0.15 -0.69 -0.69 0.00 0.00 174.62 172.99 2gqh s VAL 91 N 1.85 5.33 -0.18 3.82 1.01 -1.25 -2.48 120.40 128.50 2gqh s VAL 91 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2gqh s VAL 91 Cb -0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2gqh s VAL 91 CO 0.10 0.37 0.11 -0.13 0.00 0.00 0.00 175.10 175.55 2gqh s ARG 92 N 0.87 4.04 0.13 2.72 0.52 -1.10 -4.86 118.95 121.28 2gqh s ARG 92 Ca 0.07 -0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 2gqh s ARG 92 Cb -0.13 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 2gqh s ARG 92 CO 0.03 0.35 0.99 0.00 0.02 0.00 0.00 175.30 176.69 2gqh s ALA 93 N 0.19 3.28 0.42 2.13 0.00 -1.26 0.75 121.76 127.26 2gqh s ALA 93 Ca 0.08 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 2gqh s ALA 93 Cb -0.11 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2gqh s ALA 93 CO -0.01 -0.04 1.07 -0.51 0.00 0.00 0.00 175.76 176.27 2gqh s LEU 94 N -0.17 4.07 0.29 0.00 1.02 -1.26 -4.92 118.68 117.70 2gqh s LEU 94 Ca 0.47 2.06 -0.29 0.00 0.02 0.00 0.00 54.13 56.39 2gqh s LEU 94 Cb -0.25 -4.26 -0.10 0.00 0.02 0.00 0.00 46.19 41.61 2gqh s LEU 94 CO 0.31 -0.61 1.24 -2.16 0.02 0.00 0.00 176.35 175.15 2gqh s PRO 95 N -2.65 4.45 -0.65 1.29 0.04 -1.26 -4.97 135.00 131.25 2gqh s PRO 95 Ca 0.60 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.45 2gqh s PRO 95 Cb -0.22 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.24 2gqh s PRO 95 CO 0.27 -0.07 1.08 0.00 0.04 0.00 0.00 177.00 178.32 2gqh s ALA 96 N -0.93 3.00 -0.38 8.56 0.00 -1.26 -4.98 121.76 125.77 2gqh s ALA 96 Ca 0.49 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2gqh s ALA 96 Cb -0.37 -3.97 0.10 0.00 0.00 0.00 0.00 23.12 18.88 2gqh s ALA 96 CO 0.47 -2.83 0.14 1.03 0.00 0.00 0.00 175.76 174.57 2gqh s ARG 97 N 4.63 1.97 -0.70 0.00 1.81 -1.26 -5.04 118.95 120.37 2gqh s ARG 97 Ca 0.30 -1.74 -0.05 0.00 -1.72 0.00 0.00 55.73 52.52 2gqh s ARG 97 Cb -0.12 -3.44 0.18 0.00 -0.45 0.00 0.00 34.95 31.12 2gqh s ARG 97 CO 0.15 -0.97 0.55 0.12 -0.68 0.00 0.00 175.30 174.47 2gqh s PHE 98 N 1.11 3.52 0.64 -0.53 2.19 -1.26 -5.08 117.98 118.57 2gqh s PHE 98 Ca 0.06 -2.58 -0.14 0.00 0.33 0.00 0.00 56.93 54.60 2gqh s PHE 98 Cb -0.22 -3.35 -0.02 0.00 -1.31 0.00 0.00 43.02 38.13 2gqh s PHE 98 CO -0.04 -0.87 1.07 0.96 1.83 0.00 0.00 175.22 178.16 2gqh s ILE 99 N -0.13 3.78 0.31 3.12 -4.36 -1.26 -5.07 121.20 117.58 2gqh s ILE 99 Ca 0.18 0.75 0.08 0.00 -0.26 0.00 0.00 60.65 61.41 2gqh s ILE 99 Cb -0.17 -3.33 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 2gqh s ILE 99 CO -0.05 -0.58 0.13 -1.83 0.24 0.00 0.00 174.94 172.85 2gqh s GLU 100 N -4.37 2.48 -0.91 0.37 -1.05 -1.26 -5.05 118.70 108.91 2gqh s GLU 100 Ca 0.62 -1.41 -0.24 0.00 -0.15 0.00 0.00 54.97 53.79 2gqh s GLU 100 Cb -0.16 -2.27 0.03 0.00 -0.44 0.00 0.00 34.13 31.29 2gqh s GLU 100 CO 0.43 0.22 1.46 0.34 0.95 0.00 0.00 175.26 178.66 2gqh s ASP 101 N -3.82 6.23 0.11 0.83 2.15 -1.26 -4.97 116.67 115.93 2gqh s ASP 101 Ca 0.36 -1.00 0.09 0.00 0.43 0.00 0.00 52.55 52.42 2gqh s ASP 101 Cb -0.05 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 2gqh s ASP 101 CO 0.23 -1.75 -0.20 -0.55 -0.17 0.00 0.00 175.17 172.72 2gqh s SER 102 N 5.02 3.74 0.00 -0.34 0.15 -1.26 -5.07 113.70 115.94 2gqh s SER 102 Ca 0.46 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2gqh s SER 102 Cb -0.04 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2gqh s SER 102 CO -0.00 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2gqh n GLY 103 N 0.92 -2.01 3.60 9.45 0.00 -1.26 -5.18 105.19 110.71 2gqh n GLY 103 Ca -0.16 0.96 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 2gqh n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gqh s PRO 104 N 0.00 -1.14 0.23 1.61 0.04 -1.26 -5.10 135.00 129.38 2gqh s PRO 104 Ca 0.00 -0.04 -0.21 0.00 0.04 0.00 0.00 61.00 60.79 2gqh s PRO 104 Cb 0.00 -1.60 0.04 0.00 0.04 0.00 0.00 34.50 32.97 2gqh s PRO 104 CO 0.00 -3.66 0.64 -1.12 0.04 0.00 0.00 177.00 172.90 2gqh s SER 105 N -3.87 -0.35 0.21 6.66 0.01 -1.26 -5.05 113.70 110.05 2gqh s SER 105 Ca 0.71 -0.41 -0.15 0.00 1.31 0.00 0.00 55.95 57.40 2gqh s SER 105 Cb -0.10 0.66 0.22 0.00 0.21 0.00 0.00 66.02 67.01 2gqh s SER 105 CO 0.56 -1.17 1.61 -1.28 0.41 0.00 0.00 173.24 173.37 2gqh h SER 106 N 2.05 -0.77 0.00 2.44 0.87 -2.11 -3.58 113.55 112.45 2gqh h SER 106 Ca -0.26 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2gqh h SER 106 Cb 1.27 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2gqh h SER 106 CO 0.31 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.97