#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqh s SER 2 N 0.00 3.71 -0.06 1.61 0.15 -1.26 -5.10 113.70 112.76 2gqh s SER 2 Ca 0.00 -0.51 -0.20 0.00 0.70 0.00 0.00 55.95 55.94 2gqh s SER 2 Cb 0.00 -1.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.75 2gqh s SER 2 CO 0.00 0.00 0.44 -0.44 1.20 0.00 0.00 173.24 174.45 2gqh s SER 3 N 1.31 -0.38 0.00 5.45 0.01 -1.26 -5.17 113.70 113.67 2gqh s SER 3 Ca 0.04 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2gqh s SER 3 Cb -0.14 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2gqh s SER 3 CO -0.07 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2gqh n GLY 4 N 1.48 -0.78 3.63 3.44 0.00 -1.26 -5.11 105.19 106.60 2gqh n GLY 4 Ca -0.19 -0.67 -0.49 0.00 0.00 0.00 0.00 46.02 44.67 2gqh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gqh n SER 5 N 0.02 3.13 -4.50 1.61 2.88 -1.26 -4.87 113.62 110.63 2gqh n SER 5 Ca 0.00 0.79 -0.40 0.00 -1.33 0.00 0.00 58.87 57.92 2gqh n SER 5 Cb 0.00 -1.36 0.02 0.00 -0.75 0.00 0.00 64.21 62.12 2gqh n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2gqh n SER 6 N 7.77 -0.40 -3.98 -3.46 3.41 -1.26 -5.00 113.62 110.69 2gqh n SER 6 Ca 0.27 0.87 -0.08 0.00 -0.26 0.00 0.00 58.87 59.67 2gqh n SER 6 Cb 0.29 -1.20 -0.09 0.00 -0.26 0.00 0.00 64.21 62.96 2gqh n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gqh s GLY 7 N -1.00 0.29 -0.18 5.00 0.00 -1.26 -5.15 107.32 105.02 2gqh s GLY 7 Ca 0.66 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 2gqh s GLY 7 CO 0.56 -1.08 0.06 0.00 0.00 0.00 0.00 173.10 172.64 2gqh s ALA 8 N -3.89 3.40 0.20 3.20 0.00 -1.26 -4.92 121.76 118.49 2gqh s ALA 8 Ca 0.06 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.32 2gqh s ALA 8 Cb 0.07 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2gqh s ALA 8 CO -0.10 0.16 0.17 -0.98 0.00 0.00 0.00 175.76 175.00 2gqh s ARG 9 N 0.41 2.93 -0.81 0.00 1.70 -1.26 -4.81 118.95 117.11 2gqh s ARG 9 Ca 0.03 -0.93 -0.24 0.00 -0.47 0.00 0.00 55.73 54.12 2gqh s ARG 9 Cb -0.12 -2.62 0.06 0.00 -0.57 0.00 0.00 34.95 31.69 2gqh s ARG 9 CO 0.00 0.45 1.22 -0.06 -1.08 0.00 0.00 175.30 175.83 2gqh s PHE 10 N -1.90 2.56 -0.04 5.89 0.08 -1.26 -1.54 117.98 121.77 2gqh s PHE 10 Ca 0.32 -0.56 0.12 0.00 0.12 0.00 0.00 56.93 56.93 2gqh s PHE 10 Cb -0.09 -4.51 -0.13 0.00 -0.57 0.00 0.00 43.02 37.71 2gqh s PHE 10 CO 0.24 -1.85 1.08 0.00 -0.10 0.00 0.00 175.22 174.58 2gqh h THR 11 N 6.18 1.04 0.00 0.64 1.03 -1.93 -3.37 112.91 116.50 2gqh h THR 11 Ca -0.11 -2.65 -0.33 0.00 -0.01 0.00 0.00 66.41 63.31 2gqh h THR 11 Cb 1.04 2.47 -0.06 0.00 -1.07 0.00 0.00 68.15 70.53 2gqh h THR 11 CO 1.27 0.59 -2.26 1.21 -0.01 0.00 0.00 175.52 176.32 2gqh n GLU 12 N -3.15 0.81 0.00 0.00 4.07 -1.23 -5.09 120.64 116.05 2gqh n GLU 12 Ca -0.06 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2gqh n GLU 12 Cb 0.89 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 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 2.19 -1.21 3.08 8.31 0.00 -1.26 -4.74 105.19 111.56 2gqh n GLY 13 Ca -0.35 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 3.46 1.09 0.99 1.43 -1.26 -4.36 118.68 120.02 2gqh s LEU 14 Ca 0.00 -1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 51.58 2gqh s LEU 14 Cb 0.00 -1.56 0.24 0.00 0.03 0.00 0.00 46.19 44.90 2gqh s LEU 14 CO 0.00 -0.19 1.07 -0.60 0.23 0.00 0.00 176.35 176.86 2gqh s ARG 15 N 1.11 -0.27 0.46 1.70 3.52 -1.26 -4.63 118.95 119.58 2gqh s ARG 15 Ca -0.09 0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 55.81 2gqh s ARG 15 Cb -0.20 -1.65 -0.08 0.00 -1.56 0.00 0.00 34.95 31.46 2gqh s ARG 15 CO -0.05 -3.21 1.10 -0.80 -0.81 0.00 0.00 175.30 171.53 2gqh s ASN 16 N -3.21 6.32 0.03 -2.12 0.01 -1.26 -4.70 114.94 110.00 2gqh s ASN 16 Ca 0.67 2.12 0.07 0.00 -0.71 0.00 0.00 52.86 55.00 2gqh s ASN 16 Cb -0.20 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.85 2gqh s ASN 16 CO 0.60 -0.81 -0.18 -0.70 -1.51 0.00 0.00 177.10 174.50 2gqh s GLU 17 N -2.85 2.09 -0.04 -0.60 2.56 -0.91 -5.01 118.70 113.93 2gqh s GLU 17 Ca 0.64 -0.96 -0.01 0.00 0.00 0.00 0.00 54.97 54.63 2gqh s GLU 17 Cb -0.23 -2.19 0.03 0.00 2.00 0.00 0.00 34.13 33.75 2gqh s GLU 17 CO 0.28 0.55 0.08 -1.21 -0.56 0.00 0.00 175.26 174.40 2gqh s GLU 18 N -1.34 0.00 0.25 4.30 2.02 -1.26 -1.83 118.70 120.84 2gqh s GLU 18 Ca 0.14 0.30 -0.18 0.00 0.02 0.00 0.00 54.97 55.26 2gqh s GLU 18 Cb -0.10 -0.26 0.02 0.00 0.10 0.00 0.00 34.13 33.88 2gqh s GLU 18 CO 0.04 -0.20 0.60 0.00 0.02 0.00 0.00 175.26 175.73 2gqh s ALA 19 N 1.34 -0.86 0.49 5.21 0.00 -0.12 -4.95 121.76 122.86 2gqh s ALA 19 Ca -0.06 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2gqh s ALA 19 Cb -0.12 0.92 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2gqh s ALA 19 CO -0.04 -0.93 0.69 -1.64 0.00 0.00 0.00 175.76 173.84 2gqh s MET 20 N -3.94 2.77 0.07 0.00 -1.94 -1.26 -2.94 119.30 112.06 2gqh s MET 20 Ca 0.14 -0.78 -0.31 0.00 -1.71 0.00 0.00 55.69 53.03 2gqh s MET 20 Cb -0.03 -2.57 -0.08 0.00 2.01 0.00 0.00 34.83 34.15 2gqh s MET 20 CO 0.05 -0.46 1.63 -2.00 -0.01 0.00 0.00 175.02 174.23 2gqh s GLU 21 N -4.60 4.20 0.00 2.03 2.12 0.16 -1.79 118.70 120.83 2gqh s GLU 21 Ca 0.53 2.30 0.00 0.00 0.36 0.00 0.00 54.97 58.17 2gqh s GLU 21 Cb -0.10 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.71 2gqh s GLU 21 CO 0.37 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 2gqh n GLY 22 N 3.96 0.84 3.09 -1.50 0.00 -0.66 -4.70 105.19 106.22 2gqh n GLY 22 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2gqh n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqh n ALA 23 N -1.44 -2.39 -3.87 4.61 0.00 -0.74 -4.18 120.51 112.51 2gqh n ALA 23 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 53.44 51.68 2gqh n ALA 23 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 2gqh n ALA 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2gqh s THR 24 N -2.96 2.78 0.48 0.00 2.01 -1.26 -2.66 115.64 114.02 2gqh s THR 24 Ca 0.62 -2.01 -0.23 0.00 0.31 0.00 0.00 61.69 60.38 2gqh s THR 24 Cb -0.05 -2.88 -0.07 0.00 0.01 0.00 0.00 72.50 69.52 2gqh s THR 24 CO 0.46 -0.50 1.23 0.00 -0.69 0.00 0.00 174.62 175.12 2gqh s ALA 25 N 1.07 2.97 -0.23 7.40 0.00 -1.21 -4.86 121.76 126.90 2gqh s ALA 25 Ca 0.05 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 2gqh s ALA 25 Cb -0.21 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.58 2gqh s ALA 25 CO -0.05 -0.87 0.26 0.99 0.00 0.00 0.00 175.76 176.10 2gqh s THR 26 N -1.45 -0.39 0.39 0.00 2.01 -1.26 -1.66 115.64 113.29 2gqh s THR 26 Ca 0.65 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2gqh s THR 26 Cb -0.33 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2gqh s THR 26 CO 0.40 -0.24 0.59 -0.76 -0.69 0.00 0.00 174.62 173.91 2gqh s LEU 27 N 2.37 3.83 -0.21 4.42 1.43 -0.58 -4.95 118.68 125.00 2gqh s LEU 27 Ca 0.08 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 2gqh s LEU 27 Cb -0.15 -3.11 0.06 0.00 0.03 0.00 0.00 46.19 43.02 2gqh s LEU 27 CO -0.17 -0.52 0.51 -1.58 0.23 0.00 0.00 176.35 174.82 2gqh s GLN 28 N -4.40 0.54 -0.06 1.70 0.74 -1.26 -2.91 119.66 114.01 2gqh s GLN 28 Ca 0.45 0.88 -0.12 0.00 0.05 0.00 0.00 55.36 56.62 2gqh s GLN 28 Cb -0.10 0.11 0.02 0.00 1.10 0.00 0.00 33.01 34.15 2gqh s GLN 28 CO 0.36 -0.13 0.28 0.00 -0.55 0.00 0.00 175.29 175.25 2gqh s GLU 30 N -0.54 2.87 0.05 0.00 2.12 -1.26 -1.40 118.70 120.54 2gqh s GLU 30 Ca -0.06 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.75 2gqh s GLU 30 Cb -0.04 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 2gqh s GLU 30 CO 0.02 0.60 0.02 -0.51 -0.54 0.00 0.00 175.26 174.85 2gqh s LEU 31 N -0.65 3.57 0.51 2.70 1.43 -0.39 -3.54 118.68 122.31 2gqh s LEU 31 Ca 0.10 -0.07 0.37 0.00 -1.03 0.00 0.00 54.13 53.50 2gqh s LEU 31 Cb -0.11 -2.20 1.53 0.00 0.03 0.00 0.00 46.19 45.44 2gqh s LEU 31 CO 0.02 0.22 1.71 0.77 0.23 0.00 0.00 176.35 179.29 2gqh h SER 32 N 3.75 0.10 -3.83 2.29 4.64 -1.61 -3.41 113.55 115.48 2gqh h SER 32 Ca -0.48 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2gqh h SER 32 Cb 1.17 0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 2gqh h SER 32 CO 0.60 -0.02 0.20 -1.59 -0.87 0.00 0.00 176.83 175.15 2gqh s LYS 33 N -5.05 0.77 -0.41 4.77 -2.85 -1.26 -4.99 119.74 110.71 2gqh s LYS 33 Ca -0.06 0.90 -0.39 0.00 -1.00 0.00 0.00 55.97 55.43 2gqh s LYS 33 Cb 0.25 0.37 -0.16 0.00 -2.06 0.00 0.00 37.83 36.23 2gqh s LYS 33 CO 0.83 -0.09 1.36 0.00 0.10 0.00 0.00 175.35 177.55 2gqh n ALA 34 N 2.57 -1.02 -3.45 0.59 0.00 -1.26 -4.72 120.51 113.22 2gqh n ALA 34 Ca -0.14 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.53 2gqh n ALA 34 Cb 0.55 -1.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 2.68 -1.52 0.38 0.00 0.00 -1.26 -4.84 121.76 117.20 2gqh s ALA 35 Ca 0.88 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 2gqh s ALA 35 Cb -1.24 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 2gqh s ALA 35 CO 0.67 -0.34 1.20 -1.25 0.00 0.00 0.00 175.76 176.04 2gqh s PRO 36 N -1.21 4.16 0.26 0.00 0.04 -1.26 -4.91 135.00 132.07 2gqh s PRO 36 Ca -0.12 1.94 0.01 0.00 0.04 0.00 0.00 61.00 62.88 2gqh s PRO 36 Cb -0.01 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 2gqh s PRO 36 CO 0.08 -0.26 0.09 0.14 0.04 0.00 0.00 177.00 177.09 2gqh s VAL 37 N -1.32 0.61 -0.14 -0.36 -7.23 -1.26 -4.56 120.40 106.14 2gqh s VAL 37 Ca 0.54 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2gqh s VAL 37 Cb -0.33 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.04 2gqh s VAL 37 CO 0.43 -0.03 0.07 -0.70 -0.31 0.00 0.00 175.10 174.56 2gqh s GLU 38 N -4.02 0.13 0.26 4.82 2.12 0.87 -4.97 118.70 117.91 2gqh s GLU 38 Ca 0.37 -0.02 -0.25 0.00 0.36 0.00 0.00 54.97 55.43 2gqh s GLU 38 Cb 0.08 -1.55 -0.09 0.00 0.26 0.00 0.00 34.13 32.83 2gqh s GLU 38 CO 0.13 -0.58 0.86 -1.58 -0.54 0.00 0.00 175.26 173.56 2gqh s TRP 39 N 2.10 3.78 -0.05 5.30 0.52 -1.26 -1.65 118.94 127.69 2gqh s TRP 39 Ca 0.02 1.70 -0.03 0.00 0.02 0.00 0.00 56.10 57.81 2gqh s TRP 39 Cb -0.15 -2.84 0.02 0.00 -1.15 0.00 0.00 33.47 29.35 2gqh s TRP 39 CO -0.07 0.34 0.12 1.03 0.02 0.00 0.00 176.95 178.39 2gqh s ARG 40 N -1.69 0.10 -0.50 4.98 0.52 -0.24 -2.90 118.95 119.22 2gqh s ARG 40 Ca 0.44 0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 55.73 2gqh s ARG 40 Cb -0.20 -0.06 0.09 0.00 0.52 0.00 0.00 34.95 35.29 2gqh s ARG 40 CO 0.25 -0.09 0.45 0.21 0.02 0.00 0.00 175.30 176.15 2gqh s LYS 41 N 0.58 3.00 3.01 3.54 2.20 -1.21 -1.68 119.74 129.18 2gqh s LYS 41 Ca -0.04 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 2gqh s LYS 41 Cb -0.06 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 2gqh s LYS 41 CO -0.03 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 2gqh n GLY 42 N 5.21 0.27 2.67 5.54 0.00 -1.19 -2.62 105.19 115.07 2gqh n GLY 42 Ca -0.12 0.67 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 3.54 -3.80 0.99 4.32 -1.26 -5.02 117.00 115.76 2gqh n LEU 43 Ca 0.00 -5.48 -0.05 0.00 -0.02 0.00 0.00 56.01 50.47 2gqh n LEU 43 Cb 0.00 -0.33 -0.01 0.00 -1.62 0.00 0.00 43.42 41.47 2gqh n LEU 43 CO 0.00 2.26 0.66 -0.70 -1.22 0.00 0.00 177.39 178.39 2gqh s GLU 44 N -2.96 1.47 -0.30 3.23 2.12 -1.08 -5.14 118.70 116.04 2gqh s GLU 44 Ca 0.45 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.95 2gqh s GLU 44 Cb 0.25 0.47 0.08 0.00 0.26 0.00 0.00 34.13 35.19 2gqh s GLU 44 CO -0.10 -0.68 -0.02 0.00 -0.54 0.00 0.00 175.26 173.92 2gqh s ALA 45 N -3.17 2.75 0.32 6.30 0.00 -1.26 -3.32 121.76 123.38 2gqh s ALA 45 Ca 0.14 -2.08 -0.29 0.00 0.00 0.00 0.00 51.96 49.73 2gqh s ALA 45 Cb -0.03 -1.81 -0.10 0.00 0.00 0.00 0.00 23.12 21.18 2gqh s ALA 45 CO 0.05 -1.41 1.21 -0.51 0.00 0.00 0.00 175.76 175.09 2gqh s LEU 46 N 1.05 4.45 -0.02 0.00 1.43 -1.14 -5.00 118.68 119.45 2gqh s LEU 46 Ca -0.01 2.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.66 2gqh s LEU 46 Cb -0.20 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 2gqh s LEU 46 CO -0.06 -0.40 -0.25 0.00 0.23 0.00 0.00 176.35 175.88 2gqh s ARG 47 N -1.72 2.11 -0.43 1.70 1.70 -1.26 -4.75 118.95 116.30 2gqh s ARG 47 Ca 0.48 -0.93 -0.29 0.00 -0.47 0.00 0.00 55.73 54.52 2gqh s ARG 47 Cb -0.36 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 31.98 2gqh s ARG 47 CO 0.47 0.56 1.19 0.16 -1.08 0.00 0.00 175.30 176.59 2gqh s ASP 48 N -0.69 6.64 0.00 -2.89 1.47 -1.26 -4.46 116.67 115.47 2gqh s ASP 48 Ca 0.10 0.68 0.00 0.00 1.18 0.00 0.00 52.55 54.51 2gqh s ASP 48 Cb -0.10 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.93 2gqh s ASP 48 CO -0.01 -1.21 0.00 0.61 0.68 0.00 0.00 175.17 175.25 2gqh n GLY 49 N 4.68 0.48 0.39 2.12 0.00 -1.20 -5.00 105.19 106.67 2gqh n GLY 49 Ca 0.13 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.31 2gqh n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gqh n ASP 50 N 0.00 1.42 -0.11 1.61 8.00 -1.26 -4.65 116.55 121.55 2gqh n ASP 50 Ca 0.00 0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 2gqh n ASP 50 Cb 0.00 -0.54 0.02 0.00 -0.02 0.00 0.00 41.12 40.58 2gqh n ASP 50 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2gqh h LYS 51 N -0.64 0.06 -6.11 -1.24 1.63 -1.97 -3.43 116.57 104.87 2gqh h LYS 51 Ca -0.48 -0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 58.74 2gqh h LYS 51 Cb 1.43 -0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.94 2gqh h LYS 51 CO -0.28 0.04 -0.66 0.71 -3.45 0.00 0.00 179.45 175.82 2gqh s TYR 52 N -6.19 2.53 -0.22 1.91 2.02 -1.26 -3.15 117.35 112.99 2gqh s TYR 52 Ca -0.14 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2gqh s TYR 52 Cb 0.14 -1.30 0.06 0.00 -0.40 0.00 0.00 41.96 40.46 2gqh s TYR 52 CO 0.71 0.57 -0.04 0.45 -1.57 0.00 0.00 175.55 175.67 2gqh s SER 53 N -3.66 3.64 -0.19 2.29 0.15 -0.67 -3.22 113.70 112.03 2gqh s SER 53 Ca 0.33 -1.09 -0.07 0.00 0.70 0.00 0.00 55.95 55.82 2gqh s SER 53 Cb -0.03 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 2gqh s SER 53 CO 0.19 -0.24 0.05 -0.76 1.20 0.00 0.00 173.24 173.67 2gqh s LEU 54 N 1.48 3.63 -0.34 3.45 2.01 -1.26 -2.26 118.68 125.39 2gqh s LEU 54 Ca -0.05 -0.02 0.13 0.00 0.01 0.00 0.00 54.13 54.20 2gqh s LEU 54 Cb -0.18 -1.92 0.46 0.00 0.01 0.00 0.00 46.19 44.55 2gqh s LEU 54 CO -0.07 0.13 1.07 -2.11 1.01 0.00 0.00 176.35 176.38 2gqh n ARG 55 N 3.84 2.44 -1.69 1.70 1.85 -1.22 -5.07 116.66 118.52 2gqh n ARG 55 Ca -0.17 -3.88 -0.62 0.00 -1.00 0.00 0.00 57.85 52.19 2gqh n ARG 55 Cb 0.52 -1.82 -0.08 0.00 -1.05 0.00 0.00 32.46 30.02 2gqh n ARG 55 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2gqh n GLN 56 N -0.41 0.46 -4.11 2.89 0.00 -1.26 -4.57 117.38 110.38 2gqh n GLN 56 Ca 0.25 0.17 -0.26 0.00 -0.00 0.00 0.00 57.00 57.16 2gqh n GLN 56 Cb 0.79 -1.74 -0.05 0.00 0.00 0.00 0.00 30.24 29.24 2gqh n GLN 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2gqh s ASP 57 N 2.55 4.48 -0.58 1.69 1.01 0.18 -4.98 116.67 121.03 2gqh s ASP 57 Ca 0.99 -1.19 -0.28 0.00 0.71 0.00 0.00 52.55 52.78 2gqh s ASP 57 Cb -1.29 -0.08 -0.11 0.00 1.01 0.00 0.00 42.92 42.46 2gqh s ASP 57 CO 0.70 -0.76 2.45 0.61 0.21 0.00 0.00 175.17 178.38 2gqh n GLY 58 N -1.42 0.11 2.29 0.21 0.00 -1.26 -0.30 105.19 104.82 2gqh n GLY 58 Ca -0.04 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 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 13.66 -0.27 -3.09 4.61 0.00 -1.26 -4.78 120.51 129.38 2gqh n ALA 59 Ca 0.44 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 2gqh n ALA 59 Cb 0.38 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.53 0.06 -0.06 0.00 1.01 0.59 -1.26 120.40 118.21 2gqh s VAL 60 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2gqh s VAL 60 Cb 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.04 2gqh s VAL 60 CO 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 175.10 174.91 2gqh s GLU 62 N 2.23 2.53 -0.25 0.00 2.12 -1.26 -2.01 118.70 122.05 2gqh s GLU 62 Ca 0.04 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.56 2gqh s GLU 62 Cb -0.12 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 2gqh s GLU 62 CO -0.04 -0.26 0.09 -1.17 -0.54 0.00 0.00 175.26 173.34 2gqh s LEU 63 N 1.38 3.59 -0.17 2.70 2.96 -1.14 -3.40 118.68 124.60 2gqh s LEU 63 Ca 0.04 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2gqh s LEU 63 Cb -0.14 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2gqh s LEU 63 CO -0.11 -0.02 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.74 2gqh s GLN 64 N 1.52 3.52 -0.15 1.98 -0.21 -0.96 -1.53 119.66 123.83 2gqh s GLN 64 Ca 0.06 -0.59 -0.06 0.00 0.02 0.00 0.00 55.36 54.79 2gqh s GLN 64 Cb -0.15 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2gqh s GLN 64 CO 0.05 0.10 0.07 0.42 -2.12 0.00 0.00 175.29 173.81 2gqh s ILE 65 N 0.70 4.91 -0.21 1.08 1.09 -0.66 -1.67 121.20 126.44 2gqh s ILE 65 Ca -0.03 -0.00 -0.13 0.00 -1.10 0.00 0.00 60.65 59.39 2gqh s ILE 65 Cb -0.15 -3.17 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2gqh s ILE 65 CO 0.02 0.53 0.27 -1.00 -0.10 0.00 0.00 174.94 174.66 2gqh s HIS 66 N -0.28 3.36 -0.10 3.97 3.76 -1.19 -3.34 115.29 121.48 2gqh s HIS 66 Ca 0.09 0.43 -0.07 0.00 -0.15 0.00 0.00 55.06 55.36 2gqh s HIS 66 Cb -0.12 -2.37 0.03 0.00 1.11 0.00 0.00 32.58 31.23 2gqh s HIS 66 CO 0.01 0.08 0.14 0.41 -0.85 0.00 0.00 174.74 174.53 2gqh n GLY 67 N 3.97 -4.31 3.94 -2.22 0.00 -1.26 -5.00 105.19 100.32 2gqh n GLY 67 Ca -0.12 0.84 -0.24 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.37 4.05 0.00 0.99 1.43 -1.09 -4.91 118.68 118.78 2gqh s LEU 68 Ca -0.16 0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 2gqh s LEU 68 Cb 0.01 -3.30 0.08 0.00 0.03 0.00 0.00 46.19 43.02 2gqh s LEU 68 CO 0.44 -0.25 1.12 0.00 0.23 0.00 0.00 176.35 177.89 2gqh n ALA 69 N -1.59 -3.05 0.24 4.21 0.00 -1.26 -1.65 120.51 117.40 2gqh n ALA 69 Ca -0.05 -0.91 0.15 0.00 0.00 0.00 0.00 53.44 52.64 2gqh n ALA 69 Cb 0.56 0.38 0.82 0.00 0.00 0.00 0.00 19.45 21.20 2gqh n ALA 69 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2gqh h MET 70 N 0.00 0.00 0.00 0.00 2.86 -1.98 0.81 114.93 116.62 2gqh h MET 70 Ca -0.24 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2gqh h MET 70 Cb 1.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2gqh h MET 70 CO 0.33 0.00 -0.62 0.00 1.06 0.00 0.00 176.91 177.68 2gqh h ALA 71 N 2.01 0.72 -0.00 6.32 0.00 -1.99 -3.24 119.26 123.07 2gqh h ALA 71 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gqh h ALA 71 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2gqh h ALA 71 CO 0.00 0.15 -0.13 -0.25 0.00 0.00 0.00 179.25 179.03 2gqh n ASP 72 N -2.91 0.22 -4.68 0.00 9.92 0.27 -4.81 116.55 114.56 2gqh n ASP 72 Ca 0.01 -0.03 -0.43 0.00 -0.53 0.00 0.00 54.79 53.82 2gqh n ASP 72 Cb 0.59 -0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 40.84 2gqh n ASP 72 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2gqh s ASN 73 N -2.80 7.05 0.00 -2.24 0.01 -1.20 -4.86 114.94 110.91 2gqh s ASN 73 Ca 0.19 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 54.05 2gqh s ASN 73 Cb 0.19 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.30 2gqh s ASN 73 CO 0.54 -0.62 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 2gqh n GLY 74 N 3.39 -0.88 2.65 0.66 0.00 -1.26 -5.06 105.19 104.70 2gqh n GLY 74 Ca 0.11 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2gqh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gqh s VAL 75 N -3.31 0.03 0.10 1.61 0.11 -1.26 -3.46 120.40 114.22 2gqh s VAL 75 Ca 0.00 -0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.74 2gqh s VAL 75 Cb 0.00 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.23 2gqh s VAL 75 CO 0.00 -0.14 0.68 -0.31 -3.33 0.00 0.00 175.10 172.00 2gqh s TYR 76 N 2.09 3.83 0.08 1.54 1.51 -0.66 -3.20 117.35 122.53 2gqh s TYR 76 Ca 0.02 1.44 0.08 0.00 -1.01 0.00 0.00 57.07 57.61 2gqh s TYR 76 Cb -0.15 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2gqh s TYR 76 CO -0.07 0.50 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.52 2gqh s SER 77 N -0.92 2.70 -0.23 2.29 0.01 -0.68 -0.73 113.70 116.16 2gqh s SER 77 Ca 0.33 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 2gqh s SER 77 Cb -0.21 -0.19 0.06 0.00 0.21 0.00 0.00 66.02 65.89 2gqh s SER 77 CO 0.22 0.14 -0.03 0.00 0.41 0.00 0.00 173.24 173.98 2gqh s VAL 79 N 1.50 5.00 -0.03 0.00 1.01 -0.66 -2.62 120.40 124.61 2gqh s VAL 79 Ca -0.05 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2gqh s VAL 79 Cb -0.18 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 2gqh s VAL 79 CO -0.07 0.38 0.07 0.00 0.00 0.00 0.00 175.10 175.48 2gqh n GLY 81 N 2.43 -0.48 0.12 0.00 0.00 -1.26 -4.81 105.19 101.18 2gqh n GLY 81 Ca -0.04 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.62 2gqh n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2gqh n GLN 82 N 0.00 1.10 -4.06 1.61 0.00 -1.26 -4.81 117.38 109.96 2gqh n GLN 82 Ca 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.00 56.77 2gqh n GLN 82 Cb 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 30.24 29.07 2gqh n GLN 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2gqh s GLU 83 N -1.87 0.85 -0.28 3.69 4.04 -1.26 -5.17 118.70 118.70 2gqh s GLU 83 Ca 0.03 -1.26 -0.22 0.00 0.04 0.00 0.00 54.97 53.56 2gqh s GLU 83 Cb 0.01 0.27 0.11 0.00 0.02 0.00 0.00 34.13 34.54 2gqh s GLU 83 CO 0.02 -0.24 0.88 -0.98 -1.84 0.00 0.00 175.26 173.10 2gqh s ARG 84 N -3.97 0.61 0.41 -4.83 3.03 -1.26 -3.18 118.95 109.75 2gqh s ARG 84 Ca 0.15 0.83 0.08 0.00 2.03 0.00 0.00 55.73 58.82 2gqh s ARG 84 Cb 0.07 0.24 -0.03 0.00 -1.03 0.00 0.00 34.95 34.19 2gqh s ARG 84 CO -0.04 -0.09 0.29 -0.08 -1.13 0.00 0.00 175.30 174.25 2gqh s THR 85 N 0.74 2.60 -0.03 4.99 -1.32 -1.08 -4.93 115.64 116.61 2gqh s THR 85 Ca -0.02 -1.49 -0.06 0.00 -1.21 0.00 0.00 61.69 58.90 2gqh s THR 85 Cb -0.05 -3.01 0.01 0.00 -1.51 0.00 0.00 72.50 67.94 2gqh s THR 85 CO -0.08 -0.02 0.14 -0.94 -2.21 0.00 0.00 174.62 171.50 2gqh s SER 86 N -4.02 -0.06 0.20 8.08 1.04 -1.26 -1.81 113.70 115.88 2gqh s SER 86 Ca 0.45 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2gqh s SER 86 Cb -0.01 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 2gqh s SER 86 CO 0.26 -0.22 0.07 0.00 0.98 0.00 0.00 173.24 174.32 2gqh s ALA 87 N -0.71 1.37 -0.09 5.32 0.00 0.09 -4.77 121.76 122.97 2gqh s ALA 87 Ca -0.08 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.22 2gqh s ALA 87 Cb -0.05 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2gqh s ALA 87 CO 0.01 -0.45 -0.18 0.99 0.00 0.00 0.00 175.76 176.13 2gqh s THR 88 N -3.85 1.64 -0.19 0.00 2.01 -1.26 -1.66 115.64 112.32 2gqh s THR 88 Ca 0.32 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 2gqh s THR 88 Cb 0.07 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2gqh s THR 88 CO 0.09 0.47 0.05 -0.22 -0.69 0.00 0.00 174.62 174.32 2gqh s LEU 89 N 0.61 3.67 -0.27 4.42 2.96 -1.23 -2.15 118.68 126.69 2gqh s LEU 89 Ca -0.14 -0.00 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2gqh s LEU 89 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2gqh s LEU 89 CO 0.04 0.13 0.16 -0.89 -1.32 0.00 0.00 176.35 174.47 2gqh s THR 90 N 0.62 4.99 -0.24 3.68 2.01 -0.76 -4.16 115.64 121.79 2gqh s THR 90 Ca 0.03 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2gqh s THR 90 Cb -0.13 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2gqh s THR 90 CO 0.02 0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.41 2gqh s VAL 91 N 1.71 1.91 -0.13 3.82 1.01 -1.25 -0.95 120.40 126.52 2gqh s VAL 91 Ca 0.07 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 2gqh s VAL 91 Cb -0.16 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2gqh s VAL 91 CO 0.09 0.03 0.36 -0.13 0.00 0.00 0.00 175.10 175.44 2gqh s ARG 92 N 1.24 4.23 0.30 2.72 0.52 -1.15 -4.78 118.95 122.02 2gqh s ARG 92 Ca -0.06 0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 55.09 2gqh s ARG 92 Cb -0.19 -3.40 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 2gqh s ARG 92 CO -0.06 0.27 1.36 0.00 0.02 0.00 0.00 175.30 176.89 2gqh s ALA 93 N 0.34 3.55 0.45 2.13 0.00 -1.26 0.37 121.76 127.33 2gqh s ALA 93 Ca 0.20 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 2gqh s ALA 93 Cb -0.14 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 2gqh s ALA 93 CO 0.07 -0.69 1.31 -0.51 0.00 0.00 0.00 175.76 175.93 2gqh s LEU 94 N -1.21 4.10 0.21 0.00 1.43 -1.26 -4.85 118.68 117.10 2gqh s LEU 94 Ca 0.53 2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 55.99 2gqh s LEU 94 Cb -0.41 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 2gqh s LEU 94 CO 0.49 -1.03 1.29 -2.16 0.23 0.00 0.00 176.35 175.17 2gqh s PRO 95 N -2.46 4.40 -0.05 1.29 0.04 -1.26 -4.95 135.00 132.01 2gqh s PRO 95 Ca 0.61 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 2gqh s PRO 95 Cb -0.38 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 2gqh s PRO 95 CO 0.47 -0.22 1.72 0.00 0.04 0.00 0.00 177.00 179.01 2gqh s ALA 96 N -0.03 3.59 -0.30 8.56 0.00 -1.26 -4.95 121.76 127.36 2gqh s ALA 96 Ca 0.55 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 53.41 2gqh s ALA 96 Cb -0.36 -3.77 0.16 0.00 0.00 0.00 0.00 23.12 19.15 2gqh s ALA 96 CO 0.39 -1.47 0.78 0.50 0.00 0.00 0.00 175.76 175.96 2gqh s ARG 97 N 4.17 0.45 -0.51 0.00 3.52 -1.26 -5.11 118.95 120.20 2gqh s ARG 97 Ca 0.76 0.99 0.04 0.00 -0.13 0.00 0.00 55.73 57.39 2gqh s ARG 97 Cb -0.35 0.58 0.13 0.00 -1.56 0.00 0.00 34.95 33.75 2gqh s ARG 97 CO 0.32 -0.30 0.26 0.12 -0.81 0.00 0.00 175.30 174.88 2gqh s PHE 98 N 2.79 3.23 -0.02 5.12 5.36 -1.26 -5.07 117.98 128.13 2gqh s PHE 98 Ca 0.04 -3.14 -0.01 0.00 -0.96 0.00 0.00 56.93 52.85 2gqh s PHE 98 Cb -0.11 -2.85 0.01 0.00 -0.34 0.00 0.00 43.02 39.73 2gqh s PHE 98 CO -0.18 -0.76 0.04 0.42 -1.46 0.00 0.00 175.22 173.28 2gqh s ILE 99 N -0.21 -0.01 0.20 3.12 1.01 -1.26 -5.05 121.20 119.00 2gqh s ILE 99 Ca 0.17 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 2gqh s ILE 99 Cb -0.25 -0.07 0.18 0.00 0.01 0.00 0.00 42.46 42.33 2gqh s ILE 99 CO -0.01 0.02 1.59 -0.08 0.00 0.00 0.00 174.94 176.47 2gqh h GLU 100 N 6.38 -0.10 -5.34 2.79 4.57 -2.08 -3.45 114.58 117.34 2gqh h GLU 100 Ca -0.29 0.01 -0.35 0.00 -1.18 0.00 0.00 59.36 57.55 2gqh h GLU 100 Cb 1.19 0.02 0.13 0.00 -0.16 0.00 0.00 28.75 29.93 2gqh h GLU 100 CO 0.48 -0.07 -0.63 -0.25 -1.18 0.00 0.00 179.01 177.37 2gqh n ASP 101 N -5.45 -5.09 -4.70 1.04 8.00 -1.26 -4.98 116.55 104.10 2gqh n ASP 101 Ca 0.06 -0.50 -0.36 0.00 0.71 0.00 0.00 54.79 54.70 2gqh n ASP 101 Cb 0.36 -4.60 -0.08 0.00 -0.02 0.00 0.00 41.12 36.78 2gqh n ASP 101 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2gqh s SER 102 N -3.49 6.29 0.00 -2.24 1.04 -1.26 -4.86 113.70 109.18 2gqh s SER 102 Ca 0.41 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2gqh s SER 102 Cb -0.18 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2gqh s SER 102 CO 0.66 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.57 2gqh n GLY 103 N 3.72 1.24 3.60 7.32 0.00 -1.26 -5.07 105.19 114.73 2gqh n GLY 103 Ca -0.13 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 3.36 0.69 1.61 0.04 -1.26 -5.00 135.00 134.44 2gqh s PRO 104 Ca 0.00 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 2gqh s PRO 104 Cb 0.00 -4.16 0.08 0.00 0.04 0.00 0.00 34.50 30.45 2gqh s PRO 104 CO 0.00 -1.82 0.97 0.45 0.04 0.00 0.00 177.00 176.64 2gqh s SER 105 N 5.64 4.73 -0.02 6.66 0.15 -1.26 -5.05 113.70 124.55 2gqh s SER 105 Ca 0.75 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 2gqh s SER 105 Cb -0.20 -0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 63.31 2gqh s SER 105 CO 0.33 -1.61 -0.02 -1.54 1.20 0.00 0.00 173.24 171.60 2gqh n SER 106 N -2.81 0.60 0.00 5.45 3.41 -1.26 -5.32 113.62 113.69 2gqh n SER 106 Ca 0.10 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2gqh n SER 106 Cb 0.60 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2gqh n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49