#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 2.00 -0.20 1.61 1.04 -1.26 -5.15 113.70 111.74 2gqh s SER 2 Ca 0.00 -0.73 -0.12 0.00 0.48 0.00 0.00 55.95 55.58 2gqh s SER 2 Cb 0.00 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.11 2gqh s SER 2 CO 0.00 -0.09 0.50 -0.94 0.98 0.00 0.00 173.24 173.69 2gqh s SER 3 N -2.15 -0.63 0.00 7.02 1.04 -1.26 -5.13 113.70 112.59 2gqh s SER 3 Ca 0.05 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2gqh s SER 3 Cb -0.07 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2gqh s SER 3 CO 0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2gqh n GLY 4 N 4.06 0.36 3.45 7.32 0.00 -1.26 -4.94 105.19 114.17 2gqh n GLY 4 Ca -0.21 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2gqh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gqh s SER 5 N -4.00 6.30 0.54 1.61 0.15 -1.26 -5.02 113.70 112.02 2gqh s SER 5 Ca 0.00 -1.31 0.09 0.00 0.70 0.00 0.00 55.95 55.43 2gqh s SER 5 Cb 0.00 -2.41 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 2gqh s SER 5 CO 0.00 -1.33 0.74 -0.44 1.20 0.00 0.00 173.24 173.41 2gqh s SER 6 N 3.70 5.23 0.00 5.45 0.01 -1.26 -5.10 113.70 121.74 2gqh s SER 6 Ca 0.25 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2gqh s SER 6 Cb -0.14 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2gqh s SER 6 CO 0.04 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.10 2gqh n GLY 7 N -2.15 1.44 3.16 3.44 0.00 -1.26 -4.98 105.19 104.84 2gqh n GLY 7 Ca 0.14 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.56 0.95 -0.02 4.61 0.00 -1.22 -4.97 121.76 119.54 2gqh s ALA 8 Ca 0.00 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.48 2gqh s ALA 8 Cb 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 2gqh s ALA 8 CO 0.00 -0.51 -0.19 -0.98 0.00 0.00 0.00 175.76 174.08 2gqh s ARG 9 N -4.08 1.59 -1.00 0.00 1.70 -1.26 -4.21 118.95 111.69 2gqh s ARG 9 Ca 0.28 -0.68 -0.23 0.00 -0.47 0.00 0.00 55.73 54.62 2gqh s ARG 9 Cb 0.07 -1.52 -0.02 0.00 -0.57 0.00 0.00 34.95 32.91 2gqh s ARG 9 CO 0.04 0.40 1.80 -0.06 -1.08 0.00 0.00 175.30 176.41 2gqh s PHE 10 N -0.41 2.08 -0.03 5.89 0.08 -1.26 -2.34 117.98 122.00 2gqh s PHE 10 Ca 0.06 0.07 0.18 0.00 0.12 0.00 0.00 56.93 57.37 2gqh s PHE 10 Cb -0.08 -4.26 0.43 0.00 -0.57 0.00 0.00 43.02 38.54 2gqh s PHE 10 CO -0.00 -1.72 1.61 0.00 -0.10 0.00 0.00 175.22 175.00 2gqh h THR 11 N 6.87 0.75 0.00 0.64 1.03 -1.91 -3.32 112.91 116.97 2gqh h THR 11 Ca 0.16 -1.74 -0.38 0.00 -0.01 0.00 0.00 66.41 64.45 2gqh h THR 11 Cb 0.99 2.13 -0.07 0.00 -1.07 0.00 0.00 68.15 70.13 2gqh h THR 11 CO 1.29 0.37 -2.44 1.21 -0.01 0.00 0.00 175.52 175.94 2gqh n GLU 12 N -3.32 0.63 -0.44 0.00 2.13 -1.24 -5.07 120.64 113.33 2gqh n GLU 12 Ca 0.01 0.15 0.06 0.00 0.66 0.00 0.00 57.16 58.04 2gqh n GLU 12 Cb 0.60 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.79 2gqh n GLU 12 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gqh n GLY 13 N 2.24 -2.00 3.84 8.31 0.00 -1.25 -4.89 105.19 111.44 2gqh n GLY 13 Ca -0.45 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 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 -5.20 4.44 0.06 0.99 1.43 -1.26 -4.53 118.68 114.60 2gqh s LEU 14 Ca 0.00 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 2gqh s LEU 14 Cb 0.00 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2gqh s LEU 14 CO 0.00 0.33 0.05 -0.13 0.23 0.00 0.00 176.35 176.83 2gqh s ARG 15 N -0.96 2.81 0.70 1.70 0.52 -1.26 -4.86 118.95 117.60 2gqh s ARG 15 Ca 0.21 -0.69 -0.17 0.00 -0.52 0.00 0.00 55.73 54.57 2gqh s ARG 15 Cb -0.15 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.57 2gqh s ARG 15 CO 0.10 0.58 0.43 0.27 0.02 0.00 0.00 175.30 176.70 2gqh n ASN 16 N 0.73 -1.53 -4.09 0.23 0.23 -1.26 -4.86 115.26 104.71 2gqh n ASN 16 Ca -0.11 0.60 -0.12 0.00 -0.53 0.00 0.00 54.58 54.42 2gqh n ASN 16 Cb 0.52 -1.17 -0.11 0.00 -2.08 0.00 0.00 39.78 36.94 2gqh n ASN 16 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2gqh s GLU 17 N -2.51 0.60 -0.06 -3.83 2.56 -1.16 -5.03 118.70 109.27 2gqh s GLU 17 Ca 0.64 -0.91 -0.02 0.00 0.00 0.00 0.00 54.97 54.68 2gqh s GLU 17 Cb -0.37 -0.24 0.04 0.00 2.00 0.00 0.00 34.13 35.56 2gqh s GLU 17 CO 0.59 0.02 0.12 -1.21 -0.56 0.00 0.00 175.26 174.22 2gqh s GLU 18 N -2.22 0.06 0.23 4.30 2.02 -1.26 -2.04 118.70 119.80 2gqh s GLU 18 Ca -0.04 0.34 -0.09 0.00 0.02 0.00 0.00 54.97 55.20 2gqh s GLU 18 Cb -0.06 -0.20 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 2gqh s GLU 18 CO -0.01 -0.17 0.37 0.00 0.02 0.00 0.00 175.26 175.46 2gqh s ALA 19 N 1.18 0.24 0.23 5.21 0.00 0.30 -4.96 121.76 123.95 2gqh s ALA 19 Ca -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 2gqh s ALA 19 Cb -0.12 1.18 -0.05 0.00 0.00 0.00 0.00 23.12 24.13 2gqh s ALA 19 CO -0.05 -0.77 0.46 -1.64 0.00 0.00 0.00 175.76 173.76 2gqh s MET 20 N -4.04 3.60 0.20 0.00 -1.94 -1.26 -1.40 119.30 114.46 2gqh s MET 20 Ca 0.28 -0.11 -0.33 0.00 -1.71 0.00 0.00 55.69 53.82 2gqh s MET 20 Cb 0.02 -2.75 -0.14 0.00 2.01 0.00 0.00 34.83 33.97 2gqh s MET 20 CO 0.10 0.33 1.52 -1.91 -0.01 0.00 0.00 175.02 175.06 2gqh n GLU 21 N -0.59 2.14 0.00 2.03 2.13 0.72 -0.97 120.64 126.09 2gqh n GLU 21 Ca -0.03 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.56 2gqh n GLU 21 Cb 0.53 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.74 2gqh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gqh n GLY 22 N 2.92 3.03 3.58 8.31 0.00 0.25 -4.72 105.19 118.57 2gqh n GLY 22 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.63 0.46 -0.32 4.61 0.00 -0.15 -2.86 121.76 121.88 2gqh s ALA 23 Ca 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2gqh s ALA 23 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2gqh s ALA 23 CO 0.00 -3.49 0.19 0.99 0.00 0.00 0.00 175.76 173.45 2gqh s THR 24 N -2.88 4.87 0.52 0.00 2.01 -1.26 -1.19 115.64 117.72 2gqh s THR 24 Ca 0.69 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2gqh s THR 24 Cb -0.14 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2gqh s THR 24 CO 0.58 0.03 1.01 0.00 -0.69 0.00 0.00 174.62 175.54 2gqh s ALA 25 N 1.66 2.96 -0.12 7.40 0.00 -0.60 -4.83 121.76 128.23 2gqh s ALA 25 Ca 0.05 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 2gqh s ALA 25 Cb -0.17 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2gqh s ALA 25 CO 0.08 -0.35 0.26 0.99 0.00 0.00 0.00 175.76 176.74 2gqh s THR 26 N -2.45 -0.23 0.37 0.00 2.01 -1.26 -0.27 115.64 113.81 2gqh s THR 26 Ca 0.61 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.91 2gqh s THR 26 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 2gqh s THR 26 CO 0.29 0.09 0.16 -0.76 -0.69 0.00 0.00 174.62 173.71 2gqh s LEU 27 N 1.84 3.20 -0.03 4.42 1.43 -0.62 -4.98 118.68 123.95 2gqh s LEU 27 Ca -0.04 -0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 52.10 2gqh s LEU 27 Cb -0.11 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.49 2gqh s LEU 27 CO -0.09 -0.39 0.17 -1.58 0.23 0.00 0.00 176.35 174.70 2gqh s GLN 28 N -3.87 0.40 -0.29 1.70 0.74 -1.26 -3.16 119.66 113.92 2gqh s GLN 28 Ca 0.39 -0.12 -0.18 0.00 0.05 0.00 0.00 55.36 55.50 2gqh s GLN 28 Cb -0.00 0.17 0.14 0.00 1.10 0.00 0.00 33.01 34.41 2gqh s GLN 28 CO 0.23 -0.09 0.97 0.00 -0.55 0.00 0.00 175.29 175.85 2gqh s GLU 30 N 1.12 2.63 0.12 0.00 2.12 -1.26 -0.65 118.70 122.79 2gqh s GLU 30 Ca -0.06 -1.19 0.07 0.00 0.36 0.00 0.00 54.97 54.15 2gqh s GLU 30 Cb -0.04 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 2gqh s GLU 30 CO -0.13 0.40 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.31 2gqh s LEU 31 N -3.63 2.38 0.62 2.70 1.43 -0.46 -3.59 118.68 118.13 2gqh s LEU 31 Ca 0.32 -0.78 0.28 0.00 -1.03 0.00 0.00 54.13 52.91 2gqh s LEU 31 Cb -0.08 -0.68 1.44 0.00 0.03 0.00 0.00 46.19 46.91 2gqh s LEU 31 CO 0.22 -0.07 1.84 0.77 0.23 0.00 0.00 176.35 179.34 2gqh h SER 32 N 3.62 0.00 -3.85 2.29 4.64 -1.81 -3.42 113.55 115.02 2gqh h SER 32 Ca -0.42 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.00 2gqh h SER 32 Cb 1.20 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 2gqh h SER 32 CO 0.48 0.00 0.59 -1.59 -0.87 0.00 0.00 176.83 175.43 2gqh s LYS 33 N -4.37 0.51 -0.21 4.77 -2.85 -1.26 -5.04 119.74 111.29 2gqh s LYS 33 Ca -0.04 0.18 -0.42 0.00 -1.00 0.00 0.00 55.97 54.70 2gqh s LYS 33 Cb 0.12 0.24 -0.19 0.00 -2.06 0.00 0.00 37.83 35.95 2gqh s LYS 33 CO 0.41 -0.15 1.42 0.00 0.10 0.00 0.00 175.35 177.13 2gqh n ALA 34 N 0.90 -1.82 -3.46 0.59 0.00 -1.26 -4.84 120.51 110.61 2gqh n ALA 34 Ca -0.09 0.51 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 2gqh n ALA 34 Cb 0.58 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 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 1.76 -1.65 -0.06 0.00 0.00 -1.26 -4.98 121.76 115.57 2gqh s ALA 35 Ca 0.96 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.64 2gqh s ALA 35 Cb -1.27 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2gqh s ALA 35 CO 0.66 -0.47 1.50 -1.25 0.00 0.00 0.00 175.76 176.19 2gqh s PRO 36 N -1.93 4.22 0.56 0.00 0.04 -1.26 -5.02 135.00 131.61 2gqh s PRO 36 Ca -0.08 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2gqh s PRO 36 Cb -0.00 -3.81 0.05 0.00 0.04 0.00 0.00 34.50 30.78 2gqh s PRO 36 CO 0.03 -0.74 0.45 0.14 0.04 0.00 0.00 177.00 176.93 2gqh s VAL 37 N 3.40 1.65 -0.28 -0.36 -7.23 -1.26 -4.24 120.40 112.08 2gqh s VAL 37 Ca 0.67 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2gqh s VAL 37 Cb -0.30 -2.09 0.11 0.00 0.56 0.00 0.00 36.38 34.65 2gqh s VAL 37 CO 0.25 0.00 0.64 -0.70 -0.31 0.00 0.00 175.10 174.98 2gqh s GLU 38 N -4.34 0.60 0.18 4.82 2.56 -0.26 -4.97 118.70 117.30 2gqh s GLU 38 Ca 0.36 1.33 -0.06 0.00 0.00 0.00 0.00 54.97 56.60 2gqh s GLU 38 Cb -0.03 0.56 -0.06 0.00 2.00 0.00 0.00 34.13 36.60 2gqh s GLU 38 CO 0.23 -0.19 0.44 -1.58 -0.56 0.00 0.00 175.26 173.60 2gqh s TRP 39 N 2.40 3.46 -0.12 5.30 0.52 -1.26 -0.50 118.94 128.74 2gqh s TRP 39 Ca -0.07 0.62 -0.04 0.00 0.02 0.00 0.00 56.10 56.63 2gqh s TRP 39 Cb -0.09 -2.06 0.06 0.00 -1.15 0.00 0.00 33.47 30.22 2gqh s TRP 39 CO -0.19 0.36 0.23 1.03 0.02 0.00 0.00 176.95 178.41 2gqh s ARG 40 N -2.84 0.12 -0.33 4.98 0.52 -0.47 -3.07 118.95 117.85 2gqh s ARG 40 Ca 0.43 0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 56.22 2gqh s ARG 40 Cb -0.12 -0.10 -0.00 0.00 0.52 0.00 0.00 34.95 35.25 2gqh s ARG 40 CO 0.25 -0.29 0.18 0.21 0.02 0.00 0.00 175.30 175.67 2gqh s LYS 41 N 2.37 3.27 -1.03 3.54 2.20 -1.03 -2.00 119.74 127.06 2gqh s LYS 41 Ca 0.02 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2gqh s LYS 41 Cb -0.12 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2gqh s LYS 41 CO -0.08 -0.48 0.87 0.41 -0.36 0.00 0.00 175.35 175.71 2gqh n GLY 42 N 5.01 -0.25 3.70 5.54 0.00 -1.26 -2.78 105.19 115.16 2gqh n GLY 42 Ca -0.13 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.75 -3.14 -4.10 0.99 4.32 -1.26 -4.99 117.00 105.07 2gqh n LEU 43 Ca -0.20 -0.64 -0.17 0.00 -0.02 0.00 0.00 56.01 54.98 2gqh n LEU 43 Cb 0.63 -2.86 -0.13 0.00 -1.62 0.00 0.00 43.42 39.44 2gqh n LEU 43 CO 0.52 0.56 -0.44 -0.70 -1.22 0.00 0.00 177.39 176.11 2gqh s GLU 44 N -6.34 0.74 -0.39 3.23 2.12 -1.12 -5.11 118.70 111.82 2gqh s GLU 44 Ca 0.55 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.88 2gqh s GLU 44 Cb -0.25 -0.68 0.02 0.00 0.26 0.00 0.00 34.13 33.48 2gqh s GLU 44 CO 0.77 0.16 0.97 0.00 -0.54 0.00 0.00 175.26 176.62 2gqh s ALA 45 N -1.00 3.35 0.81 6.30 0.00 -1.26 -2.46 121.76 127.51 2gqh s ALA 45 Ca -0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2gqh s ALA 45 Cb -0.08 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.50 2gqh s ALA 45 CO 0.01 -1.76 1.14 -0.51 0.00 0.00 0.00 175.76 174.64 2gqh s LEU 46 N 3.68 2.47 -0.09 0.00 1.43 -1.18 -4.99 118.68 120.01 2gqh s LEU 46 Ca 0.40 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 2gqh s LEU 46 Cb -0.11 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.66 2gqh s LEU 46 CO 0.21 -1.96 0.20 -0.13 0.23 0.00 0.00 176.35 174.91 2gqh s ARG 47 N -5.41 0.17 0.45 1.70 0.52 -1.26 -4.94 118.95 110.18 2gqh s ARG 47 Ca 0.62 0.44 -0.23 0.00 -0.52 0.00 0.00 55.73 56.04 2gqh s ARG 47 Cb -0.12 -0.12 -0.08 0.00 0.52 0.00 0.00 34.95 35.15 2gqh s ARG 47 CO 0.51 -0.15 1.12 0.34 0.02 0.00 0.00 175.30 177.14 2gqh s ASP 48 N 1.10 6.33 0.00 0.23 2.15 -1.26 -4.54 116.67 120.68 2gqh s ASP 48 Ca -0.08 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.09 2gqh s ASP 48 Cb -0.10 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2gqh s ASP 48 CO -0.07 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 2gqh n GLY 49 N 0.35 -1.37 0.33 2.66 0.00 -1.18 -4.98 105.19 100.99 2gqh n GLY 49 Ca 0.07 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 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 2.16 -0.07 1.61 9.92 -1.26 -4.71 116.55 124.20 2gqh n ASP 50 Ca 0.00 0.02 -0.09 0.00 -0.53 0.00 0.00 54.79 54.20 2gqh n ASP 50 Cb 0.00 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.27 2gqh n ASP 50 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2gqh h LYS 51 N -0.15 0.26 -6.61 -1.24 3.11 -1.92 -3.44 116.57 106.59 2gqh h LYS 51 Ca -0.22 -0.02 -0.66 0.00 -2.81 0.00 0.00 60.65 56.95 2gqh h LYS 51 Cb 1.26 -0.06 -0.17 0.00 -1.00 0.00 0.00 32.23 32.27 2gqh h LYS 51 CO -0.08 0.17 -0.78 0.71 -2.81 0.00 0.00 179.45 176.66 2gqh s TYR 52 N -6.17 2.54 -0.45 1.91 1.51 -1.26 -1.90 117.35 113.53 2gqh s TYR 52 Ca -0.13 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2gqh s TYR 52 Cb 0.10 -1.29 0.12 0.00 -0.11 0.00 0.00 41.96 40.77 2gqh s TYR 52 CO 0.70 0.45 0.19 0.45 -1.11 0.00 0.00 175.55 176.23 2gqh s SER 53 N -2.47 4.37 -0.85 2.29 0.15 0.41 -3.11 113.70 114.49 2gqh s SER 53 Ca 0.21 -2.66 -0.25 0.00 0.70 0.00 0.00 55.95 53.95 2gqh s SER 53 Cb -0.10 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.71 2gqh s SER 53 CO 0.12 -0.29 1.36 -0.76 1.20 0.00 0.00 173.24 174.88 2gqh s LEU 54 N 0.22 3.30 -0.51 3.45 2.01 -1.26 -1.69 118.68 124.20 2gqh s LEU 54 Ca 0.15 -0.84 -0.15 0.00 0.01 0.00 0.00 54.13 53.30 2gqh s LEU 54 Cb -0.23 -2.56 0.11 0.00 0.01 0.00 0.00 46.19 43.52 2gqh s LEU 54 CO -0.04 -1.72 0.45 -0.60 1.01 0.00 0.00 176.35 175.45 2gqh s ARG 55 N 5.47 2.92 -0.20 1.70 3.52 0.16 -4.97 118.95 127.55 2gqh s ARG 55 Ca 0.40 -1.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.32 2gqh s ARG 55 Cb -0.05 -4.20 -0.03 0.00 -1.56 0.00 0.00 34.95 29.11 2gqh s ARG 55 CO 0.05 -1.23 0.03 -0.65 -0.81 0.00 0.00 175.30 172.69 2gqh s GLN 56 N 1.58 3.75 -0.62 5.12 -0.21 -1.26 -0.50 119.66 127.52 2gqh s GLN 56 Ca 0.04 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.01 2gqh s GLN 56 Cb -0.28 -3.16 0.17 0.00 1.00 0.00 0.00 33.01 30.74 2gqh s GLN 56 CO 0.03 0.09 0.45 0.16 -2.12 0.00 0.00 175.29 173.90 2gqh s ASP 57 N 0.84 3.97 0.60 5.90 -4.77 -0.20 -5.02 116.67 117.99 2gqh s ASP 57 Ca 0.02 -3.62 0.00 0.00 -3.30 0.00 0.00 52.55 45.65 2gqh s ASP 57 Cb -0.14 -1.33 0.00 0.00 -1.09 0.00 0.00 42.92 40.36 2gqh s ASP 57 CO 0.02 -0.11 0.00 0.61 0.70 0.00 0.00 175.17 176.39 2gqh n GLY 58 N 2.24 1.84 0.02 2.12 0.00 -1.26 -2.89 105.19 107.27 2gqh n GLY 58 Ca 0.22 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 5.79 4.29 -2.50 4.61 0.00 -1.26 -4.37 120.51 127.07 2gqh n ALA 59 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2gqh n ALA 59 Cb 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.66 5.27 0.05 0.00 1.01 -1.14 -1.35 120.40 121.57 2gqh s VAL 60 Ca 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2gqh s VAL 60 Cb 0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2gqh s VAL 60 CO 0.72 -0.14 0.25 0.00 0.00 0.00 0.00 175.10 175.93 2gqh s GLU 62 N -2.23 0.11 -0.13 0.00 2.12 0.34 -2.26 118.70 116.66 2gqh s GLU 62 Ca 0.33 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2gqh s GLU 62 Cb -0.13 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.23 2gqh s GLU 62 CO 0.22 -0.09 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.53 2gqh s LEU 63 N 0.61 1.74 -0.22 2.70 2.96 -1.19 0.37 118.68 125.65 2gqh s LEU 63 Ca -0.04 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 2gqh s LEU 63 Cb -0.06 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 2gqh s LEU 63 CO -0.03 -0.02 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.39 2gqh s GLN 64 N 1.24 3.46 -0.34 1.98 0.74 -0.68 -1.58 119.66 124.49 2gqh s GLN 64 Ca -0.00 -0.58 -0.15 0.00 0.05 0.00 0.00 55.36 54.68 2gqh s GLN 64 Cb -0.14 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 2gqh s GLN 64 CO -0.07 -0.15 0.33 0.42 -0.55 0.00 0.00 175.29 175.27 2gqh s ILE 65 N 1.40 5.20 -0.12 -2.34 1.01 0.62 -0.44 121.20 126.53 2gqh s ILE 65 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.47 2gqh s ILE 65 Cb -0.14 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2gqh s ILE 65 CO -0.01 -0.06 0.69 -1.00 0.00 0.00 0.00 174.94 174.56 2gqh s HIS 66 N 1.95 3.49 -0.01 3.97 3.76 -0.80 -1.56 115.29 126.09 2gqh s HIS 66 Ca 0.10 1.15 -0.00 0.00 -0.15 0.00 0.00 55.06 56.16 2gqh s HIS 66 Cb -0.17 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.70 2gqh s HIS 66 CO 0.11 -0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 2gqh n GLY 67 N 3.36 -2.86 3.90 -2.22 0.00 -1.25 -4.92 105.19 101.20 2gqh n GLY 67 Ca -0.01 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.03 3.95 -0.03 0.99 1.43 -0.33 -4.85 118.68 119.81 2gqh s LEU 68 Ca -0.00 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 2gqh s LEU 68 Cb 0.00 -3.68 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2gqh s LEU 68 CO 0.02 -0.30 1.02 0.00 0.23 0.00 0.00 176.35 177.32 2gqh s ALA 69 N -2.25 -1.90 0.44 4.21 0.00 -1.26 0.87 121.76 121.88 2gqh s ALA 69 Ca 0.46 1.01 0.27 0.00 0.00 0.00 0.00 51.96 53.70 2gqh s ALA 69 Cb -0.10 0.30 1.32 0.00 0.00 0.00 0.00 23.12 24.63 2gqh s ALA 69 CO 0.32 -0.75 1.72 0.52 0.00 0.00 0.00 175.76 177.58 2gqh h MET 70 N 2.00 0.20 -0.58 0.00 2.86 -1.97 0.75 114.93 118.18 2gqh h MET 70 Ca -0.20 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2gqh h MET 70 Cb 1.22 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 2gqh h MET 70 CO 0.28 0.13 0.23 0.00 1.06 0.00 0.00 176.91 178.61 2gqh h ALA 71 N 1.55 1.31 -0.00 6.32 0.00 -2.00 -2.06 119.26 124.38 2gqh h ALA 71 Ca 0.68 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.38 2gqh h ALA 71 Cb 2.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2gqh h ALA 71 CO -0.27 0.51 -0.26 -0.44 0.00 0.00 0.00 179.25 178.79 2gqh h ASP 72 N 0.84 0.00 -1.57 0.00 5.19 0.13 -3.43 116.42 117.58 2gqh h ASP 72 Ca 0.20 -0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.92 2gqh h ASP 72 Cb 0.17 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.69 2gqh h ASP 72 CO -0.02 0.26 1.06 0.59 -3.12 0.00 0.00 179.24 178.02 2gqh n ASN 73 N -4.23 2.62 0.00 6.45 4.13 -0.78 -4.82 115.26 118.63 2gqh n ASN 73 Ca -0.02 0.91 0.00 0.00 1.68 0.00 0.00 54.58 57.15 2gqh n ASN 73 Cb 0.31 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.33 2gqh n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gqh n GLY 74 N 4.76 -1.33 3.23 7.41 0.00 -1.25 -5.06 105.19 112.94 2gqh n GLY 74 Ca 0.29 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.80 4.43 0.98 1.61 1.01 -1.26 -2.18 120.40 122.19 2gqh s VAL 75 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 2gqh s VAL 75 Cb 0.00 -3.90 0.18 0.00 0.00 0.00 0.00 36.38 32.66 2gqh s VAL 75 CO 0.00 -0.80 1.09 -0.31 0.00 0.00 0.00 175.10 175.08 2gqh s TYR 76 N 1.40 2.12 0.06 5.22 1.51 0.40 -4.30 117.35 123.75 2gqh s TYR 76 Ca 0.05 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.08 2gqh s TYR 76 Cb -0.27 -3.23 0.01 0.00 -0.11 0.00 0.00 41.96 38.37 2gqh s TYR 76 CO -0.00 -2.81 0.27 -1.54 -1.11 0.00 0.00 175.55 170.36 2gqh s SER 77 N -3.39 -0.05 -0.21 2.29 1.04 -0.85 -1.39 113.70 111.15 2gqh s SER 77 Ca 0.65 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 2gqh s SER 77 Cb -0.19 0.35 0.10 0.00 0.10 0.00 0.00 66.02 66.38 2gqh s SER 77 CO 0.58 -0.66 0.23 0.00 0.98 0.00 0.00 173.24 174.37 2gqh s VAL 79 N 2.34 5.28 -0.62 0.00 1.01 0.35 -1.87 120.40 126.89 2gqh s VAL 79 Ca 0.07 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2gqh s VAL 79 Cb -0.16 -3.60 0.41 0.00 0.00 0.00 0.00 36.38 33.03 2gqh s VAL 79 CO -0.13 0.26 1.65 0.00 0.00 0.00 0.00 175.10 176.88 2gqh n GLY 81 N -0.62 2.00 0.79 0.00 0.00 -1.26 -3.45 105.19 102.64 2gqh n GLY 81 Ca 0.50 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 2gqh n GLY 81 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gqh n GLN 82 N 0.00 0.04 -2.01 1.61 1.13 -1.26 -5.02 117.38 111.88 2gqh n GLN 82 Ca 0.00 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 2gqh n GLN 82 Cb 0.00 -0.31 -0.03 0.00 0.11 0.00 0.00 30.24 30.01 2gqh n GLN 82 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2gqh s GLU 83 N -1.39 4.24 -0.19 -1.09 0.41 -1.26 -5.00 118.70 114.43 2gqh s GLU 83 Ca -0.02 2.27 -0.00 0.00 -0.41 0.00 0.00 54.97 56.80 2gqh s GLU 83 Cb 0.00 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.10 2gqh s GLU 83 CO 0.03 -0.58 -0.15 0.50 -0.49 0.00 0.00 175.26 174.57 2gqh s ARG 84 N 1.40 3.13 0.09 1.61 3.52 -1.26 -2.47 118.95 124.97 2gqh s ARG 84 Ca 0.69 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2gqh s ARG 84 Cb -0.41 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2gqh s ARG 84 CO 0.31 -0.16 0.08 -0.08 -0.81 0.00 0.00 175.30 174.63 2gqh s THR 85 N 1.25 4.48 0.11 4.11 -1.32 -0.78 -4.95 115.64 118.54 2gqh s THR 85 Ca 0.03 -0.81 0.03 0.00 -1.21 0.00 0.00 61.69 59.73 2gqh s THR 85 Cb -0.14 -3.17 -0.04 0.00 -1.51 0.00 0.00 72.50 67.65 2gqh s THR 85 CO -0.08 0.11 -0.09 -0.55 -2.21 0.00 0.00 174.62 171.80 2gqh s SER 86 N -2.44 1.45 0.18 8.08 0.15 -1.26 -0.20 113.70 119.65 2gqh s SER 86 Ca 0.29 -0.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.88 2gqh s SER 86 Cb -0.12 0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2gqh s SER 86 CO 0.22 -0.34 0.41 0.00 1.20 0.00 0.00 173.24 174.73 2gqh s ALA 87 N -3.03 -0.53 -0.12 5.45 0.00 -0.49 -4.72 121.76 118.32 2gqh s ALA 87 Ca 0.10 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2gqh s ALA 87 Cb 0.01 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2gqh s ALA 87 CO -0.01 -0.72 -0.19 0.99 0.00 0.00 0.00 175.76 175.83 2gqh s THR 88 N -3.91 2.47 -0.17 0.00 2.01 -1.26 -0.46 115.64 114.32 2gqh s THR 88 Ca 0.12 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2gqh s THR 88 Cb 0.01 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2gqh s THR 88 CO -0.02 0.54 0.07 -0.22 -0.69 0.00 0.00 174.62 174.29 2gqh s LEU 89 N 0.50 3.87 -0.24 4.42 2.96 -0.93 -2.98 118.68 126.28 2gqh s LEU 89 Ca -0.13 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2gqh s LEU 89 Cb -0.17 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2gqh s LEU 89 CO 0.05 0.22 0.05 -0.89 -1.32 0.00 0.00 176.35 174.46 2gqh s THR 90 N 0.10 4.18 -0.45 3.68 2.01 -0.86 -3.97 115.64 120.32 2gqh s THR 90 Ca 0.05 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 2gqh s THR 90 Cb -0.12 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.57 2gqh s THR 90 CO 0.01 0.36 0.24 -0.69 -0.69 0.00 0.00 174.62 173.85 2gqh s VAL 91 N 1.51 3.36 -0.05 3.82 1.01 -1.25 -0.54 120.40 128.25 2gqh s VAL 91 Ca 0.06 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 2gqh s VAL 91 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2gqh s VAL 91 CO 0.03 -0.72 1.23 -0.13 0.00 0.00 0.00 175.10 175.50 2gqh s ARG 92 N 0.93 4.34 -0.03 2.72 0.52 -0.49 -4.64 118.95 122.30 2gqh s ARG 92 Ca 0.10 1.71 -0.30 0.00 -0.52 0.00 0.00 55.73 56.72 2gqh s ARG 92 Cb -0.22 -3.56 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 2gqh s ARG 92 CO -0.04 -0.47 1.62 0.00 0.02 0.00 0.00 175.30 176.43 2gqh s ALA 93 N 2.25 3.63 0.72 2.13 0.00 -1.26 -0.20 121.76 129.03 2gqh s ALA 93 Ca 0.57 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 2gqh s ALA 93 Cb -0.26 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2gqh s ALA 93 CO 0.22 -1.31 0.60 1.28 0.00 0.00 0.00 175.76 176.56 2gqh n LEU 94 N 6.74 1.27 -4.71 0.00 4.77 -1.26 -4.91 117.00 118.90 2gqh n LEU 94 Ca 0.17 0.60 -0.30 0.00 -0.03 0.00 0.00 56.01 56.45 2gqh n LEU 94 Cb 0.43 -1.25 0.15 0.00 -2.33 0.00 0.00 43.42 40.41 2gqh n LEU 94 CO 0.62 -2.93 0.66 -2.16 -1.33 0.00 0.00 177.39 172.25 2gqh s PRO 95 N -2.86 1.09 -0.28 3.23 0.04 -1.26 -5.08 135.00 129.89 2gqh s PRO 95 Ca 0.67 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 2gqh s PRO 95 Cb -0.35 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.50 2gqh s PRO 95 CO 0.57 -2.34 0.89 0.00 0.04 0.00 0.00 177.00 176.16 2gqh s ALA 96 N -2.94 -1.92 -0.11 8.56 0.00 -1.26 -5.16 121.76 118.93 2gqh s ALA 96 Ca 0.64 2.00 -0.04 0.00 0.00 0.00 0.00 51.96 54.56 2gqh s ALA 96 Cb -0.18 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.63 2gqh s ALA 96 CO 0.57 -0.29 0.22 0.50 0.00 0.00 0.00 175.76 176.76 2gqh s ARG 97 N 0.49 0.13 -0.32 0.00 3.52 -1.26 -5.12 118.95 116.38 2gqh s ARG 97 Ca 0.00 0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 55.95 2gqh s ARG 97 Cb -0.05 -0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2gqh s ARG 97 CO -0.05 -0.26 1.03 -0.59 -0.81 0.00 0.00 175.30 174.62 2gqh s PHE 98 N 2.05 3.15 -0.07 5.12 -0.71 -1.26 -5.00 117.98 121.26 2gqh s PHE 98 Ca -0.01 1.11 -0.23 0.00 -1.04 0.00 0.00 56.93 56.76 2gqh s PHE 98 Cb -0.12 -3.63 0.05 0.00 -1.21 0.00 0.00 43.02 38.11 2gqh s PHE 98 CO -0.08 -0.75 0.52 -1.50 -1.34 0.00 0.00 175.22 172.08 2gqh s ILE 99 N 3.55 0.02 -0.26 -4.49 2.07 -1.26 -5.08 121.20 115.76 2gqh s ILE 99 Ca 0.43 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.36 2gqh s ILE 99 Cb -0.12 -0.81 -0.11 0.00 0.13 0.00 0.00 42.46 41.54 2gqh s ILE 99 CO 0.15 -0.09 -0.34 1.21 -1.91 0.00 0.00 174.94 173.96 2gqh n GLU 100 N 1.42 0.55 -3.81 3.50 4.07 -1.26 -5.05 120.64 120.06 2gqh n GLU 100 Ca -0.19 0.24 -0.12 0.00 -0.06 0.00 0.00 57.16 57.03 2gqh n GLU 100 Cb 0.56 -1.43 -0.10 0.00 -0.06 0.00 0.00 31.44 30.41 2gqh n GLU 100 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2gqh s ASP 101 N -7.25 -0.12 0.22 4.31 2.15 -1.26 -5.04 116.67 109.69 2gqh s ASP 101 Ca -0.36 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 52.68 2gqh s ASP 101 Cb 0.13 0.32 0.48 0.00 -0.30 0.00 0.00 42.92 43.55 2gqh s ASP 101 CO 0.46 -0.32 1.15 -0.24 -0.17 0.00 0.00 175.17 176.05 2gqh n SER 102 N 1.78 -0.15 0.00 -0.34 2.88 -1.26 -4.77 113.62 111.75 2gqh n SER 102 Ca -0.20 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2gqh n SER 102 Cb 0.56 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2gqh n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gqh n GLY 103 N -1.40 4.11 3.62 0.46 0.00 -1.26 -5.10 105.19 105.62 2gqh n GLY 103 Ca 0.15 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.61 3.65 -0.44 1.61 0.04 -1.26 -4.97 135.00 131.03 2gqh s PRO 104 Ca 0.00 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 2gqh s PRO 104 Cb 0.00 -4.08 0.12 0.00 0.04 0.00 0.00 34.50 30.58 2gqh s PRO 104 CO 0.00 -1.47 0.21 -1.12 0.04 0.00 0.00 177.00 174.66 2gqh s SER 105 N 4.69 5.06 0.17 6.66 0.01 -1.26 -5.07 113.70 123.96 2gqh s SER 105 Ca 0.73 -2.27 -0.06 0.00 1.31 0.00 0.00 55.95 55.65 2gqh s SER 105 Cb -0.23 -1.77 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2gqh s SER 105 CO 0.31 -0.45 0.23 -0.55 0.41 0.00 0.00 173.24 173.19 2gqh s SER 106 N 1.25 0.10 0.00 2.44 0.15 -1.26 -5.31 113.70 111.07 2gqh s SER 106 Ca 0.11 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2gqh s SER 106 Cb -0.22 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2gqh s SER 106 CO -0.05 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.13