#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q h ARG 2 N 0.00 -0.40 -4.04 0.00 0.11 -1.80 -3.34 114.38 104.91 3i1q h ARG 2 Ca 0.00 0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3i1q h ARG 2 Cb 0.00 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.17 3i1q h ARG 2 CO 0.00 -0.26 -0.42 0.44 0.10 0.00 0.00 179.97 179.83 3i1q n ILE 3 N -5.34 -5.81 0.00 0.08 -5.35 -1.26 -4.12 119.36 97.56 3i1q n ILE 3 Ca -0.07 1.42 0.00 0.00 -0.27 0.00 0.00 62.75 63.83 3i1q n ILE 3 Cb 0.25 -3.15 0.00 0.00 -1.74 0.00 0.00 39.64 35.00 3i1q n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1q n ALA 4 N 1.85 0.00 -1.97 -1.28 0.00 -1.26 -4.63 120.51 113.21 3i1q n ALA 4 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3i1q n ALA 4 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3i1q n ALA 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1q s GLY 5 N 0.00 1.77 0.32 0.00 0.00 -1.26 -5.01 107.32 103.15 3i1q s GLY 5 Ca 0.00 -1.61 0.25 0.00 0.00 0.00 0.00 44.72 43.35 3i1q s GLY 5 CO 0.00 -0.93 1.71 0.16 0.00 0.00 0.00 173.10 174.04 3i1q h ILE 6 N -1.02 0.00 -2.10 0.90 -0.00 -1.82 -3.43 117.51 110.04 3i1q h ILE 6 Ca -0.39 -0.70 -0.61 0.00 -0.00 0.00 0.00 64.86 63.17 3i1q h ILE 6 Cb 1.25 1.68 0.05 0.00 -0.00 0.00 0.00 36.82 39.80 3i1q h ILE 6 CO 0.37 0.00 0.77 0.59 -0.00 0.00 0.00 178.15 179.87 3i1q n ASN 7 N -2.66 2.82 -4.14 2.16 4.13 -1.26 -4.56 115.26 111.76 3i1q n ASN 7 Ca 0.05 1.08 -0.38 0.00 1.68 0.00 0.00 54.58 57.01 3i1q n ASN 7 Cb 0.46 -1.36 -0.07 0.00 -1.54 0.00 0.00 39.78 37.27 3i1q n ASN 7 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i1q s ILE 8 N 1.28 4.37 0.40 2.41 1.01 -1.26 -3.85 121.20 125.56 3i1q s ILE 8 Ca 0.82 -3.45 -0.15 0.00 0.00 0.00 0.00 60.65 57.87 3i1q s ILE 8 Cb -0.75 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 37.90 3i1q s ILE 8 CO 0.42 -1.03 0.82 -2.84 0.00 0.00 0.00 174.94 172.32 3i1q s PRO 9 N -0.83 3.95 0.00 2.79 0.02 -1.25 -4.88 135.00 134.80 3i1q s PRO 9 Ca 0.24 0.72 0.00 0.00 0.02 0.00 0.00 61.00 61.97 3i1q s PRO 9 Cb -0.12 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.07 3i1q s PRO 9 CO -0.09 -0.01 0.00 -3.47 -0.33 0.00 0.00 177.00 173.10 3i1q n ASP 10 N -0.92 0.00 -0.94 2.53 2.03 -1.26 -4.79 116.55 113.20 3i1q n ASP 10 Ca 0.04 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 3i1q n ASP 10 Cb 0.54 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 3i1q n ASP 10 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3i1q n HIS 11 N -0.15 0.00 -4.35 -0.67 8.25 -1.26 -4.98 115.22 112.06 3i1q n HIS 11 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3i1q n HIS 11 Cb 0.00 -2.32 -0.10 0.00 1.12 0.00 0.00 29.99 28.69 3i1q n HIS 11 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i1q s LYS 12 N -2.98 1.51 0.28 -0.41 1.02 -1.26 -5.12 119.74 112.79 3i1q s LYS 12 Ca 0.00 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 3i1q s LYS 12 Cb 0.00 -0.33 -0.11 0.00 -0.52 0.00 0.00 37.83 36.87 3i1q s LYS 12 CO 0.00 -0.32 1.49 -1.01 -0.92 0.00 0.00 175.35 174.59 3i1q s HIS 13 N -3.63 2.89 0.19 3.18 3.76 -1.26 -4.54 115.29 115.87 3i1q s HIS 13 Ca 0.36 0.98 -0.25 0.00 -0.15 0.00 0.00 55.06 56.00 3i1q s HIS 13 Cb 0.07 -3.92 0.07 0.00 1.11 0.00 0.00 32.58 29.91 3i1q s HIS 13 CO 0.15 -2.98 1.55 0.00 -0.85 0.00 0.00 174.74 172.61 3i1q h ALA 14 N 4.68 -0.24 -0.43 -1.40 0.00 -1.76 0.12 119.26 120.22 3i1q h ALA 14 Ca -0.47 0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3i1q h ALA 14 Cb 1.22 1.16 -0.09 0.00 0.00 0.00 0.00 17.79 20.09 3i1q h ALA 14 CO 0.76 -0.81 -0.13 -0.39 0.00 0.00 0.00 179.25 178.68 3i1q h VAL 15 N -0.05 0.52 0.00 0.00 -1.51 -1.77 -2.23 116.25 111.22 3i1q h VAL 15 Ca 0.24 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.50 3i1q h VAL 15 Cb 0.51 0.52 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 3i1q h VAL 15 CO -0.91 0.00 -0.96 0.40 -1.23 0.00 0.00 177.57 174.87 3i1q h ILE 16 N -0.03 1.64 -0.18 7.19 2.04 -1.22 -2.93 117.51 124.02 3i1q h ILE 16 Ca 0.21 -3.32 -0.06 0.00 1.00 0.00 0.00 64.86 62.69 3i1q h ILE 16 Cb 0.35 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 3i1q h ILE 16 CO -0.46 0.94 -0.14 0.00 0.00 0.00 0.00 178.15 178.48 3i1q h ALA 17 N 1.04 1.44 0.00 1.87 0.00 -0.70 -2.25 119.26 120.66 3i1q h ALA 17 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i1q h ALA 17 Cb 1.74 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3i1q h ALA 17 CO 0.12 0.39 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 3i1q h LEU 18 N 0.28 0.00 0.00 0.00 -0.00 -1.21 -1.86 115.31 112.51 3i1q h LEU 18 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3i1q h LEU 18 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 3i1q h LEU 18 CO 0.02 0.02 0.00 0.35 -0.00 0.00 0.00 178.44 178.84 3i1q n THR 19 N -4.33 0.42 0.67 0.22 -2.24 -0.84 -2.53 114.28 105.64 3i1q n THR 19 Ca -0.03 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 3i1q n THR 19 Cb 0.11 -0.81 0.38 0.00 -2.10 0.00 0.00 70.33 67.91 3i1q n THR 19 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3i1q n SER 20 N -1.26 0.00 -4.72 3.42 7.64 -0.70 -4.72 113.62 113.28 3i1q n SER 20 Ca 0.09 0.24 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 3i1q n SER 20 Cb 0.14 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 3i1q n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i1q s ILE 21 N -2.75 4.60 -1.06 0.44 1.09 -1.05 -4.93 121.20 117.54 3i1q s ILE 21 Ca 0.12 2.05 -0.13 0.00 -1.10 0.00 0.00 60.65 61.60 3i1q s ILE 21 Cb 0.11 -4.32 -0.08 0.00 -1.06 0.00 0.00 42.46 37.11 3i1q s ILE 21 CO 0.26 0.28 2.20 -1.22 -0.10 0.00 0.00 174.94 176.36 3i1q n TYR 22 N 3.07 2.04 0.00 3.97 4.02 -1.26 -2.17 117.16 126.84 3i1q n TYR 22 Ca 0.03 -2.25 0.00 0.00 -0.01 0.00 0.00 57.90 55.67 3i1q n TYR 22 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 39.34 37.87 3i1q n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1q n GLY 23 N 4.04 0.00 2.99 2.72 0.00 -1.26 -1.21 105.19 112.47 3i1q n GLY 23 Ca 0.52 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.38 3i1q n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1q s VAL 24 N 0.00 0.55 0.00 1.61 -7.23 -0.92 -4.92 120.40 109.49 3i1q s VAL 24 Ca 0.00 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 3i1q s VAL 24 Cb 0.00 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.47 3i1q s VAL 24 CO 0.00 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 3i1q n GLY 25 N 2.83 6.21 0.27 2.32 0.00 -1.26 -4.78 105.19 110.77 3i1q n GLY 25 Ca -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 43.93 3i1q n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1q h LYS 26 N 0.00 0.39 -0.58 1.61 1.79 -1.98 -2.34 116.57 115.45 3i1q h LYS 26 Ca 0.00 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 3i1q h LYS 26 Cb 0.00 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3i1q h LYS 26 CO 0.00 0.40 0.17 1.15 -1.08 0.00 0.00 179.45 180.09 3i1q h THR 27 N 0.38 1.24 0.14 -0.16 2.02 -2.01 -2.97 112.91 111.55 3i1q h THR 27 Ca 0.09 -0.84 -0.30 0.00 0.77 0.00 0.00 66.41 66.13 3i1q h THR 27 Cb 0.22 0.68 0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3i1q h THR 27 CO 0.00 0.31 -1.27 0.03 0.37 0.00 0.00 175.52 174.97 3i1q h ARG 28 N 0.82 0.56 0.00 6.66 3.08 -1.92 -3.08 114.38 120.51 3i1q h ARG 28 Ca 0.19 -0.79 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3i1q h ARG 28 Cb 0.30 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3i1q h ARG 28 CO -0.00 1.36 0.00 0.45 -1.07 0.00 0.00 179.97 180.70 3i1q n SER 29 N -3.75 0.57 -0.09 7.04 2.88 -0.89 -0.34 113.62 119.05 3i1q n SER 29 Ca -0.13 0.75 -0.16 0.00 -1.33 0.00 0.00 58.87 58.00 3i1q n SER 29 Cb 1.00 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 63.54 3i1q n SER 29 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3i1q h LYS 30 N 0.00 0.00 0.00 -1.46 1.79 -1.51 -2.92 116.57 112.47 3i1q h LYS 30 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i1q h LYS 30 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3i1q h LYS 30 CO 0.00 0.79 0.00 0.00 -1.08 0.00 0.00 179.45 179.16 3i1q n ALA 31 N -3.15 1.08 -0.56 3.86 0.00 -0.67 -0.33 120.51 120.74 3i1q n ALA 31 Ca -0.20 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i1q n ALA 31 Cb 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i1q n ALA 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1q n ILE 32 N -1.77 0.00 -0.15 0.00 2.08 0.54 -4.08 119.36 115.98 3i1q n ILE 32 Ca -0.00 0.22 0.16 0.00 0.56 0.00 0.00 62.75 63.69 3i1q n ILE 32 Cb 0.03 -0.81 0.53 0.00 -0.75 0.00 0.00 39.64 38.64 3i1q n ILE 32 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3i1q h LEU 33 N 0.00 0.35 -0.95 1.39 3.38 -1.41 0.10 115.31 118.17 3i1q h LEU 33 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i1q h LEU 33 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i1q h LEU 33 CO 0.00 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3i1q n ALA 34 N -2.54 2.61 -0.09 1.53 0.00 0.55 -1.82 120.51 120.75 3i1q n ALA 34 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i1q n ALA 34 Cb 0.55 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i1q n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q n ALA 35 N -0.02 1.67 -1.78 0.00 0.00 0.35 -4.67 120.51 116.07 3i1q n ALA 35 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.39 3i1q n ALA 35 Cb 0.26 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.80 3i1q n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q n ALA 36 N -0.48 2.52 -0.50 0.00 0.00 -1.18 -4.97 120.51 115.90 3i1q n ALA 36 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.19 3i1q n ALA 36 Cb 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3i1q n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 37 N -0.52 0.73 3.77 0.00 0.00 -1.21 -4.95 105.19 103.01 3i1q n GLY 37 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3i1q n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1q s ILE 38 N -2.20 2.54 0.00 -0.61 -1.09 -0.76 -5.02 121.20 114.07 3i1q s ILE 38 Ca 0.00 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 3i1q s ILE 38 Cb 0.00 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3i1q s ILE 38 CO 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 174.94 173.81 3i1q n ALA 39 N 0.35 0.00 -0.02 9.38 0.00 -1.26 -4.31 120.51 124.64 3i1q n ALA 39 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3i1q n ALA 39 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 3i1q n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i1q n GLU 40 N 0.00 0.10 -1.44 0.00 0.28 -1.26 -4.73 120.64 113.59 3i1q n GLU 40 Ca 0.00 0.04 -0.34 0.00 -0.16 0.00 0.00 57.16 56.70 3i1q n GLU 40 Cb 0.00 -0.63 0.07 0.00 1.43 0.00 0.00 31.44 32.31 3i1q n GLU 40 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3i1q n ASP 41 N -2.87 7.41 -4.45 -1.84 3.85 -1.26 -2.23 116.55 115.16 3i1q n ASP 41 Ca -0.03 -3.79 -0.44 0.00 -0.71 0.00 0.00 54.79 49.83 3i1q n ASP 41 Cb 0.09 -0.92 -0.00 0.00 -1.35 0.00 0.00 41.12 38.94 3i1q n ASP 41 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3i1q s VAL 42 N -4.82 5.08 0.97 2.12 -7.23 -1.26 -4.58 120.40 110.67 3i1q s VAL 42 Ca 0.63 -2.53 -0.14 0.00 -1.81 0.00 0.00 61.98 58.13 3i1q s VAL 42 Cb 0.50 -4.85 -0.02 0.00 0.56 0.00 0.00 36.38 32.56 3i1q s VAL 42 CO -0.03 -1.55 0.03 0.29 -0.31 0.00 0.00 175.10 173.53 3i1q n LYS 43 N 5.50 -0.21 0.00 4.82 5.02 -1.26 -4.42 118.16 127.61 3i1q n LYS 43 Ca 0.33 -0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.69 3i1q n LYS 43 Cb 0.44 -1.59 0.61 0.00 -0.02 0.00 0.00 35.03 34.46 3i1q n LYS 43 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1q n ILE 44 N -3.27 0.00 -0.79 -0.18 -0.00 -1.26 -3.61 119.36 110.25 3i1q n ILE 44 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.70 3i1q n ILE 44 Cb 0.54 -0.63 -0.04 0.00 -0.00 0.00 0.00 39.64 39.51 3i1q n ILE 44 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 3i1q n SER 45 N -0.97 5.65 0.00 4.38 2.88 -1.26 -2.94 113.62 121.36 3i1q n SER 45 Ca 0.15 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 3i1q n SER 45 Cb 0.07 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 3i1q n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1q n GLU 46 N 1.46 0.00 -2.66 -1.46 4.07 -1.24 -5.09 120.64 115.72 3i1q n GLU 46 Ca 0.21 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.89 3i1q n GLU 46 Cb 0.62 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.97 3i1q n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3i1q s LEU 47 N 0.00 3.65 0.89 4.31 0.20 -1.15 -5.02 118.68 121.56 3i1q s LEU 47 Ca 0.00 0.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.71 3i1q s LEU 47 Cb 0.00 -3.10 0.13 0.00 -0.43 0.00 0.00 46.19 42.79 3i1q s LEU 47 CO 0.00 -1.39 1.15 -0.44 -0.29 0.00 0.00 176.35 175.38 3i1q s SER 48 N 2.87 3.68 0.08 3.68 0.01 -1.26 -4.83 113.70 117.93 3i1q s SER 48 Ca 0.40 0.93 -0.34 0.00 1.31 0.00 0.00 55.95 58.25 3i1q s SER 48 Cb -0.09 -1.49 -0.16 0.00 0.21 0.00 0.00 66.02 64.49 3i1q s SER 48 CO 0.24 -2.44 1.53 -0.08 0.41 0.00 0.00 173.24 172.90 3i1q h GLU 49 N -1.42 -0.93 0.00 12.44 4.57 -1.97 -1.70 114.58 125.57 3i1q h GLU 49 Ca -0.50 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3i1q h GLU 49 Cb 1.33 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 3i1q h GLU 49 CO 0.63 -0.62 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 3i1q n GLY 50 N -1.54 -0.26 0.02 1.92 0.00 -1.26 -0.13 105.19 103.95 3i1q n GLY 50 Ca -0.11 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3i1q n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1q n GLN 51 N -1.22 0.67 0.01 1.61 7.27 -0.69 -4.20 117.38 120.83 3i1q n GLN 51 Ca 0.01 -0.16 -0.12 0.00 0.07 0.00 0.00 57.00 56.80 3i1q n GLN 51 Cb 0.01 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 31.04 3i1q n GLN 51 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 3i1q h ILE 52 N 0.00 0.95 0.00 1.69 2.10 0.02 -3.32 117.51 118.96 3i1q h ILE 52 Ca -0.09 -2.73 0.00 0.00 1.08 0.00 0.00 64.86 63.12 3i1q h ILE 52 Cb 1.15 2.54 0.00 0.00 -1.09 0.00 0.00 36.82 39.42 3i1q h ILE 52 CO 0.00 0.67 0.00 -0.90 -1.08 0.00 0.00 178.15 176.85 3i1q n ASP 53 N -3.23 0.66 -0.17 2.19 3.85 -0.80 -1.59 116.55 117.45 3i1q n ASP 53 Ca -0.18 0.59 -0.10 0.00 -0.71 0.00 0.00 54.79 54.40 3i1q n ASP 53 Cb 1.04 -0.76 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 3i1q n ASP 53 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3i1q h THR 54 N 0.00 1.26 -0.14 2.12 1.35 -1.73 -2.71 112.91 113.06 3i1q h THR 54 Ca 0.00 -1.02 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 3i1q h THR 54 Cb 0.57 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3i1q h THR 54 CO 0.00 0.36 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.44 3i1q h LEU 55 N 0.71 0.35 -0.82 3.87 3.38 -1.62 -2.53 115.31 118.66 3i1q h LEU 55 Ca 0.14 -0.47 0.15 0.00 0.09 0.00 0.00 57.88 57.80 3i1q h LEU 55 Cb 0.47 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.98 3i1q h LEU 55 CO 0.02 0.74 -0.24 -1.14 0.09 0.00 0.00 178.44 177.91 3i1q n ARG 56 N -4.59 -0.11 0.07 1.13 0.63 -0.62 -0.67 116.66 112.49 3i1q n ARG 56 Ca -0.06 1.27 -0.18 0.00 -0.92 0.00 0.00 57.85 57.96 3i1q n ARG 56 Cb 0.34 -1.89 -0.14 0.00 0.45 0.00 0.00 32.46 31.22 3i1q n ARG 56 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3i1q h ASP 57 N 0.00 0.43 -0.00 6.15 3.58 -1.52 -2.31 116.42 122.74 3i1q h ASP 57 Ca 0.36 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 57.21 3i1q h ASP 57 Cb 0.56 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 3i1q h ASP 57 CO -0.83 1.50 0.03 -0.08 -2.88 0.00 0.00 179.24 176.97 3i1q h GLU 58 N 0.08 0.00 0.00 0.28 4.57 -0.54 -2.54 114.58 116.43 3i1q h GLU 58 Ca -0.25 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.70 3i1q h GLU 58 Cb 2.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.58 3i1q h GLU 58 CO 0.17 0.00 -1.97 1.55 -1.18 0.00 0.00 179.01 177.58 3i1q n VAL 59 N -3.14 0.85 0.00 0.32 3.14 0.15 -4.16 118.33 115.49 3i1q n VAL 59 Ca -0.03 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 3i1q n VAL 59 Cb 0.10 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 3i1q n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1q n ALA 60 N -2.47 1.02 0.38 1.55 0.00 -0.87 -2.81 120.51 117.32 3i1q n ALA 60 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 3i1q n ALA 60 Cb 0.89 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3i1q n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1q h LYS 61 N 0.00 -0.94 -6.93 0.00 1.57 -1.71 -3.43 116.57 105.14 3i1q h LYS 61 Ca 0.00 0.06 -0.47 0.00 -1.87 0.00 0.00 60.65 58.37 3i1q h LYS 61 Cb 0.04 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3i1q h LYS 61 CO 0.00 -0.60 0.37 0.12 -0.57 0.00 0.00 179.45 178.77 3i1q s PHE 62 N -5.42 3.50 -0.54 -1.35 5.36 -1.12 -4.98 117.98 113.42 3i1q s PHE 62 Ca -0.17 1.71 -0.28 0.00 -0.96 0.00 0.00 56.93 57.23 3i1q s PHE 62 Cb 0.02 -2.99 0.03 0.00 -0.34 0.00 0.00 43.02 39.74 3i1q s PHE 62 CO 0.54 -0.14 1.21 0.08 -1.46 0.00 0.00 175.22 175.45 3i1q s VAL 63 N -1.69 4.05 0.00 3.12 1.01 -1.26 -4.98 120.40 120.65 3i1q s VAL 63 Ca 0.54 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3i1q s VAL 63 Cb -0.19 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.54 3i1q s VAL 63 CO 0.24 -1.21 0.00 1.33 0.00 0.00 0.00 175.10 175.46 3i1q n VAL 64 N 6.76 0.00 -1.89 2.92 0.24 -1.26 -4.45 118.33 120.64 3i1q n VAL 64 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3i1q n VAL 64 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i1q n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1q n GLU 65 N 0.00 0.00 -0.30 7.34 -0.58 -0.35 -1.24 120.64 125.52 3i1q n GLU 65 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3i1q n GLU 65 Cb 0.00 0.00 0.35 0.00 -0.57 0.00 0.00 31.44 31.22 3i1q n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3i1q h GLY 66 N 0.00 1.34 1.34 0.62 0.00 -1.98 0.10 103.07 104.49 3i1q h GLY 66 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3i1q h GLY 66 CO 0.00 0.08 0.31 -0.55 0.00 0.00 0.00 176.54 176.38 3i1q h ASP 67 N 0.74 0.77 0.64 0.19 5.19 -1.93 -0.97 116.42 121.05 3i1q h ASP 67 Ca 0.48 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.79 3i1q h ASP 67 Cb 0.73 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 40.05 3i1q h ASP 67 CO -0.24 0.65 -0.31 0.25 -3.12 0.00 0.00 179.24 176.47 3i1q h LEU 68 N 0.86 -0.73 -0.60 1.55 5.85 0.61 -1.93 115.31 120.93 3i1q h LEU 68 Ca 0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3i1q h LEU 68 Cb 0.07 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3i1q h LEU 68 CO -0.03 -0.35 0.23 0.54 -0.34 0.00 0.00 178.44 178.48 3i1q n ARG 69 N -5.36 0.06 0.02 1.25 5.12 -0.79 -0.34 116.66 116.62 3i1q n ARG 69 Ca -0.11 0.48 -0.22 0.00 -1.93 0.00 0.00 57.85 56.07 3i1q n ARG 69 Cb 0.36 -1.93 -0.14 0.00 -1.16 0.00 0.00 32.46 29.59 3i1q n ARG 69 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3i1q h ARG 70 N 0.00 0.28 0.03 5.56 1.12 -0.79 -2.85 114.38 117.73 3i1q h ARG 70 Ca 0.00 -0.48 -0.26 0.00 -1.11 0.00 0.00 59.98 58.14 3i1q h ARG 70 Cb 0.45 0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.56 3i1q h ARG 70 CO 0.00 1.23 -1.33 1.49 -3.11 0.00 0.00 179.97 178.25 3i1q h GLU 71 N -0.09 0.05 0.45 0.20 4.22 0.10 -3.20 114.58 116.31 3i1q h GLU 71 Ca -0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 3i1q h GLU 71 Cb 1.93 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3i1q h GLU 71 CO 0.09 0.87 -0.21 0.82 -2.18 0.00 0.00 179.01 178.39 3i1q h ILE 72 N 0.01 0.46 0.00 2.32 2.04 -0.82 -1.75 117.51 119.77 3i1q h ILE 72 Ca -0.14 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3i1q h ILE 72 Cb 1.90 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3i1q h ILE 72 CO 0.12 0.07 0.02 -1.20 0.00 0.00 0.00 178.15 177.16 3i1q n SER 73 N -5.23 0.00 -0.09 1.72 7.64 -1.07 -1.40 113.62 115.19 3i1q n SER 73 Ca -0.10 0.24 -0.20 0.00 1.01 0.00 0.00 58.87 59.81 3i1q n SER 73 Cb 0.30 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 3i1q n SER 73 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3i1q h MET 74 N 0.00 0.02 -0.12 1.43 1.85 -1.34 -3.15 114.93 113.62 3i1q h MET 74 Ca 0.00 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 3i1q h MET 74 Cb 0.03 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.07 3i1q h MET 74 CO 0.00 1.02 0.11 0.66 -0.40 0.00 0.00 176.91 178.30 3i1q h SER 75 N -0.93 0.00 0.13 1.39 4.64 -0.48 0.12 113.55 118.42 3i1q h SER 75 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3i1q h SER 75 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i1q h SER 75 CO -0.14 0.00 -0.06 0.40 -0.87 0.00 0.00 176.83 176.16 3i1q h ILE 76 N 0.00 0.94 -0.98 0.95 2.04 -1.60 -3.00 117.51 115.86 3i1q h ILE 76 Ca 0.06 -1.24 0.13 0.00 1.00 0.00 0.00 64.86 64.81 3i1q h ILE 76 Cb 0.28 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.88 3i1q h ILE 76 CO -0.00 0.25 0.62 0.50 0.00 0.00 0.00 178.15 179.52 3i1q h LYS 77 N -0.85 0.89 -0.89 2.37 3.64 -1.29 0.10 116.57 120.53 3i1q h LYS 77 Ca -0.02 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3i1q h LYS 77 Cb 0.54 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3i1q h LYS 77 CO 0.03 0.59 0.58 -0.09 -2.27 0.00 0.00 179.45 178.29 3i1q h ARG 78 N 0.92 1.04 0.00 1.90 2.43 -0.83 0.35 114.38 120.18 3i1q h ARG 78 Ca 0.49 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3i1q h ARG 78 Cb 0.56 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i1q h ARG 78 CO -0.26 0.69 0.00 -0.07 -1.51 0.00 0.00 179.97 178.82 3i1q h LEU 79 N 1.07 0.00 0.00 3.80 3.38 -0.83 -2.29 115.31 120.44 3i1q h LEU 79 Ca 0.37 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.12 3i1q h LEU 79 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3i1q h LEU 79 CO -0.12 0.00 -1.56 0.23 0.09 0.00 0.00 178.44 177.07 3i1q n MET 80 N -2.93 0.63 0.16 1.13 2.81 0.03 -3.23 117.12 115.72 3i1q n MET 80 Ca 0.00 0.23 0.06 0.00 -1.81 0.00 0.00 57.70 56.19 3i1q n MET 80 Cb 0.26 -1.79 0.06 0.00 -0.71 0.00 0.00 33.22 31.05 3i1q n MET 80 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3i1q h ASP 81 N 0.00 0.00 -0.05 7.83 3.45 -1.11 -3.31 116.42 123.23 3i1q h ASP 81 Ca -0.22 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.14 3i1q h ASP 81 Cb 1.75 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.53 3i1q h ASP 81 CO 0.06 0.32 -0.37 -0.07 -1.57 0.00 0.00 179.24 177.60 3i1q h LEU 82 N 0.00 0.42 -1.00 1.55 3.38 -1.54 -3.48 115.31 114.64 3i1q h LEU 82 Ca -0.01 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 3i1q h LEU 82 Cb 1.25 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.90 3i1q h LEU 82 CO 0.04 1.04 -0.11 0.61 0.09 0.00 0.00 178.44 180.11 3i1q n GLY 83 N 0.81 0.71 0.00 0.83 0.00 -1.20 -5.06 105.19 101.28 3i1q n GLY 83 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3i1q n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n TYR 85 N 0.00 0.00 -0.05 0.00 9.36 -1.26 -4.35 117.16 120.86 3i1q n TYR 85 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 3i1q n TYR 85 Cb 0.00 -0.73 0.48 0.00 -0.63 0.00 0.00 39.34 38.46 3i1q n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i1q h ARG 86 N -0.71 0.43 0.23 2.98 3.08 -1.92 -1.36 114.38 117.11 3i1q h ARG 86 Ca -0.52 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 3i1q h ARG 86 Cb 1.46 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3i1q h ARG 86 CO -0.31 0.28 -0.11 0.78 -1.07 0.00 0.00 179.97 179.54 3i1q h GLY 87 N 0.44 -0.33 0.20 0.04 0.00 -1.81 -0.94 103.07 100.68 3i1q h GLY 87 Ca 0.23 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.74 3i1q h GLY 87 CO -0.06 -0.12 -0.26 1.41 0.00 0.00 0.00 176.54 177.51 3i1q h LEU 88 N -0.59 -0.81 -0.52 3.11 3.38 -1.55 0.65 115.31 118.99 3i1q h LEU 88 Ca -0.03 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.18 3i1q h LEU 88 Cb 0.43 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 3i1q h LEU 88 CO 0.05 -0.30 -0.07 0.03 0.09 0.00 0.00 178.44 178.24 3i1q h ARG 89 N -0.30 0.05 0.00 1.13 2.47 -1.30 0.14 114.38 116.57 3i1q h ARG 89 Ca 0.12 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 3i1q h ARG 89 Cb 0.47 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3i1q h ARG 89 CO -0.35 0.03 -0.18 0.45 0.56 0.00 0.00 179.97 180.48 3i1q h HIS 90 N 0.05 0.00 -0.59 3.04 3.86 0.38 -2.12 115.15 119.77 3i1q h HIS 90 Ca 0.26 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.43 3i1q h HIS 90 Cb 0.40 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3i1q h HIS 90 CO -0.38 0.18 0.05 -2.13 0.86 0.00 0.00 177.93 176.50 3i1q n ARG 91 N -3.85 4.66 0.00 2.45 0.63 0.21 -4.09 116.66 116.67 3i1q n ARG 91 Ca -0.02 -3.08 0.00 0.00 -0.92 0.00 0.00 57.85 53.83 3i1q n ARG 91 Cb 0.27 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 30.93 3i1q n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1q n ARG 92 N 0.49 -0.00 -3.35 -0.14 1.74 -0.24 -4.97 116.66 110.19 3i1q n ARG 92 Ca 0.29 -0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 57.10 3i1q n ARG 92 Cb 1.22 -0.54 0.06 0.00 -1.02 0.00 0.00 32.46 32.18 3i1q n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1q n GLY 93 N 0.03 -1.13 3.17 -0.13 0.00 -1.11 -5.03 105.19 100.98 3i1q n GLY 93 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 3i1q n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1q s LEU 94 N -5.63 1.70 0.31 0.99 1.43 -1.13 -4.52 118.68 111.83 3i1q s LEU 94 Ca 0.46 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 3i1q s LEU 94 Cb -0.08 0.80 -0.14 0.00 0.03 0.00 0.00 46.19 46.79 3i1q s LEU 94 CO 0.77 -0.66 0.87 -0.81 0.23 0.00 0.00 176.35 176.74 3i1q n PRO 95 N 0.13 1.05 -0.07 1.29 -0.04 -1.26 -4.59 135.00 131.50 3i1q n PRO 95 Ca -0.16 0.37 -0.08 0.00 -0.04 0.00 0.00 63.50 63.59 3i1q n PRO 95 Cb 0.61 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 3i1q n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i1q n VAL 96 N -0.06 0.89 -0.07 0.52 0.31 -1.26 -4.67 118.33 113.99 3i1q n VAL 96 Ca 0.11 -0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 3i1q n VAL 96 Cb 0.33 -0.85 0.11 0.00 -0.91 0.00 0.00 33.84 32.52 3i1q n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1q n ARG 97 N -2.69 1.86 -0.49 5.55 1.74 -1.26 -4.82 116.66 116.55 3i1q n ARG 97 Ca -0.24 -1.49 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 3i1q n ARG 97 Cb 0.86 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3i1q n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1q n GLY 98 N -0.20 1.52 3.48 -0.13 0.00 -1.26 -5.00 105.19 103.60 3i1q n GLY 98 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3i1q n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1q n GLN 99 N -2.00 0.65 -1.68 1.61 3.00 -1.26 -4.85 117.38 112.84 3i1q n GLN 99 Ca 0.00 0.24 -0.39 0.00 -0.01 0.00 0.00 57.00 56.84 3i1q n GLN 99 Cb 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 30.24 28.61 3i1q n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3i1q n ARG 100 N 0.22 1.40 0.00 -1.09 1.85 -1.26 -4.93 116.66 112.85 3i1q n ARG 100 Ca 0.11 0.52 0.01 0.00 -1.00 0.00 0.00 57.85 57.49 3i1q n ARG 100 Cb 0.43 -2.37 0.01 0.00 -1.05 0.00 0.00 32.46 29.49 3i1q n ARG 100 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i1q n THR 101 N -1.15 0.00 -0.13 8.89 -2.24 -1.26 -4.63 114.28 113.76 3i1q n THR 101 Ca 0.11 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.35 3i1q n THR 101 Cb 0.44 1.05 0.15 0.00 -2.10 0.00 0.00 70.33 69.87 3i1q n THR 101 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i1q h LYS 102 N 0.43 0.84 0.00 -0.78 3.64 -2.02 -3.47 116.57 115.21 3i1q h LYS 102 Ca 0.00 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 3i1q h LYS 102 Cb 0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3i1q h LYS 102 CO 0.00 0.81 -0.05 0.25 -2.27 0.00 0.00 179.45 178.20 3i1q n THR 103 N -4.23 0.00 -2.47 1.00 -2.24 -1.26 -5.03 114.28 100.05 3i1q n THR 103 Ca 0.03 -0.70 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 3i1q n THR 103 Cb 0.28 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.97 3i1q n THR 103 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i1q n ASN 104 N -1.88 -2.95 0.00 3.42 3.02 -1.26 -4.85 115.26 110.76 3i1q n ASN 104 Ca -0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3i1q n ASN 104 Cb 0.24 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 3i1q n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1q n ALA 105 N -0.27 1.70 -0.18 5.41 0.00 -1.26 -4.92 120.51 120.99 3i1q n ALA 105 Ca -0.06 -0.48 0.18 0.00 0.00 0.00 0.00 53.44 53.08 3i1q n ALA 105 Cb 0.38 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.16 3i1q n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1q n ARG 106 N -0.10 -0.03 0.00 0.00 5.12 -1.26 -1.64 116.66 118.75 3i1q n ARG 106 Ca 0.00 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 3i1q n ARG 106 Cb 0.15 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3i1q n ARG 106 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i1q n THR 107 N -4.19 0.00 0.06 0.55 -1.04 -1.26 0.12 114.28 108.52 3i1q n THR 107 Ca 0.21 0.77 0.04 0.00 -2.04 0.00 0.00 64.05 63.03 3i1q n THR 107 Cb 0.72 -1.53 0.22 0.00 -1.82 0.00 0.00 70.33 67.92 3i1q n THR 107 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1q n ARG 108 N -0.60 0.05 -0.00 -2.82 3.00 -0.99 -1.73 116.66 113.57 3i1q n ARG 108 Ca 0.00 0.52 0.04 0.00 -0.00 0.00 0.00 57.85 58.41 3i1q n ARG 108 Cb 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 32.46 30.69 3i1q n ARG 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i1q n LYS 109 N -1.76 2.32 -0.32 -0.14 4.81 -0.65 -3.65 118.16 118.76 3i1q n LYS 109 Ca -0.01 -0.04 0.04 0.00 -0.87 0.00 0.00 58.31 57.44 3i1q n LYS 109 Cb 0.06 -1.03 -0.02 0.00 0.02 0.00 0.00 35.03 34.06 3i1q n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1q n GLY 110 N 1.61 -2.38 3.60 3.14 0.00 0.32 -4.93 105.19 106.56 3i1q n GLY 110 Ca -0.00 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3i1q n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1q n PRO 111 N -2.75 0.23 -3.26 1.61 -0.02 -1.26 -4.60 135.00 124.95 3i1q n PRO 111 Ca -0.01 0.14 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 3i1q n PRO 111 Cb 0.15 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 3i1q n PRO 111 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i1q s ARG 112 N -3.64 3.51 -0.21 -0.52 1.70 -1.26 -5.05 118.95 113.49 3i1q s ARG 112 Ca 0.70 -0.20 -0.29 0.00 -0.47 0.00 0.00 55.73 55.47 3i1q s ARG 112 Cb -0.31 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.46 3i1q s ARG 112 CO 0.54 0.11 1.08 0.15 -1.08 0.00 0.00 175.30 176.09 3i1q s LYS 113 N -4.26 4.26 0.00 3.89 -0.14 -1.26 -5.27 119.74 116.96 3i1q s LYS 113 Ca 0.42 1.42 0.03 0.00 -1.36 0.00 0.00 55.97 56.47 3i1q s LYS 113 Cb -0.10 -3.66 0.15 0.00 -1.68 0.00 0.00 37.83 32.54 3i1q s LYS 113 CO 0.36 -0.64 0.64 -2.30 -0.76 0.00 0.00 175.35 172.66