#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m h ARG 2 N 0.00 -0.08 -4.27 0.00 0.11 -1.85 -3.25 114.38 105.04 3i1m h ARG 2 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3i1m h ARG 2 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3i1m h ARG 2 CO 0.00 -0.05 -0.84 0.44 0.10 0.00 0.00 179.97 179.62 3i1m n ILE 3 N -4.45-11.93 0.00 0.08 -5.35 -1.26 -4.19 119.36 92.26 3i1m n ILE 3 Ca -0.01 3.03 0.00 0.00 -0.27 0.00 0.00 62.75 65.50 3i1m n ILE 3 Cb 0.03 -4.92 0.00 0.00 -1.74 0.00 0.00 39.64 33.01 3i1m n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1m n ALA 4 N 1.92 0.00 -2.82 -1.28 0.00 -1.26 -4.51 120.51 112.56 3i1m n ALA 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3i1m n ALA 4 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i1m n ALA 4 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1m s GLY 5 N 0.00 2.21 0.00 0.00 0.00 -1.26 -4.98 107.32 103.29 3i1m s GLY 5 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3i1m s GLY 5 CO 0.00 -0.41 0.68 0.29 0.00 0.00 0.00 173.10 173.65 3i1m n ILE 6 N 1.45 0.91 -1.98 0.90 -6.64 -1.26 -4.70 119.36 108.03 3i1m n ILE 6 Ca -0.15 0.31 -0.41 0.00 -1.77 0.00 0.00 62.75 60.73 3i1m n ILE 6 Cb 0.54 -1.31 -0.02 0.00 -1.44 0.00 0.00 39.64 37.40 3i1m n ILE 6 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 3i1m s ASN 7 N -2.35 6.61 -0.44 7.28 3.04 -1.26 -4.73 114.94 123.08 3i1m s ASN 7 Ca 0.00 2.75 0.01 0.00 0.04 0.00 0.00 52.86 55.66 3i1m s ASN 7 Cb 0.00 -2.63 0.12 0.00 -1.54 0.00 0.00 41.25 37.19 3i1m s ASN 7 CO 0.00 -0.72 0.20 -0.63 -3.04 0.00 0.00 177.10 172.91 3i1m s ILE 8 N -0.36 2.82 0.10 -5.21 1.01 -1.26 -3.89 121.20 114.42 3i1m s ILE 8 Ca 0.57 -2.61 0.06 0.00 0.00 0.00 0.00 60.65 58.66 3i1m s ILE 8 Cb -0.43 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3i1m s ILE 8 CO 0.48 -0.71 -0.03 -2.16 0.00 0.00 0.00 174.94 172.52 3i1m s PRO 9 N 0.51 2.40 0.00 2.79 0.04 -1.23 -4.98 135.00 134.54 3i1m s PRO 9 Ca 0.13 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.24 3i1m s PRO 9 Cb -0.22 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3i1m s PRO 9 CO -0.04 0.52 0.00 -3.47 0.04 0.00 0.00 177.00 174.05 3i1m n ASP 10 N 0.53 0.00 0.00 6.66 2.03 -1.26 -4.95 116.55 119.56 3i1m n ASP 10 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 3i1m n ASP 10 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3i1m n ASP 10 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3i1m n HIS 11 N 0.53 0.00 -4.13 -0.67 8.25 -1.26 -5.03 115.22 112.90 3i1m n HIS 11 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3i1m n HIS 11 Cb 0.00 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 30.84 3i1m n HIS 11 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1m n LYS 12 N -2.59 0.49 -1.85 -0.41 5.02 -1.26 -5.07 118.16 112.48 3i1m n LYS 12 Ca 0.00 -2.72 -0.38 0.00 -2.02 0.00 0.00 58.31 53.18 3i1m n LYS 12 Cb 0.00 2.40 0.03 0.00 -0.02 0.00 0.00 35.03 37.44 3i1m n LYS 12 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i1m s HIS 13 N -3.17 2.39 0.19 2.13 3.76 -1.26 -4.44 115.29 114.88 3i1m s HIS 13 Ca 0.31 1.38 -0.12 0.00 -0.15 0.00 0.00 55.06 56.48 3i1m s HIS 13 Cb 0.00 -3.76 0.19 0.00 1.11 0.00 0.00 32.58 30.13 3i1m s HIS 13 CO 0.22 -2.71 1.76 0.00 -0.85 0.00 0.00 174.74 173.16 3i1m h ALA 14 N 1.65 0.67 -0.08 -1.40 0.00 -1.59 0.12 119.26 118.63 3i1m h ALA 14 Ca -0.51 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3i1m h ALA 14 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i1m h ALA 14 CO 0.58 -0.16 0.07 -0.39 0.00 0.00 0.00 179.25 179.36 3i1m h VAL 15 N 0.43 0.69 0.05 0.00 -1.51 -1.51 -2.54 116.25 111.85 3i1m h VAL 15 Ca 0.25 0.00 -0.38 0.00 -1.23 0.00 0.00 66.70 65.35 3i1m h VAL 15 Cb 0.24 0.94 -0.05 0.00 -2.13 0.00 0.00 31.29 30.30 3i1m h VAL 15 CO -0.23 0.00 -2.20 -0.38 -1.23 0.00 0.00 177.57 173.53 3i1m n ILE 16 N -4.11 1.61 -0.23 7.19 5.41 -0.39 -4.23 119.36 124.62 3i1m n ILE 16 Ca -0.01 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.20 3i1m n ILE 16 Cb 0.18 -1.64 0.12 0.00 -0.71 0.00 0.00 39.64 37.58 3i1m n ILE 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1m h ALA 17 N -0.12 0.91 -0.30 -1.39 0.00 -0.72 -1.15 119.26 116.49 3i1m h ALA 17 Ca -0.52 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.53 3i1m h ALA 17 Cb 1.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3i1m h ALA 17 CO -0.07 -0.05 0.33 -0.07 0.00 0.00 0.00 179.25 179.38 3i1m h LEU 18 N 0.58 0.00 -1.38 0.00 -0.00 -1.63 -0.23 115.31 112.65 3i1m h LEU 18 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 3i1m h LEU 18 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 3i1m h LEU 18 CO -0.25 0.00 0.00 0.71 -0.00 0.00 0.00 178.44 178.90 3i1m h THR 19 N 0.00 0.00 -0.56 0.22 1.35 -1.37 -2.56 112.91 109.99 3i1m h THR 19 Ca 0.14 -0.13 0.07 0.00 -0.55 0.00 0.00 66.41 65.95 3i1m h THR 19 Cb 0.79 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 67.95 3i1m h THR 19 CO -0.00 0.00 0.23 0.28 -0.25 0.00 0.00 175.52 175.77 3i1m h SER 20 N 0.00 0.26 -1.76 5.36 0.02 -1.18 -3.43 113.55 112.82 3i1m h SER 20 Ca 0.00 0.06 -0.66 0.00 -0.84 0.00 0.00 61.79 60.35 3i1m h SER 20 Cb 0.17 0.02 0.09 0.00 0.14 0.00 0.00 62.40 62.82 3i1m h SER 20 CO 0.00 0.17 0.08 -0.38 -1.14 0.00 0.00 176.83 175.56 3i1m n ILE 21 N -4.96 1.17 -2.56 3.27 -0.00 -0.97 -4.82 119.36 110.49 3i1m n ILE 21 Ca 0.07 -0.29 -0.42 0.00 -0.00 0.00 0.00 62.75 62.10 3i1m n ILE 21 Cb 0.22 -0.63 -0.01 0.00 -0.00 0.00 0.00 39.64 39.22 3i1m n ILE 21 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 3i1m s TYR 22 N -0.45 2.71 0.00 1.39 5.04 -1.26 -3.08 117.35 121.70 3i1m s TYR 22 Ca 0.71 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 3i1m s TYR 22 Cb -0.88 -4.73 0.00 0.00 0.35 0.00 0.00 41.96 36.70 3i1m s TYR 22 CO 0.55 -1.82 0.00 0.41 -1.34 0.00 0.00 175.55 173.35 3i1m n GLY 23 N 5.69 -0.32 2.78 8.97 0.00 -1.26 -0.57 105.19 120.47 3i1m n GLY 23 Ca 0.46 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 3i1m n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1m s VAL 24 N 0.00 0.57 0.53 1.61 -7.23 -1.18 -4.95 120.40 109.75 3i1m s VAL 24 Ca 0.00 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 59.97 3i1m s VAL 24 Cb 0.00 -0.86 0.05 0.00 0.56 0.00 0.00 36.38 36.13 3i1m s VAL 24 CO 0.00 0.06 0.59 -0.83 -0.31 0.00 0.00 175.10 174.61 3i1m s GLY 25 N 1.87 2.02 0.37 2.32 0.00 -1.26 -4.54 107.32 108.10 3i1m s GLY 25 Ca 0.02 -1.77 0.20 0.00 0.00 0.00 0.00 44.72 43.16 3i1m s GLY 25 CO -0.07 -1.76 1.65 0.50 0.00 0.00 0.00 173.10 173.42 3i1m h LYS 26 N 0.52 0.22 0.68 2.90 1.79 -1.97 -0.59 116.57 120.12 3i1m h LYS 26 Ca -0.34 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.08 3i1m h LYS 26 Cb 1.29 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.90 3i1m h LYS 26 CO 0.49 0.15 -0.32 1.15 -1.08 0.00 0.00 179.45 179.83 3i1m h THR 27 N 0.23 0.00 -0.91 -0.16 2.02 -1.99 -2.47 112.91 109.63 3i1m h THR 27 Ca 0.76 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.88 3i1m h THR 27 Cb 1.96 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3i1m h THR 27 CO -0.56 0.00 0.60 0.03 0.37 0.00 0.00 175.52 175.96 3i1m h ARG 28 N -1.03 1.05 0.00 6.66 3.08 -1.68 -1.83 114.38 120.63 3i1m h ARG 28 Ca -0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3i1m h ARG 28 Cb 0.70 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3i1m h ARG 28 CO 0.15 0.69 0.00 0.45 -1.07 0.00 0.00 179.97 180.19 3i1m n SER 29 N -4.47 0.33 -0.06 7.04 2.88 -0.32 -1.58 113.62 117.43 3i1m n SER 29 Ca 0.13 0.59 -0.07 0.00 -1.33 0.00 0.00 58.87 58.20 3i1m n SER 29 Cb 0.17 -0.66 -0.05 0.00 -0.75 0.00 0.00 64.21 62.92 3i1m n SER 29 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3i1m h LYS 30 N 0.00 0.00 0.00 -1.46 1.57 -0.84 -3.17 116.57 112.66 3i1m h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i1m h LYS 30 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3i1m h LYS 30 CO 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 3i1m n ALA 31 N -2.96 1.20 -0.02 3.86 0.00 -1.10 0.54 120.51 122.03 3i1m n ALA 31 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1m n ALA 31 Cb 0.24 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i1m n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1m h ILE 32 N 0.00 0.00 0.00 0.00 1.08 -1.40 -3.31 117.51 113.88 3i1m h ILE 32 Ca 0.00 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 63.96 3i1m h ILE 32 Cb 0.04 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 3i1m h ILE 32 CO 0.00 0.00 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.10 3i1m h LEU 33 N -0.45 0.00 -1.38 1.44 3.38 -1.40 -1.27 115.31 115.63 3i1m h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1m h LEU 33 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3i1m h LEU 33 CO 0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3i1m n ALA 34 N -2.27 2.74 -2.43 1.53 0.00 0.19 -3.26 120.51 117.01 3i1m n ALA 34 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 52.92 3i1m n ALA 34 Cb 0.45 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.94 3i1m n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m n ALA 35 N 0.15 3.23 -0.04 0.00 0.00 -0.48 -4.75 120.51 118.62 3i1m n ALA 35 Ca 0.07 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.54 3i1m n ALA 35 Cb 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3i1m n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m n ALA 36 N -0.45 0.00 -0.29 0.00 0.00 -1.24 -4.98 120.51 113.55 3i1m n ALA 36 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3i1m n ALA 36 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 3i1m n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1m n GLY 37 N 0.00 0.69 3.78 0.00 0.00 -1.25 -5.06 105.19 103.36 3i1m n GLY 37 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i1m n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1m s ILE 38 N -2.43 3.61 0.92 -0.61 -1.09 -1.20 -5.04 121.20 115.35 3i1m s ILE 38 Ca 0.00 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.44 3i1m s ILE 38 Cb 0.00 -3.56 0.15 0.00 -1.58 0.00 0.00 42.46 37.47 3i1m s ILE 38 CO 0.00 -0.06 1.22 0.00 -1.23 0.00 0.00 174.94 174.86 3i1m s ALA 39 N -1.72 2.16 -0.02 9.38 0.00 -1.26 -4.56 121.76 125.73 3i1m s ALA 39 Ca 0.62 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 3i1m s ALA 39 Cb -0.22 -2.90 -0.18 0.00 0.00 0.00 0.00 23.12 19.81 3i1m s ALA 39 CO 0.27 -2.23 1.17 1.05 0.00 0.00 0.00 175.76 176.02 3i1m h GLU 40 N -1.48 -0.14 -0.35 0.00 4.11 -1.96 -3.37 114.58 111.39 3i1m h GLU 40 Ca -0.46 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3i1m h GLU 40 Cb 1.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3i1m h GLU 40 CO 0.53 0.29 0.00 -0.40 0.07 0.00 0.00 179.01 179.50 3i1m n ASP 41 N -4.94 2.94 -4.57 3.06 3.85 -1.26 -1.36 116.55 114.28 3i1m n ASP 41 Ca -0.09 -1.97 -0.38 0.00 -0.71 0.00 0.00 54.79 51.64 3i1m n ASP 41 Cb 0.26 -0.24 -0.03 0.00 -1.35 0.00 0.00 41.12 39.76 3i1m n ASP 41 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3i1m s VAL 42 N -1.00 3.00 1.16 2.12 -7.23 -1.26 -4.11 120.40 113.09 3i1m s VAL 42 Ca 0.24 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.26 3i1m s VAL 42 Cb 0.13 -3.01 0.20 0.00 0.56 0.00 0.00 36.38 34.26 3i1m s VAL 42 CO 0.17 -0.01 0.47 0.29 -0.31 0.00 0.00 175.10 175.71 3i1m n LYS 43 N 8.93 -2.14 0.26 4.82 5.02 -1.26 -3.52 118.16 130.27 3i1m n LYS 43 Ca 0.35 -0.60 0.15 0.00 -2.02 0.00 0.00 58.31 56.18 3i1m n LYS 43 Cb 0.52 -1.91 0.56 0.00 -0.02 0.00 0.00 35.03 34.18 3i1m n LYS 43 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i1m h ILE 44 N -2.41 0.13 -0.35 -0.18 5.03 -1.92 -3.34 117.51 114.46 3i1m h ILE 44 Ca -0.59 -0.73 -0.34 0.00 -0.12 0.00 0.00 64.86 63.09 3i1m h ILE 44 Cb 1.35 1.64 -0.02 0.00 -3.03 0.00 0.00 36.82 36.77 3i1m h ILE 44 CO 0.44 0.05 1.11 -0.24 -0.68 0.00 0.00 178.15 178.83 3i1m n SER 45 N -3.16 2.75 0.00 1.72 2.88 -1.26 -0.44 113.62 116.11 3i1m n SER 45 Ca 0.01 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 3i1m n SER 45 Cb 0.37 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 3i1m n SER 45 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1m n GLU 46 N 8.09 0.00 -2.56 -1.46 4.07 -1.26 -5.09 120.64 122.43 3i1m n GLU 46 Ca 0.45 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.13 3i1m n GLU 46 Cb 0.46 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.81 3i1m n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3i1m s LEU 47 N 0.00 3.39 0.30 4.31 0.20 0.41 -5.01 118.68 122.28 3i1m s LEU 47 Ca 0.00 0.01 -0.20 0.00 0.69 0.00 0.00 54.13 54.64 3i1m s LEU 47 Cb 0.00 -3.04 -0.09 0.00 -0.43 0.00 0.00 46.19 42.63 3i1m s LEU 47 CO 0.00 -1.57 0.80 -0.44 -0.29 0.00 0.00 176.35 174.85 3i1m s SER 48 N 3.22 7.02 0.30 3.68 0.01 -1.26 -4.91 113.70 121.75 3i1m s SER 48 Ca 0.42 1.49 0.01 0.00 1.31 0.00 0.00 55.95 59.18 3i1m s SER 48 Cb -0.08 -2.45 0.71 0.00 0.21 0.00 0.00 66.02 64.42 3i1m s SER 48 CO 0.23 -0.10 1.60 -0.08 0.41 0.00 0.00 173.24 175.30 3i1m h GLU 49 N 2.86 0.07 0.00 12.44 4.57 -1.97 1.32 114.58 133.87 3i1m h GLU 49 Ca -0.48 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3i1m h GLU 49 Cb 1.19 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3i1m h GLU 49 CO 0.65 0.05 0.00 0.41 -1.18 0.00 0.00 179.01 178.93 3i1m n GLY 50 N -1.45 -0.59 0.00 1.92 0.00 -1.26 -0.87 105.19 102.94 3i1m n GLY 50 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3i1m n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1m n GLN 51 N -1.54 0.98 -0.03 1.61 7.27 0.45 -4.42 117.38 121.69 3i1m n GLN 51 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 57.00 56.98 3i1m n GLN 51 Cb 0.03 -1.36 -0.13 0.00 2.41 0.00 0.00 30.24 31.18 3i1m n GLN 51 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3i1m n ILE 52 N -1.61 1.32 0.87 1.69 3.06 -0.05 -4.12 119.36 120.51 3i1m n ILE 52 Ca 0.02 -0.77 0.13 0.00 -2.50 0.00 0.00 62.75 59.63 3i1m n ILE 52 Cb 0.33 -0.71 0.49 0.00 0.54 0.00 0.00 39.64 40.29 3i1m n ILE 52 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3i1m n ASP 53 N -2.86 0.33 0.07 9.51 3.85 -1.10 -1.62 116.55 124.73 3i1m n ASP 53 Ca -0.19 0.41 0.13 0.00 -0.71 0.00 0.00 54.79 54.42 3i1m n ASP 53 Cb 1.00 -0.45 0.48 0.00 -1.35 0.00 0.00 41.12 40.80 3i1m n ASP 53 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3i1m n THR 54 N -1.75 0.47 -0.02 2.12 -2.24 -1.26 -3.00 114.28 108.60 3i1m n THR 54 Ca 0.06 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 3i1m n THR 54 Cb 0.37 -0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 3i1m n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i1m n LEU 55 N -1.94 2.69 0.01 3.22 4.77 -0.71 -3.68 117.00 121.35 3i1m n LEU 55 Ca 0.05 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 3i1m n LEU 55 Cb 0.35 -1.08 0.50 0.00 -2.33 0.00 0.00 43.42 40.86 3i1m n LEU 55 CO 0.26 0.86 1.16 -0.09 -1.33 0.00 0.00 177.39 178.25 3i1m h ARG 56 N 0.04 0.38 0.13 3.23 2.43 -1.23 -0.30 114.38 119.05 3i1m h ARG 56 Ca -0.45 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.39 3i1m h ARG 56 Cb 2.00 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.46 3i1m h ARG 56 CO 0.05 0.25 -1.54 0.22 -1.51 0.00 0.00 179.97 177.44 3i1m h ASP 57 N 0.39 0.42 0.37 -3.80 3.58 -1.73 -2.34 116.42 113.31 3i1m h ASP 57 Ca 0.18 -0.58 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 3i1m h ASP 57 Cb 0.24 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 3i1m h ASP 57 CO -0.04 1.48 -0.03 -0.08 -2.88 0.00 0.00 179.24 177.69 3i1m h GLU 58 N 0.07 0.00 0.00 0.28 4.57 -1.30 -1.61 114.58 116.60 3i1m h GLU 58 Ca -0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3i1m h GLU 58 Cb 2.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 3i1m h GLU 58 CO 0.17 0.03 -1.13 1.55 -1.18 0.00 0.00 179.01 178.44 3i1m n VAL 59 N -3.26 0.00 1.14 0.32 3.14 -0.25 -4.16 118.33 115.27 3i1m n VAL 59 Ca -0.02 -0.19 0.10 0.00 -2.96 0.00 0.00 64.34 61.27 3i1m n VAL 59 Cb 0.18 0.71 0.57 0.00 -1.06 0.00 0.00 33.84 34.24 3i1m n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1m n ALA 60 N -1.63 2.18 -0.02 1.55 0.00 -0.61 -3.45 120.51 118.52 3i1m n ALA 60 Ca 0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 3i1m n ALA 60 Cb 0.33 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 3i1m n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1m h LYS 61 N 0.00 -0.04 -6.33 0.00 1.57 -1.71 -3.46 116.57 106.59 3i1m h LYS 61 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3i1m h LYS 61 Cb 0.10 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3i1m h LYS 61 CO 0.00 0.62 -0.16 0.12 -0.57 0.00 0.00 179.45 179.46 3i1m s PHE 62 N -3.13 3.48 -0.06 -1.35 5.36 -1.22 -5.04 117.98 116.02 3i1m s PHE 62 Ca -0.16 0.85 -0.30 0.00 -0.96 0.00 0.00 56.93 56.36 3i1m s PHE 62 Cb -0.01 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 3i1m s PHE 62 CO 0.61 0.36 1.44 0.08 -1.46 0.00 0.00 175.22 176.24 3i1m s VAL 63 N -1.68 3.83 0.30 3.12 1.01 -1.26 -5.00 120.40 120.72 3i1m s VAL 63 Ca 0.43 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.56 3i1m s VAL 63 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3i1m s VAL 63 CO 0.21 -0.06 0.26 0.68 0.00 0.00 0.00 175.10 176.19 3i1m s VAL 64 N 3.17 0.00 0.00 2.92 -7.23 -1.26 -4.64 120.40 113.36 3i1m s VAL 64 Ca 0.64 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3i1m s VAL 64 Cb -0.29 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3i1m s VAL 64 CO 0.24 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.41 3i1m n GLU 65 N -0.53 0.00 -0.36 4.82 -0.58 0.26 -2.80 120.64 121.45 3i1m n GLU 65 Ca 0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.76 3i1m n GLU 65 Cb 0.63 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.49 3i1m n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1m n GLY 66 N 0.00 -2.02 0.41 0.62 0.00 -1.26 0.25 105.19 103.19 3i1m n GLY 66 Ca 0.00 1.02 0.21 0.00 0.00 0.00 0.00 46.02 47.26 3i1m n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i1m h ASP 67 N 0.00 0.42 -0.01 1.61 3.32 -1.93 0.10 116.42 119.93 3i1m h ASP 67 Ca 0.25 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3i1m h ASP 67 Cb 0.47 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3i1m h ASP 67 CO -0.87 0.12 -0.15 0.25 -1.72 0.00 0.00 179.24 176.88 3i1m h LEU 68 N 0.39 0.14 -0.33 1.55 5.85 -0.04 -2.86 115.31 120.02 3i1m h LEU 68 Ca 0.54 -0.74 0.07 0.00 0.84 0.00 0.00 57.88 58.59 3i1m h LEU 68 Cb 1.38 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 3i1m h LEU 68 CO -0.23 0.87 -0.16 0.03 -0.34 0.00 0.00 178.44 178.60 3i1m h ARG 69 N -0.56 -0.11 0.21 1.25 3.08 -0.01 0.28 114.38 118.52 3i1m h ARG 69 Ca -0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3i1m h ARG 69 Cb 0.88 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3i1m h ARG 69 CO 0.03 -0.07 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.36 3i1m h ARG 70 N -0.11 -0.68 -0.41 0.04 9.65 -1.25 0.37 114.38 121.99 3i1m h ARG 70 Ca 0.17 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.18 3i1m h ARG 70 Cb 0.37 0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.02 3i1m h ARG 70 CO -0.40 -0.45 -0.14 1.49 2.80 0.00 0.00 179.97 183.27 3i1m h GLU 71 N -0.71 -0.05 0.66 0.20 4.22 -1.11 0.28 114.58 118.08 3i1m h GLU 71 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3i1m h GLU 71 Cb 0.70 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.96 3i1m h GLU 71 CO -0.18 -0.03 -0.32 0.82 -2.18 0.00 0.00 179.01 177.12 3i1m h ILE 72 N -0.05 0.25 0.00 2.32 2.04 -0.09 -0.35 117.51 121.63 3i1m h ILE 72 Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3i1m h ILE 72 Cb 0.35 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3i1m h ILE 72 CO -0.44 0.02 0.09 0.28 0.00 0.00 0.00 178.15 178.10 3i1m h SER 73 N -1.06 0.00 0.06 1.72 0.02 -0.05 0.14 113.55 114.38 3i1m h SER 73 Ca -0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3i1m h SER 73 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3i1m h SER 73 CO 0.15 0.00 -0.03 -0.03 -1.14 0.00 0.00 176.83 175.78 3i1m h MET 74 N 0.00 -0.08 -1.02 3.45 -1.53 0.20 -3.06 114.93 112.90 3i1m h MET 74 Ca 0.00 0.01 0.26 0.00 -3.44 0.00 0.00 59.70 56.52 3i1m h MET 74 Cb 0.18 0.02 -0.12 0.00 -0.55 0.00 0.00 31.60 31.13 3i1m h MET 74 CO 0.00 0.52 0.61 0.66 0.14 0.00 0.00 176.91 178.84 3i1m h SER 75 N -0.88 0.62 -0.12 1.39 4.64 0.98 0.28 113.55 120.47 3i1m h SER 75 Ca -0.01 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3i1m h SER 75 Cb 0.63 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3i1m h SER 75 CO 0.01 0.08 -0.03 0.40 -0.87 0.00 0.00 176.83 176.42 3i1m h ILE 76 N 0.53 1.29 -0.60 0.95 2.04 -1.52 -2.78 117.51 117.42 3i1m h ILE 76 Ca 0.65 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 65.65 3i1m h ILE 76 Cb 1.32 1.70 -0.09 0.00 -0.74 0.00 0.00 36.82 39.01 3i1m h ILE 76 CO -0.46 0.28 0.08 0.11 0.00 0.00 0.00 178.15 178.17 3i1m h LYS 77 N -0.09 0.20 -0.61 2.37 1.79 -0.89 -0.57 116.57 118.77 3i1m h LYS 77 Ca 0.03 -0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.61 3i1m h LYS 77 Cb 0.45 -0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.95 3i1m h LYS 77 CO 0.01 0.13 -0.06 -0.09 -1.08 0.00 0.00 179.45 178.37 3i1m h ARG 78 N 0.20 0.07 -0.12 3.15 2.43 -1.03 0.30 114.38 119.37 3i1m h ARG 78 Ca 0.32 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3i1m h ARG 78 Cb 0.49 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 3i1m h ARG 78 CO -0.44 0.04 -0.45 -0.07 -1.51 0.00 0.00 179.97 177.54 3i1m h LEU 79 N 0.07 -1.40 -0.65 3.80 3.38 -0.85 -2.78 115.31 116.88 3i1m h LEU 79 Ca 0.31 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.47 3i1m h LEU 79 Cb 0.49 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3i1m h LEU 79 CO -0.56 -0.44 0.42 0.24 0.09 0.00 0.00 178.44 178.19 3i1m h MET 80 N -0.52 0.82 -0.12 1.13 2.86 -0.30 -2.19 114.93 116.62 3i1m h MET 80 Ca 0.07 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3i1m h MET 80 Cb 0.64 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3i1m h MET 80 CO -0.40 0.55 0.12 -0.44 1.06 0.00 0.00 176.91 177.79 3i1m h ASP 81 N 0.85 0.00 0.22 1.22 5.19 -0.27 -1.25 116.42 122.38 3i1m h ASP 81 Ca 0.24 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.30 3i1m h ASP 81 Cb -0.07 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.45 3i1m h ASP 81 CO -0.07 0.00 -1.74 -0.07 -3.12 0.00 0.00 179.24 174.24 3i1m h LEU 82 N 0.00 0.59 -2.77 1.55 3.38 -1.19 -3.50 115.31 113.38 3i1m h LEU 82 Ca 0.06 -0.89 -0.07 0.00 0.09 0.00 0.00 57.88 57.07 3i1m h LEU 82 Cb 0.29 -0.19 0.05 0.00 0.09 0.00 0.00 40.66 40.90 3i1m h LEU 82 CO -0.00 1.76 -0.23 0.61 0.09 0.00 0.00 178.44 180.66 3i1m n GLY 83 N 1.85 -0.18 0.00 0.83 0.00 -0.47 -5.07 105.19 102.15 3i1m n GLY 83 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1m n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m n TYR 85 N 0.00 0.00 -0.02 0.00 9.36 -1.26 -4.56 117.16 120.68 3i1m n TYR 85 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 3i1m n TYR 85 Cb 0.00 0.19 0.31 0.00 -0.63 0.00 0.00 39.34 39.21 3i1m n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i1m h ARG 86 N 0.00 0.57 0.50 2.98 3.08 -1.95 0.79 114.38 120.35 3i1m h ARG 86 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3i1m h ARG 86 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i1m h ARG 86 CO 0.00 0.53 -0.24 0.78 -1.07 0.00 0.00 179.97 179.97 3i1m h GLY 87 N 0.79 -0.71 1.18 0.04 0.00 -1.86 -1.46 103.07 101.07 3i1m h GLY 87 Ca 0.13 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.81 3i1m h GLY 87 CO -0.00 -0.26 0.33 1.41 0.00 0.00 0.00 176.54 178.02 3i1m h LEU 88 N -0.78 0.23 -0.13 3.11 3.38 -1.69 -1.46 115.31 117.99 3i1m h LEU 88 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3i1m h LEU 88 Cb 0.56 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i1m h LEU 88 CO 0.11 0.14 -0.03 0.03 0.09 0.00 0.00 178.44 178.79 3i1m h ARG 89 N 0.26 0.25 -0.26 1.13 2.47 -0.49 0.34 114.38 118.07 3i1m h ARG 89 Ca 0.22 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3i1m h ARG 89 Cb 0.54 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3i1m h ARG 89 CO -0.05 0.54 0.11 0.45 0.56 0.00 0.00 179.97 181.58 3i1m h HIS 90 N -0.07 0.35 0.00 3.04 3.86 -0.28 -0.09 115.15 121.96 3i1m h HIS 90 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3i1m h HIS 90 Cb 0.45 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 3i1m h HIS 90 CO 0.05 0.29 -0.37 -0.09 0.86 0.00 0.00 177.93 178.67 3i1m h ARG 91 N 0.37 0.00 -0.07 2.45 2.43 -1.19 -3.30 114.38 115.07 3i1m h ARG 91 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3i1m h ARG 91 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i1m h ARG 91 CO -0.01 0.04 0.00 0.54 -1.51 0.00 0.00 179.97 179.03 3i1m n ARG 92 N -2.97 1.53 -3.33 0.20 1.74 0.09 -5.02 116.66 108.91 3i1m n ARG 92 Ca 0.02 -1.61 -0.12 0.00 -0.77 0.00 0.00 57.85 55.37 3i1m n ARG 92 Cb 0.56 -1.34 0.02 0.00 -1.02 0.00 0.00 32.46 30.67 3i1m n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1m n GLY 93 N 0.99 -1.20 3.51 -0.13 0.00 -0.13 -5.03 105.19 103.21 3i1m n GLY 93 Ca 0.11 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 3i1m n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1m s LEU 94 N -4.85 0.52 0.31 0.99 1.43 -1.14 -4.47 118.68 111.47 3i1m s LEU 94 Ca 0.17 -1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 3i1m s LEU 94 Cb -0.04 1.50 -0.11 0.00 0.03 0.00 0.00 46.19 47.56 3i1m s LEU 94 CO 0.79 -1.10 1.56 -2.16 0.23 0.00 0.00 176.35 175.67 3i1m s PRO 95 N -3.96 4.13 -0.09 1.29 0.04 -1.26 -4.65 135.00 130.49 3i1m s PRO 95 Ca 0.26 2.56 0.07 0.00 0.04 0.00 0.00 61.00 63.93 3i1m s PRO 95 Cb 0.01 -3.01 -0.24 0.00 0.04 0.00 0.00 34.50 31.29 3i1m s PRO 95 CO 0.10 -0.60 0.47 0.28 0.04 0.00 0.00 177.00 177.29 3i1m n VAL 96 N 1.80 1.63 -0.24 -0.36 0.31 -1.26 -4.52 118.33 115.70 3i1m n VAL 96 Ca 0.06 -0.75 0.01 0.00 -0.01 0.00 0.00 64.34 63.66 3i1m n VAL 96 Cb 0.38 -1.20 0.23 0.00 -0.91 0.00 0.00 33.84 32.34 3i1m n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1m n ARG 97 N -3.15 3.20 0.00 5.55 1.74 -1.26 -4.83 116.66 117.90 3i1m n ARG 97 Ca -0.25 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 3i1m n ARG 97 Cb 1.06 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3i1m n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1m n GLY 98 N 0.24 2.36 3.39 -0.13 0.00 -1.26 -5.05 105.19 104.74 3i1m n GLY 98 Ca 0.21 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 3i1m n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1m n GLN 99 N 0.00 0.13 -1.56 1.61 3.00 -1.26 -4.83 117.38 114.46 3i1m n GLN 99 Ca 0.00 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 3i1m n GLN 99 Cb 0.00 -1.09 0.05 0.00 0.00 0.00 0.00 30.24 29.20 3i1m n GLN 99 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3i1m n ARG 100 N 1.04 0.74 0.00 -1.09 1.85 -1.26 -4.87 116.66 113.08 3i1m n ARG 100 Ca 0.15 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 3i1m n ARG 100 Cb 0.30 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 3i1m n ARG 100 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i1m n THR 101 N -1.74 0.00 0.02 8.89 -2.24 -1.26 -4.45 114.28 113.50 3i1m n THR 101 Ca 0.13 -0.40 0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3i1m n THR 101 Cb 0.47 1.07 0.52 0.00 -2.10 0.00 0.00 70.33 70.29 3i1m n THR 101 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i1m h LYS 102 N 0.00 0.34 -3.15 -0.78 3.64 -2.01 -3.44 116.57 111.16 3i1m h LYS 102 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3i1m h LYS 102 Cb 0.03 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 3i1m h LYS 102 CO 0.00 0.22 0.14 0.95 -2.27 0.00 0.00 179.45 178.50 3i1m s THR 103 N -5.33 0.00 -0.85 1.00 -4.23 -1.26 -5.04 115.64 99.93 3i1m s THR 103 Ca -0.07 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 3i1m s THR 103 Cb 0.18 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 72.14 3i1m s THR 103 CO 0.73 -0.02 0.69 0.59 -0.54 0.00 0.00 174.62 176.07 3i1m n ASN 104 N -0.42 -6.34 -1.33 3.99 3.02 -1.26 -4.79 115.26 108.13 3i1m n ASN 104 Ca -0.06 -0.56 0.04 0.00 -0.03 0.00 0.00 54.58 53.97 3i1m n ASN 104 Cb 0.61 -3.74 0.04 0.00 -0.61 0.00 0.00 39.78 36.07 3i1m n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1m n ALA 105 N -2.52 2.44 -0.23 5.41 0.00 -1.26 -4.79 120.51 119.56 3i1m n ALA 105 Ca -0.13 -2.32 0.03 0.00 0.00 0.00 0.00 53.44 51.02 3i1m n ALA 105 Cb 0.59 -0.68 0.15 0.00 0.00 0.00 0.00 19.45 19.50 3i1m n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m h ARG 106 N 0.91 0.42 0.02 0.00 2.47 -1.91 -0.51 114.38 115.78 3i1m h ARG 106 Ca -0.19 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3i1m h ARG 106 Cb 1.77 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.96 3i1m h ARG 106 CO 0.08 0.27 -0.35 1.15 0.56 0.00 0.00 179.97 181.68 3i1m h THR 107 N 0.43 0.00 0.00 2.04 2.02 -1.93 0.47 112.91 115.94 3i1m h THR 107 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 3i1m h THR 107 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3i1m h THR 107 CO -0.36 0.00 0.00 -0.09 0.37 0.00 0.00 175.52 175.44 3i1m h ARG 108 N -0.46 0.00 0.03 6.66 9.65 -1.91 -3.33 114.38 125.02 3i1m h ARG 108 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.52 3i1m h ARG 108 Cb 0.48 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 3i1m h ARG 108 CO -0.22 0.00 -2.07 1.17 2.80 0.00 0.00 179.97 181.64 3i1m n LYS 109 N -2.31 0.64 0.00 0.20 4.81 -0.21 -4.09 118.16 117.21 3i1m n LYS 109 Ca 0.04 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3i1m n LYS 109 Cb 0.34 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3i1m n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1m n GLY 110 N 1.71 2.48 3.38 3.14 0.00 0.16 -5.01 105.19 111.05 3i1m n GLY 110 Ca -0.42 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 3i1m n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1m n PRO 111 N 1.28 0.31 -3.99 1.61 -0.02 -1.26 -4.87 135.00 128.07 3i1m n PRO 111 Ca 0.00 0.12 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 3i1m n PRO 111 Cb 0.00 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3i1m n PRO 111 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i1m s ARG 112 N -1.55 3.23 0.00 -0.52 1.70 -1.26 -5.01 118.95 115.54 3i1m s ARG 112 Ca 0.63 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 3i1m s ARG 112 Cb -0.51 -2.88 0.00 0.00 -0.57 0.00 0.00 34.95 31.00 3i1m s ARG 112 CO 0.59 0.55 0.00 1.63 -1.08 0.00 0.00 175.30 176.99 3i1m n LYS 113 N -0.10 0.00 0.00 3.89 5.02 -1.26 -5.30 118.16 120.41 3i1m n LYS 113 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3i1m n LYS 113 Cb 0.53 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3i1m n LYS 113 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58