#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z h ARG 2 N 0.00 0.89 0.00 -0.52 2.43 -2.05 -3.45 114.38 111.67 3i1z h ARG 2 Ca 0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3i1z h ARG 2 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3i1z h ARG 2 CO 0.00 1.10 0.00 2.89 -1.51 0.00 0.00 179.97 182.45 3i1z n ARG 3 N -4.06 0.00 -1.97 0.20 1.85 -1.26 -4.98 116.66 106.45 3i1z n ARG 3 Ca -0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.58 3i1z n ARG 3 Cb 0.53 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.87 3i1z n ARG 3 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3i1z s ARG 4 N -0.26 2.24 0.12 2.89 6.06 -1.26 -4.91 118.95 123.82 3i1z s ARG 4 Ca 0.00 -0.83 -0.31 0.00 -2.50 0.00 0.00 55.73 52.09 3i1z s ARG 4 Cb 0.00 -5.15 -0.10 0.00 0.06 0.00 0.00 34.95 29.76 3i1z s ARG 4 CO 0.00 -4.17 1.76 0.14 -2.50 0.00 0.00 175.30 170.53 3i1z s VAL 5 N 12.07 2.63 0.00 7.11 -7.23 -1.26 -3.09 120.40 130.63 3i1z s VAL 5 Ca 0.72 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 3i1z s VAL 5 Cb -0.03 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.80 3i1z s VAL 5 CO 0.12 0.00 0.00 2.30 -0.31 0.00 0.00 175.10 177.21 3i1z n ILE 6 N 4.64 0.00 0.00 -0.62 -5.35 -1.26 -4.91 119.36 111.86 3i1z n ILE 6 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 3i1z n ILE 6 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3i1z n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1z n GLY 7 N 4.62 2.19 3.40 3.28 0.00 -1.26 -5.01 105.19 112.41 3i1z n GLY 7 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 3i1z n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i1z s GLN 8 N 1.85 0.88 0.15 1.61 0.00 -1.26 -5.15 119.66 117.75 3i1z s GLN 8 Ca 0.00 0.09 -0.30 0.00 -0.00 0.00 0.00 55.36 55.15 3i1z s GLN 8 Cb 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 33.01 33.35 3i1z s GLN 8 CO 0.00 -0.26 1.01 -0.98 0.00 0.00 0.00 175.29 175.06 3i1z s ARG 9 N -1.20 4.68 0.33 9.60 1.70 -1.26 -5.04 118.95 127.76 3i1z s ARG 9 Ca -0.12 1.56 -0.09 0.00 -0.47 0.00 0.00 55.73 56.61 3i1z s ARG 9 Cb -0.02 -3.33 -0.06 0.00 -0.57 0.00 0.00 34.95 30.97 3i1z s ARG 9 CO 0.07 0.20 0.65 0.15 -1.08 0.00 0.00 175.30 175.30 3i1z s LYS 10 N -0.30 3.74 0.43 3.89 1.02 -1.26 -5.09 119.74 122.17 3i1z s LYS 10 Ca 0.47 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.77 3i1z s LYS 10 Cb -0.26 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3i1z s LYS 10 CO 0.32 0.12 0.11 0.44 -0.92 0.00 0.00 175.35 175.42 3i1z n ILE 11 N -0.93 0.00 -1.62 2.17 -5.35 -1.26 -5.15 119.36 107.22 3i1z n ILE 11 Ca 0.01 -2.38 -0.30 0.00 -0.27 0.00 0.00 62.75 59.80 3i1z n ILE 11 Cb 0.54 0.75 0.06 0.00 -1.74 0.00 0.00 39.64 39.25 3i1z n ILE 11 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i1z s LEU 12 N 0.00 2.91 0.00 7.28 2.01 -1.26 -5.07 118.68 124.55 3i1z s LEU 12 Ca 0.15 1.43 -0.05 0.00 0.01 0.00 0.00 54.13 55.68 3i1z s LEU 12 Cb 0.01 -4.21 0.06 0.00 0.01 0.00 0.00 46.19 42.06 3i1z s LEU 12 CO 0.11 -1.58 0.31 -0.81 1.01 0.00 0.00 176.35 175.39 3i1z n PRO 13 N -3.20 -0.78 -2.67 1.29 -0.04 -1.26 -4.81 135.00 123.54 3i1z n PRO 13 Ca 0.07 -0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 62.61 3i1z n PRO 13 Cb 0.55 -0.37 -0.03 0.00 -0.04 0.00 0.00 33.50 33.61 3i1z n PRO 13 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i1z s ASP 14 N -2.24 6.55 0.00 3.54 3.68 -1.19 -4.85 116.67 122.16 3i1z s ASP 14 Ca 0.19 0.28 -0.01 0.00 2.13 0.00 0.00 52.55 55.13 3i1z s ASP 14 Cb -0.01 -2.52 -0.04 0.00 -1.45 0.00 0.00 42.92 38.90 3i1z s ASP 14 CO 0.14 -1.24 1.03 -0.81 0.13 0.00 0.00 175.17 174.42 3i1z n PRO 15 N 7.75 0.45 0.00 4.34 -0.04 -1.26 -1.21 135.00 145.04 3i1z n PRO 15 Ca 0.09 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3i1z n PRO 15 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3i1z n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1z n LYS 16 N 2.36 0.00 0.08 0.54 4.81 -1.26 -5.02 118.16 119.68 3i1z n LYS 16 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3i1z n LYS 16 Cb 0.21 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.26 3i1z n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i1z n PHE 17 N 0.00 -1.92 0.00 5.64 3.01 -0.54 -5.06 117.46 118.59 3i1z n PHE 17 Ca 0.00 0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.85 3i1z n PHE 17 Cb 0.03 1.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 3i1z n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1z n GLY 18 N 0.62 1.38 3.65 1.37 0.00 -0.35 -4.90 105.19 106.96 3i1z n GLY 18 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i1z n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1z s SER 19 N -1.76 6.42 0.34 1.61 0.15 -1.26 -3.88 113.70 115.31 3i1z s SER 19 Ca 0.00 2.26 0.17 0.00 0.70 0.00 0.00 55.95 59.08 3i1z s SER 19 Cb 0.00 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.32 3i1z s SER 19 CO 0.00 -1.13 1.67 -0.08 1.20 0.00 0.00 173.24 174.90 3i1z h GLU 20 N 10.69 0.00 0.00 5.44 4.22 -1.92 -1.79 114.58 131.22 3i1z h GLU 20 Ca -0.42 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 58.95 3i1z h GLU 20 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3i1z h GLU 20 CO 0.96 0.43 -0.38 -0.07 -2.18 0.00 0.00 179.01 177.77 3i1z h LEU 21 N 0.00 0.00 0.00 1.64 3.38 -1.96 -2.88 115.31 115.50 3i1z h LEU 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1z h LEU 21 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3i1z h LEU 21 CO 0.06 0.31 -0.13 0.25 0.09 0.00 0.00 178.44 179.01 3i1z h LEU 22 N 0.00 0.00 0.04 1.67 6.46 -1.88 -3.17 115.31 118.44 3i1z h LEU 22 Ca -0.01 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3i1z h LEU 22 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3i1z h LEU 22 CO 0.04 0.00 -0.02 0.00 -0.62 0.00 0.00 178.44 177.84 3i1z h ALA 23 N 2.02 -0.06 -0.81 1.25 0.00 -1.13 -2.33 119.26 118.21 3i1z h ALA 23 Ca 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.78 3i1z h ALA 23 Cb 0.99 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3i1z h ALA 23 CO 0.00 -0.25 0.53 0.87 0.00 0.00 0.00 179.25 180.40 3i1z h LYS 24 N -0.62 0.58 -0.37 0.00 1.57 -1.62 -2.59 116.57 113.52 3i1z h LYS 24 Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3i1z h LYS 24 Cb 0.55 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3i1z h LYS 24 CO 0.01 0.38 -0.01 0.35 -0.57 0.00 0.00 179.45 179.61 3i1z h PHE 25 N 0.59 0.71 0.00 -1.35 3.57 -1.49 -2.36 116.94 116.62 3i1z h PHE 25 Ca 0.39 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3i1z h PHE 25 Cb 0.69 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3i1z h PHE 25 CO -0.00 0.76 -0.19 -0.39 -2.23 0.00 0.00 178.31 176.26 3i1z h VAL 26 N 0.47 0.61 0.20 1.41 -1.51 -1.04 -2.75 116.25 113.63 3i1z h VAL 26 Ca 0.10 -0.85 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 3i1z h VAL 26 Cb 0.48 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3i1z h VAL 26 CO 0.02 0.18 -0.10 0.78 -1.23 0.00 0.00 177.57 177.23 3i1z h ASN 27 N 0.00 -0.22 -0.47 4.19 2.35 -1.20 -2.04 115.58 118.18 3i1z h ASN 27 Ca -0.00 -0.20 0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3i1z h ASN 27 Cb 0.54 0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.87 3i1z h ASN 27 CO 0.02 0.08 -0.17 0.40 -1.65 0.00 0.00 177.43 176.12 3i1z h ILE 28 N -0.54 0.44 0.00 2.81 1.08 -1.17 0.34 117.51 120.46 3i1z h ILE 28 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 3i1z h ILE 28 Cb 0.41 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3i1z h ILE 28 CO 0.04 0.00 0.00 0.25 -0.69 0.00 0.00 178.15 177.75 3i1z h LEU 29 N -0.06 0.00-10.02 1.44 6.46 -1.54 -3.44 115.31 108.15 3i1z h LEU 29 Ca 0.23 0.00 -0.51 0.00 -0.12 0.00 0.00 57.88 57.48 3i1z h LEU 29 Cb 0.41 0.00 0.07 0.00 -0.73 0.00 0.00 40.66 40.41 3i1z h LEU 29 CO -0.52 0.00 0.49 -0.32 -0.62 0.00 0.00 178.44 177.47 3i1z s MET 30 N -3.69 3.64 -0.03 1.25 1.75 0.12 -4.94 119.30 117.40 3i1z s MET 30 Ca 0.00 1.79 -0.12 0.00 -1.25 0.00 0.00 55.69 56.11 3i1z s MET 30 Cb 0.10 -2.33 0.02 0.00 2.84 0.00 0.00 34.83 35.46 3i1z s MET 30 CO 0.47 -0.66 0.27 0.54 -0.65 0.00 0.00 175.02 175.00 3i1z s VAL 31 N -1.56 0.05 0.00 10.11 0.11 -1.26 -4.88 120.40 122.97 3i1z s VAL 31 Ca 0.66 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 3i1z s VAL 31 Cb -0.29 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3i1z s VAL 31 CO 0.35 -0.24 0.00 0.47 -3.33 0.00 0.00 175.10 172.34 3i1z n ASP 32 N 1.60 -3.63 0.00 3.54 9.92 -1.26 -2.18 116.55 124.54 3i1z n ASP 32 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 3i1z n ASP 32 Cb 0.56 -2.86 0.00 0.00 -0.64 0.00 0.00 41.12 38.18 3i1z n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1z n GLY 33 N -0.34 2.79 3.46 0.44 0.00 -1.26 -5.02 105.19 105.26 3i1z n GLY 33 Ca 0.00 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 3i1z n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1z n LYS 34 N 0.00 0.71 -0.04 1.61 5.02 -0.93 -4.79 118.16 119.74 3i1z n LYS 34 Ca 0.00 0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.31 3i1z n LYS 34 Cb 0.00 -2.36 -0.14 0.00 -0.02 0.00 0.00 35.03 32.51 3i1z n LYS 34 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i1z n LYS 35 N 8.39 0.66 0.53 1.97 4.81 -1.26 -3.33 118.16 129.93 3i1z n LYS 35 Ca 0.48 0.22 -0.21 0.00 -0.87 0.00 0.00 58.31 57.93 3i1z n LYS 35 Cb 0.23 -1.71 -0.10 0.00 0.02 0.00 0.00 35.03 33.47 3i1z n LYS 35 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3i1z h SER 36 N 0.01 -1.13 -0.68 3.14 0.02 -1.99 0.29 113.55 113.21 3i1z h SER 36 Ca -0.37 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3i1z h SER 36 Cb 2.06 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 64.86 3i1z h SER 36 CO 0.06 -0.80 0.47 0.71 -1.14 0.00 0.00 176.83 176.13 3i1z h THR 37 N -1.35 0.74 0.00 -2.27 1.35 -1.98 0.26 112.91 109.66 3i1z h THR 37 Ca -0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3i1z h THR 37 Cb 1.02 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3i1z h THR 37 CO 0.22 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.53 3i1z n ALA 38 N -2.60 -0.34 -0.34 6.62 0.00 -0.80 -2.29 120.51 120.76 3i1z n ALA 38 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3i1z n ALA 38 Cb 0.62 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.33 3i1z n ALA 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i1z h GLU 39 N 0.00 0.80 -0.76 0.00 4.11 -0.29 -0.19 114.58 118.25 3i1z h GLU 39 Ca 0.00 -0.05 0.17 0.00 0.07 0.00 0.00 59.36 59.55 3i1z h GLU 39 Cb 0.00 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 28.95 3i1z h GLU 39 CO 0.00 0.53 0.18 0.77 0.07 0.00 0.00 179.01 180.56 3i1z h SER 40 N 0.83 -0.01 0.17 3.06 0.02 -0.52 0.03 113.55 117.13 3i1z h SER 40 Ca 0.51 0.16 -0.21 0.00 -0.84 0.00 0.00 61.79 61.41 3i1z h SER 40 Cb 0.66 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3i1z h SER 40 CO -0.33 -0.06 -0.82 0.40 -1.14 0.00 0.00 176.83 174.89 3i1z h ILE 41 N 0.25 1.35 0.46 3.27 2.04 -0.65 -2.63 117.51 121.62 3i1z h ILE 41 Ca 0.43 -2.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.08 3i1z h ILE 41 Cb 0.76 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3i1z h ILE 41 CO -0.54 0.67 -0.22 0.58 0.00 0.00 0.00 178.15 178.64 3i1z h VAL 42 N 0.33 0.54 -0.38 1.67 2.07 0.08 -1.06 116.25 119.50 3i1z h VAL 42 Ca -0.06 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 3i1z h VAL 42 Cb 1.43 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3i1z h VAL 42 CO 0.15 0.02 -0.30 1.88 0.02 0.00 0.00 177.57 179.35 3i1z h TYR 43 N -0.69 0.96 -0.90 1.57 0.05 -1.31 0.10 116.97 116.75 3i1z h TYR 43 Ca -0.06 -0.25 0.05 0.00 0.05 0.00 0.00 58.73 58.52 3i1z h TYR 43 Cb 0.51 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.98 3i1z h TYR 43 CO -0.03 1.01 0.59 1.03 -1.05 0.00 0.00 178.16 179.71 3i1z h SER 44 N 0.70 0.93 0.00 3.88 0.87 -1.40 0.21 113.55 118.74 3i1z h SER 44 Ca 0.08 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3i1z h SER 44 Cb 0.84 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3i1z h SER 44 CO 0.07 0.61 -0.00 0.00 -0.53 0.00 0.00 176.83 176.98 3i1z h ALA 45 N 1.50 -0.01 0.00 6.23 0.00 -0.97 -3.19 119.26 122.81 3i1z h ALA 45 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1z h ALA 45 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i1z h ALA 45 CO -0.13 -0.02 0.25 1.25 0.00 0.00 0.00 179.25 180.60 3i1z h LEU 46 N -0.98 0.00 0.19 0.00 5.85 -0.66 -2.09 115.31 117.63 3i1z h LEU 46 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3i1z h LEU 46 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3i1z h LEU 46 CO 0.00 0.00 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.93 3i1z h GLU 47 N 0.00 -0.25 0.00 1.25 4.57 -0.57 -2.74 114.58 116.84 3i1z h GLU 47 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3i1z h GLU 47 Cb 0.50 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3i1z h GLU 47 CO 0.00 -0.17 0.00 1.79 -1.18 0.00 0.00 179.01 179.45 3i1z h THR 48 N -0.44 0.00 -0.19 0.32 1.35 -1.54 0.41 112.91 112.82 3i1z h THR 48 Ca -0.03 -0.25 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 3i1z h THR 48 Cb 0.20 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3i1z h THR 48 CO 0.04 0.00 -0.38 0.25 -0.25 0.00 0.00 175.52 175.18 3i1z h LEU 49 N 0.00 0.45 -0.42 3.87 7.12 -1.44 0.21 115.31 125.10 3i1z h LEU 49 Ca 0.00 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.71 3i1z h LEU 49 Cb 0.29 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 3i1z h LEU 49 CO 0.00 0.80 -0.16 0.00 -0.13 0.00 0.00 178.44 178.95 3i1z h ALA 50 N 1.23 0.59 0.23 1.25 0.00 -0.60 -2.55 119.26 119.40 3i1z h ALA 50 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3i1z h ALA 50 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i1z h ALA 50 CO 0.07 0.52 -0.11 0.37 0.00 0.00 0.00 179.25 180.10 3i1z h GLN 51 N 0.68 -0.29 -0.14 0.00 4.15 -1.33 0.71 115.11 118.88 3i1z h GLN 51 Ca 0.10 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.58 3i1z h GLN 51 Cb 0.71 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 3i1z h GLN 51 CO 0.05 0.07 0.17 -0.09 -1.93 0.00 0.00 178.83 177.10 3i1z h ARG 52 N -0.74 0.00 0.04 1.69 2.43 -0.63 -2.28 114.38 114.89 3i1z h ARG 52 Ca -0.03 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.76 3i1z h ARG 52 Cb 0.50 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3i1z h ARG 52 CO 0.05 0.00 -2.26 -1.13 -1.51 0.00 0.00 179.97 175.12 3i1z n SER 53 N -3.73 2.01 0.00 -3.80 3.41 -0.96 -4.97 113.62 105.58 3i1z n SER 53 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3i1z n SER 53 Cb 0.28 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3i1z n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1z n GLY 54 N 1.99 2.36 3.40 5.00 0.00 0.24 -4.89 105.19 113.29 3i1z n GLY 54 Ca -0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3i1z n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1z n LYS 55 N -0.33 1.99 0.00 1.61 4.76 -1.26 -4.86 118.16 120.07 3i1z n LYS 55 Ca 0.00 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.95 3i1z n LYS 55 Cb 0.00 -3.46 0.00 0.00 -1.84 0.00 0.00 35.03 29.73 3i1z n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1z n SER 56 N 10.98 0.00 0.00 4.39 2.88 -1.26 -4.39 113.62 126.22 3i1z n SER 56 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 3i1z n SER 56 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 3i1z n SER 56 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1z n GLU 57 N 11.55 0.00 0.34 -1.46 4.07 -1.26 -4.71 120.64 129.17 3i1z n GLU 57 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 3i1z n GLU 57 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 3i1z n GLU 57 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3i1z h LEU 58 N 0.00 -0.83 0.00 4.31 3.38 -1.98 -2.72 115.31 117.47 3i1z h LEU 58 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i1z h LEU 58 Cb 0.00 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i1z h LEU 58 CO 0.00 -0.55 0.00 -1.84 0.09 0.00 0.00 178.44 176.14 3i1z n GLU 59 N -4.54 0.23 0.23 1.13 0.28 -1.26 -2.73 120.64 113.98 3i1z n GLU 59 Ca -0.11 0.03 0.16 0.00 -0.16 0.00 0.00 57.16 57.08 3i1z n GLU 59 Cb 0.36 -1.50 0.82 0.00 1.43 0.00 0.00 31.44 32.55 3i1z n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i1z h ALA 60 N 3.14 1.00 0.02 -1.84 0.00 -1.69 0.61 119.26 120.50 3i1z h ALA 60 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3i1z h ALA 60 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3i1z h ALA 60 CO 0.00 0.00 -2.02 0.34 0.00 0.00 0.00 179.25 177.57 3i1z n PHE 61 N -2.60 0.66 -0.03 0.00 -0.00 -1.10 -4.19 117.46 110.20 3i1z n PHE 61 Ca -0.02 0.21 -0.15 0.00 -0.00 0.00 0.00 57.45 57.50 3i1z n PHE 61 Cb 0.08 -1.11 -0.10 0.00 -0.00 0.00 0.00 39.48 38.35 3i1z n PHE 61 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3i1z h GLU 62 N 0.01 0.29 -0.88 -4.13 4.22 -0.73 -1.67 114.58 111.69 3i1z h GLU 62 Ca -0.41 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 58.79 3i1z h GLU 62 Cb 2.08 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.34 3i1z h GLU 62 CO 0.05 0.90 0.56 0.28 -2.18 0.00 0.00 179.01 178.63 3i1z h VAL 63 N -0.24 1.24 0.00 0.32 2.07 -0.18 0.76 116.25 120.22 3i1z h VAL 63 Ca -0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3i1z h VAL 63 Cb 0.96 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3i1z h VAL 63 CO 0.06 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3i1z h ALA 64 N 1.31 1.00 0.03 1.67 0.00 -1.73 -3.23 119.26 118.32 3i1z h ALA 64 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3i1z h ALA 64 Cb -0.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i1z h ALA 64 CO -0.07 0.00 -0.21 1.25 0.00 0.00 0.00 179.25 180.22 3i1z h LEU 65 N 0.00 0.14 -1.19 0.00 5.85 0.28 -3.31 115.31 117.08 3i1z h LEU 65 Ca 0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 3i1z h LEU 65 Cb 0.75 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3i1z h LEU 65 CO 0.00 1.06 0.00 1.21 -0.34 0.00 0.00 178.44 180.37 3i1z n GLU 66 N -4.50 0.14 0.00 1.25 2.13 0.24 -2.37 120.64 117.52 3i1z n GLU 66 Ca -0.11 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3i1z n GLU 66 Cb 0.55 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3i1z n GLU 66 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3i1z n ASN 67 N -2.19 0.00 -0.31 4.31 3.02 -1.22 -3.79 115.26 115.09 3i1z n ASN 67 Ca -0.01 0.70 0.30 0.00 -0.03 0.00 0.00 54.58 55.55 3i1z n ASN 67 Cb 0.06 -0.44 0.66 0.00 -0.61 0.00 0.00 39.78 39.46 3i1z n ASN 67 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3i1z h VAL 68 N 0.00 0.46 -0.27 2.41 2.07 -1.63 -3.43 116.25 115.85 3i1z h VAL 68 Ca 0.00 -0.05 -0.60 0.00 0.82 0.00 0.00 66.70 66.87 3i1z h VAL 68 Cb 0.00 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3i1z h VAL 68 CO 0.00 0.03 0.81 -1.14 0.02 0.00 0.00 177.57 177.29 3i1z n ARG 69 N -4.35 0.00 0.00 1.57 3.00 -1.00 -4.68 116.66 111.20 3i1z n ARG 69 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 3i1z n ARG 69 Cb 1.09 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 32.44 3i1z n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3i1z n PRO 70 N 4.64 0.68 0.00 -0.14 -0.04 -1.26 -5.06 135.00 133.82 3i1z n PRO 70 Ca 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 3i1z n PRO 70 Cb -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 3i1z n PRO 70 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i1z n THR 71 N -0.65 0.00 -3.86 0.52 -1.04 -1.26 -5.00 114.28 102.99 3i1z n THR 71 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3i1z n THR 71 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 3i1z n THR 71 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1z s VAL 72 N -1.47 0.02 0.00 12.58 -7.23 -1.26 -1.88 120.40 121.16 3i1z s VAL 72 Ca 0.00 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3i1z s VAL 72 Cb 0.00 -0.08 0.00 0.00 0.56 0.00 0.00 36.38 36.86 3i1z s VAL 72 CO 0.00 0.05 0.00 -1.84 -0.31 0.00 0.00 175.10 173.00 3i1z n GLU 73 N 3.58 4.00 -3.66 4.82 0.28 -1.18 -4.27 120.64 124.20 3i1z n GLU 73 Ca -0.19 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.73 3i1z n GLU 73 Cb 0.55 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.34 3i1z n GLU 73 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3i1z s VAL 74 N 1.98 -0.51 -0.27 3.84 -7.23 -1.26 -2.38 120.40 114.57 3i1z s VAL 74 Ca 0.00 0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.22 3i1z s VAL 74 Cb 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.20 3i1z s VAL 74 CO 0.00 0.05 0.04 -0.75 -0.31 0.00 0.00 175.10 174.13 3i1z s LYS 75 N 2.30 3.21 -0.11 4.82 2.20 0.17 -4.91 119.74 127.42 3i1z s LYS 75 Ca -0.05 -0.77 -0.33 0.00 -0.36 0.00 0.00 55.97 54.47 3i1z s LYS 75 Cb -0.11 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 3i1z s LYS 75 CO -0.14 -0.35 1.97 0.43 -0.36 0.00 0.00 175.35 176.90 3i1z n SER 76 N 4.84 3.46 -0.10 1.43 7.64 -1.26 -2.42 113.62 127.21 3i1z n SER 76 Ca -0.16 0.81 -0.19 0.00 1.01 0.00 0.00 58.87 60.34 3i1z n SER 76 Cb 0.49 -1.42 -0.11 0.00 -1.01 0.00 0.00 64.21 62.17 3i1z n SER 76 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3i1z h ARG 77 N 10.53 0.00 -5.78 1.43 2.47 -1.79 -3.48 114.38 117.76 3i1z h ARG 77 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3i1z h ARG 77 Cb 1.27 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.55 3i1z h ARG 77 CO 0.96 0.92 -0.67 0.54 0.56 0.00 0.00 179.97 182.27 3i1z n ARG 78 N -4.47 -2.29 0.00 0.04 5.12 0.18 -5.01 116.66 110.23 3i1z n ARG 78 Ca -0.27 1.94 0.00 0.00 -1.93 0.00 0.00 57.85 57.59 3i1z n ARG 78 Cb 0.62 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 3i1z n ARG 78 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i1z n VAL 79 N 2.01 0.00 -3.10 1.55 0.31 0.22 -4.96 118.33 114.35 3i1z n VAL 79 Ca -0.12 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.76 3i1z n VAL 79 Cb 0.26 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3i1z n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1z n GLY 80 N 4.73 3.98 2.80 2.92 0.00 -1.26 -4.54 105.19 113.82 3i1z n GLY 80 Ca 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 46.02 43.67 3i1z n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 81 N 3.14 0.24 2.88 -0.02 0.00 -1.26 -4.93 105.19 105.23 3i1z n GLY 81 Ca 0.30 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 3i1z n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1z s SER 82 N -2.08 1.03 0.11 1.61 0.01 -1.26 -5.05 113.70 108.07 3i1z s SER 82 Ca 0.00 -0.12 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 3i1z s SER 82 Cb 0.00 -0.45 -0.09 0.00 0.21 0.00 0.00 66.02 65.69 3i1z s SER 82 CO 0.00 -0.07 1.76 0.74 0.41 0.00 0.00 173.24 176.08 3i1z h THR 83 N 6.17 1.04 -1.61 1.44 2.02 -1.92 0.64 112.91 120.68 3i1z h THR 83 Ca -0.36 -0.09 -0.26 0.00 0.77 0.00 0.00 66.41 66.48 3i1z h THR 83 Cb 1.15 0.83 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 3i1z h THR 83 CO 0.44 0.04 -0.24 -1.22 0.37 0.00 0.00 175.52 174.91 3i1z n TYR 84 N -4.98 -0.49 -1.71 3.16 4.01 -1.26 0.51 117.16 116.40 3i1z n TYR 84 Ca -0.04 0.00 -0.56 0.00 -0.16 0.00 0.00 57.90 57.14 3i1z n TYR 84 Cb 0.03 -2.53 -0.07 0.00 -0.31 0.00 0.00 39.34 36.47 3i1z n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1z n GLN 85 N -1.92 1.36 -3.73 -0.72 10.64 -1.26 -4.62 117.38 117.13 3i1z n GLN 85 Ca -0.13 0.50 -0.30 0.00 -1.83 0.00 0.00 57.00 55.24 3i1z n GLN 85 Cb 0.43 -2.22 -0.04 0.00 -0.86 0.00 0.00 30.24 27.56 3i1z n GLN 85 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3i1z s VAL 86 N 3.70 5.23 -0.36 -0.39 1.01 -1.01 -4.84 120.40 123.73 3i1z s VAL 86 Ca 0.97 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 3i1z s VAL 86 Cb -1.00 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 31.72 3i1z s VAL 86 CO 0.63 -0.02 0.70 -2.16 0.00 0.00 0.00 175.10 174.25 3i1z s PRO 87 N -2.89 3.71 0.25 2.72 0.04 -1.26 0.46 135.00 138.03 3i1z s PRO 87 Ca 0.39 0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 3i1z s PRO 87 Cb -0.12 -3.81 0.05 0.00 0.04 0.00 0.00 34.50 30.66 3i1z s PRO 87 CO 0.27 -0.78 0.34 1.55 0.04 0.00 0.00 177.00 178.42 3i1z n VAL 88 N 5.66 0.00 -4.90 -0.36 3.14 -1.00 -4.79 118.33 116.08 3i1z n VAL 88 Ca 0.01 -0.46 -0.33 0.00 -2.96 0.00 0.00 64.34 60.60 3i1z n VAL 88 Cb 0.48 -1.35 -0.13 0.00 -1.06 0.00 0.00 33.84 31.78 3i1z n VAL 88 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3i1z s GLU 89 N -3.38 2.62 0.21 1.45 8.01 -1.26 -3.12 118.70 123.23 3i1z s GLU 89 Ca 0.22 -0.71 -0.10 0.00 0.01 0.00 0.00 54.97 54.38 3i1z s GLU 89 Cb -0.01 -2.40 -0.07 0.00 -4.31 0.00 0.00 34.13 27.34 3i1z s GLU 89 CO 0.14 0.56 0.55 0.54 0.01 0.00 0.00 175.26 177.06 3i1z s VAL 90 N -0.56 4.92 0.19 2.63 0.11 -0.79 -4.90 120.40 122.01 3i1z s VAL 90 Ca 0.08 0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 59.52 3i1z s VAL 90 Cb -0.11 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 31.03 3i1z s VAL 90 CO 0.01 -0.02 0.59 -0.13 -3.33 0.00 0.00 175.10 172.22 3i1z s ARG 91 N -2.67 3.96 0.00 1.54 0.52 -1.26 -4.93 118.95 116.11 3i1z s ARG 91 Ca 0.46 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 3i1z s ARG 91 Cb -0.12 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.55 3i1z s ARG 91 CO 0.21 0.39 0.76 -2.30 0.02 0.00 0.00 175.30 174.38 3i1z n PRO 92 N 0.42 0.42 0.00 3.54 -0.02 -1.26 -1.49 135.00 136.61 3i1z n PRO 92 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3i1z n PRO 92 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3i1z n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i1z n VAL 93 N 1.59 0.00 0.24 -1.45 0.24 -1.26 -4.74 118.33 112.95 3i1z n VAL 93 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 3i1z n VAL 93 Cb 0.21 -0.36 0.53 0.00 -1.47 0.00 0.00 33.84 32.76 3i1z n VAL 93 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3i1z h ARG 94 N 0.00 0.00 0.00 7.34 2.43 -1.81 -3.30 114.38 119.04 3i1z h ARG 94 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1z h ARG 94 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i1z h ARG 94 CO 0.00 0.13 0.00 -2.13 -1.51 0.00 0.00 179.97 176.46 3i1z n ARG 95 N -3.27 0.00 -0.10 0.20 0.63 -0.56 -0.64 116.66 112.91 3i1z n ARG 95 Ca 0.00 0.33 -0.03 0.00 -0.92 0.00 0.00 57.85 57.24 3i1z n ARG 95 Cb 0.39 -1.16 -0.02 0.00 0.45 0.00 0.00 32.46 32.12 3i1z n ARG 95 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3i1z n ASN 96 N -1.20 -0.26 -0.35 6.15 6.94 -1.26 -1.49 115.26 123.79 3i1z n ASN 96 Ca 0.00 1.01 0.10 0.00 -0.02 0.00 0.00 54.58 55.67 3i1z n ASN 96 Cb 0.00 -0.34 0.21 0.00 -2.36 0.00 0.00 39.78 37.28 3i1z n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i1z n ALA 97 N -2.99 0.36 0.28 -2.53 0.00 -1.12 0.13 120.51 114.64 3i1z n ALA 97 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 53.44 54.37 3i1z n ALA 97 Cb 0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 3i1z n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i1z h LEU 98 N 0.00 -0.67 -0.90 0.00 3.38 0.04 0.10 115.31 117.26 3i1z h LEU 98 Ca 0.53 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.69 3i1z h LEU 98 Cb 0.96 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 3i1z h LEU 98 CO -0.99 -0.44 0.50 0.00 0.09 0.00 0.00 178.44 177.61 3i1z h ALA 99 N -0.21 1.39 -0.22 1.53 0.00 0.21 -1.61 119.26 120.36 3i1z h ALA 99 Ca -0.06 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3i1z h ALA 99 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i1z h ALA 99 CO 0.07 -0.04 -0.10 0.52 0.00 0.00 0.00 179.25 179.70 3i1z h MET 100 N 0.70 0.46 -0.32 0.00 2.86 0.14 -2.50 114.93 116.27 3i1z h MET 100 Ca 0.49 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3i1z h MET 100 Cb 0.68 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3i1z h MET 100 CO -0.35 0.73 0.18 -0.09 1.06 0.00 0.00 176.91 178.44 3i1z h ARG 101 N 0.17 0.36 -0.94 1.72 2.43 -0.49 -0.91 114.38 116.72 3i1z h ARG 101 Ca 0.05 -0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.39 3i1z h ARG 101 Cb 0.59 -0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.95 3i1z h ARG 101 CO 0.03 0.24 0.52 -1.49 -1.51 0.00 0.00 179.97 177.76 3i1z h TRP 102 N 0.37 0.90 -0.24 2.20 6.55 -1.18 0.42 115.95 124.97 3i1z h TRP 102 Ca 0.13 0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.95 3i1z h TRP 102 Cb 0.01 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 3i1z h TRP 102 CO -0.08 0.15 -0.05 0.82 -1.05 0.00 0.00 178.44 178.24 3i1z h ILE 103 N 0.64 1.28 -0.32 1.49 2.04 -0.92 0.19 117.51 121.91 3i1z h ILE 103 Ca 0.55 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.41 3i1z h ILE 103 Cb 0.88 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3i1z h ILE 103 CO -0.41 0.32 0.12 0.58 0.00 0.00 0.00 178.15 178.76 3i1z h VAL 104 N 0.20 0.92 0.21 1.67 2.07 0.27 -2.45 116.25 119.15 3i1z h VAL 104 Ca 0.06 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3i1z h VAL 104 Cb 0.50 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3i1z h VAL 104 CO 0.02 0.05 -0.10 -0.08 0.02 0.00 0.00 177.57 177.48 3i1z h GLU 105 N 0.26 -0.27 -0.47 1.57 4.22 -0.16 -2.83 114.58 116.89 3i1z h GLU 105 Ca 0.14 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.70 3i1z h GLU 105 Cb 0.11 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 3i1z h GLU 105 CO -0.14 0.01 -0.12 0.00 -2.18 0.00 0.00 179.01 176.58 3i1z h ALA 106 N 0.17 0.31 -0.93 2.92 0.00 -0.56 0.29 119.26 121.47 3i1z h ALA 106 Ca -0.03 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3i1z h ALA 106 Cb 0.41 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3i1z h ALA 106 CO 0.05 -0.44 0.56 0.00 0.00 0.00 0.00 179.25 179.42 3i1z h ALA 107 N 1.47 1.35 0.00 0.00 0.00 -1.46 0.63 119.26 121.26 3i1z h ALA 107 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i1z h ALA 107 Cb 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i1z h ALA 107 CO -0.49 0.19 -0.04 -0.09 0.00 0.00 0.00 179.25 178.83 3i1z h ARG 108 N 0.92 0.00 -0.09 0.00 9.65 -0.32 -1.17 114.38 123.38 3i1z h ARG 108 Ca 0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.33 3i1z h ARG 108 Cb 0.40 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3i1z h ARG 108 CO -0.25 0.04 0.00 1.63 2.80 0.00 0.00 179.97 184.19 3i1z n LYS 109 N -3.18 1.65 -2.11 0.20 4.76 0.21 -4.94 118.16 114.76 3i1z n LYS 109 Ca -0.00 -0.97 -0.25 0.00 -2.87 0.00 0.00 58.31 54.22 3i1z n LYS 109 Cb 0.27 -1.44 0.15 0.00 -1.84 0.00 0.00 35.03 32.18 3i1z n LYS 109 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3i1z n ARG 110 N 0.18 -0.67 -2.49 1.97 0.63 -0.45 -5.05 116.66 110.79 3i1z n ARG 110 Ca 0.18 -2.24 -0.01 0.00 -0.92 0.00 0.00 57.85 54.86 3i1z n ARG 110 Cb 0.33 -0.97 0.05 0.00 0.45 0.00 0.00 32.46 32.31 3i1z n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1z n GLY 111 N -2.72 1.98 0.00 5.14 0.00 -1.26 -5.05 105.19 103.28 3i1z n GLY 111 Ca 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3i1z n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1z n ASP 112 N -0.40 0.00 0.00 1.61 10.43 -1.26 -5.11 116.55 121.81 3i1z n ASP 112 Ca 0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.45 3i1z n ASP 112 Cb 0.88 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.84 3i1z n ASP 112 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1z n LYS 113 N 0.00 0.00 -2.96 -1.24 4.76 -1.26 -5.07 118.16 112.40 3i1z n LYS 113 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 3i1z n LYS 113 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 3i1z n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1z s SER 114 N 1.00 7.22 0.47 4.39 0.15 -1.26 -4.93 113.70 120.75 3i1z s SER 114 Ca 0.00 1.62 0.29 0.00 0.70 0.00 0.00 55.95 58.56 3i1z s SER 114 Cb 0.00 -2.50 1.37 0.00 -1.71 0.00 0.00 66.02 63.18 3i1z s SER 114 CO 0.00 0.02 1.77 -0.03 1.20 0.00 0.00 173.24 176.20 3i1z h MET 115 N 3.47 0.16 0.20 5.44 4.05 -1.98 -0.63 114.93 125.64 3i1z h MET 115 Ca -0.47 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3i1z h MET 115 Cb 1.19 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3i1z h MET 115 CO 0.65 0.11 -0.10 0.00 0.23 0.00 0.00 176.91 177.80 3i1z h ALA 116 N 1.50 -0.27 -0.42 0.39 0.00 -1.93 0.47 119.26 119.00 3i1z h ALA 116 Ca 0.61 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.48 3i1z h ALA 116 Cb 2.04 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 3i1z h ALA 116 CO -0.17 -0.56 -0.10 -0.07 0.00 0.00 0.00 179.25 178.35 3i1z h LEU 117 N -0.46 -0.38 -0.41 0.00 3.38 -1.51 0.73 115.31 116.66 3i1z h LEU 117 Ca -0.03 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3i1z h LEU 117 Cb 0.35 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3i1z h LEU 117 CO 0.05 -0.14 0.03 0.03 0.09 0.00 0.00 178.44 178.50 3i1z h ARG 118 N 0.00 0.13 0.40 1.13 3.08 -1.22 0.14 114.38 118.04 3i1z h ARG 118 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3i1z h ARG 118 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3i1z h ARG 118 CO -0.43 0.09 -0.30 1.25 -1.07 0.00 0.00 179.97 179.52 3i1z h LEU 119 N 0.14 -0.77 0.00 3.04 6.46 0.18 -1.67 115.31 122.70 3i1z h LEU 119 Ca 0.20 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3i1z h LEU 119 Cb 0.28 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 3i1z h LEU 119 CO -0.31 -0.45 0.00 0.00 -0.62 0.00 0.00 178.44 177.06 3i1z n ALA 120 N -2.54 -0.03 -0.29 1.25 0.00 0.24 0.66 120.51 119.80 3i1z n ALA 120 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 3i1z n ALA 120 Cb 0.32 0.35 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 3i1z n ALA 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i1z h ASN 121 N 0.00 -1.66 -0.12 0.00 -0.26 -0.93 1.21 115.58 113.82 3i1z h ASN 121 Ca 0.00 0.28 0.05 0.00 -0.56 0.00 0.00 56.30 56.06 3i1z h ASN 121 Cb 0.00 0.76 -0.06 0.00 -1.06 0.00 0.00 38.32 37.97 3i1z h ASN 121 CO 0.00 -0.31 -0.27 -0.33 -1.06 0.00 0.00 177.43 175.46 3i1z h GLU 122 N -0.14 -0.34 -0.24 0.81 4.39 -1.15 1.87 114.58 119.79 3i1z h GLU 122 Ca 0.20 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.98 3i1z h GLU 122 Cb 0.54 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 3i1z h GLU 122 CO -0.80 -0.22 -0.39 1.25 -1.16 0.00 0.00 179.01 177.68 3i1z h LEU 123 N -0.35 -1.26 -0.84 1.33 7.12 0.37 0.28 115.31 121.97 3i1z h LEU 123 Ca 0.10 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.27 3i1z h LEU 123 Cb 0.49 0.53 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 3i1z h LEU 123 CO -0.32 -0.39 0.44 -1.28 -0.13 0.00 0.00 178.44 176.76 3i1z h SER 124 N -0.40 1.06 -0.85 1.25 0.87 0.19 -2.50 113.55 113.17 3i1z h SER 124 Ca 0.11 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3i1z h SER 124 Cb 0.59 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 3i1z h SER 124 CO -0.45 0.87 0.47 -0.78 -0.53 0.00 0.00 176.83 176.41 3i1z h ASP 125 N 1.17 1.07 0.40 6.23 -0.00 0.39 -1.83 116.42 123.86 3i1z h ASP 125 Ca 0.29 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.20 3i1z h ASP 125 Cb 0.06 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.12 3i1z h ASP 125 CO -0.04 0.85 -0.17 0.00 -0.00 0.00 0.00 179.24 179.88 3i1z h ALA 126 N 1.32 1.31 0.25 -0.78 0.00 -0.03 -2.86 119.26 118.47 3i1z h ALA 126 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i1z h ALA 126 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i1z h ALA 126 CO -0.05 0.21 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 3i1z h ALA 127 N 1.83 -0.49 -0.26 0.00 0.00 -1.13 -0.60 119.26 118.61 3i1z h ALA 127 Ca -0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 3i1z h ALA 127 Cb 0.42 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3i1z h ALA 127 CO 0.02 -0.80 0.19 -0.85 0.00 0.00 0.00 179.25 177.81 3i1z n GLU 128 N -5.36 1.59 -2.07 0.00 0.28 -1.10 -4.84 120.64 109.14 3i1z n GLU 128 Ca -0.09 -1.02 -0.01 0.00 -0.16 0.00 0.00 57.16 55.89 3i1z n GLU 128 Cb 0.27 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.66 3i1z n GLU 128 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3i1z n ASN 129 N 1.01 -0.15 -2.68 -1.84 6.94 -0.23 -4.85 115.26 113.47 3i1z n ASN 129 Ca 0.22 -0.02 -0.06 0.00 -0.02 0.00 0.00 54.58 54.70 3i1z n ASN 129 Cb 0.58 -0.05 0.09 0.00 -2.36 0.00 0.00 39.78 38.04 3i1z n ASN 129 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3i1z n LYS 130 N -0.38 0.99 -4.48 -3.83 2.85 -1.11 -5.03 118.16 107.16 3i1z n LYS 130 Ca -0.01 -1.54 -0.30 0.00 -1.05 0.00 0.00 58.31 55.41 3i1z n LYS 130 Cb 0.02 -0.01 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 3i1z n LYS 130 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i1z n GLY 131 N -0.62 3.57 0.37 2.58 0.00 -1.26 -4.85 105.19 104.97 3i1z n GLY 131 Ca -0.09 -2.33 0.05 0.00 0.00 0.00 0.00 46.02 43.65 3i1z n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i1z h THR 132 N 1.29 1.02 0.51 2.61 2.02 -1.95 -2.84 112.91 115.58 3i1z h THR 132 Ca -0.38 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3i1z h THR 132 Cb 1.19 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3i1z h THR 132 CO 0.63 0.18 -0.25 0.00 0.37 0.00 0.00 175.52 176.46 3i1z h ALA 133 N 1.52 -0.69 -0.21 6.16 0.00 -1.95 -2.87 119.26 121.21 3i1z h ALA 133 Ca 0.41 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3i1z h ALA 133 Cb 0.30 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i1z h ALA 133 CO -0.17 -0.69 0.38 -0.39 0.00 0.00 0.00 179.25 178.38 3i1z h VAL 134 N -1.09 0.21 -0.26 0.00 -1.51 -1.92 0.72 116.25 112.42 3i1z h VAL 134 Ca -0.07 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.34 3i1z h VAL 134 Cb 0.60 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 3i1z h VAL 134 CO 0.12 0.00 -0.07 0.50 -1.23 0.00 0.00 177.57 176.89 3i1z h LYS 135 N 0.00 0.50 -0.54 5.19 1.63 -1.29 -2.45 116.57 119.61 3i1z h LYS 135 Ca 0.10 -0.20 0.12 0.00 -0.85 0.00 0.00 60.65 59.83 3i1z h LYS 135 Cb 0.87 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 3i1z h LYS 135 CO -0.00 0.72 0.37 -0.22 -3.45 0.00 0.00 179.45 176.88 3i1z h LYS 136 N 0.24 0.17 -0.44 1.90 1.63 0.64 0.21 116.57 120.94 3i1z h LYS 136 Ca 0.06 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3i1z h LYS 136 Cb 0.54 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 3i1z h LYS 136 CO 0.03 0.11 0.14 -0.09 -3.45 0.00 0.00 179.45 176.19 3i1z h ARG 137 N 0.18 0.68 -2.11 1.90 2.43 -1.02 -2.54 114.38 113.91 3i1z h ARG 137 Ca 0.26 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 3i1z h ARG 137 Cb 0.77 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3i1z h ARG 137 CO -0.04 0.66 -0.19 0.39 -1.51 0.00 0.00 179.97 179.28 3i1z n GLU 138 N -4.56 1.47 0.13 0.20 -0.58 0.74 -2.92 120.64 115.12 3i1z n GLU 138 Ca 0.00 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 3i1z n GLU 138 Cb 0.18 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 3i1z n GLU 138 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i1z n ASP 139 N 2.30 -0.58 0.33 1.62 10.43 -0.97 -4.55 116.55 125.12 3i1z n ASP 139 Ca 0.27 0.46 0.21 0.00 2.57 0.00 0.00 54.79 58.30 3i1z n ASP 139 Cb 0.69 0.73 1.11 0.00 1.84 0.00 0.00 41.12 45.49 3i1z n ASP 139 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3i1z h VAL 140 N 0.00 0.05 0.00 2.53 2.07 -1.54 0.98 116.25 120.35 3i1z h VAL 140 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 3i1z h VAL 140 Cb 0.00 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3i1z h VAL 140 CO 0.00 0.00 -1.48 0.45 0.02 0.00 0.00 177.57 176.56 3i1z h HIS 141 N 0.00 0.00 0.15 1.57 3.86 -1.71 -3.18 115.15 115.84 3i1z h HIS 141 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3i1z h HIS 141 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3i1z h HIS 141 CO 0.00 0.72 -0.07 0.00 0.86 0.00 0.00 177.93 179.44 3i1z h ARG 142 N 0.00 -0.19 -0.59 2.45 2.47 0.41 -3.25 114.38 115.68 3i1z h ARG 142 Ca -0.20 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.65 3i1z h ARG 142 Cb 1.72 0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 29.97 3i1z h ARG 142 CO 0.06 0.25 -0.16 1.98 0.56 0.00 0.00 179.97 182.66 3i1z h MET 143 N -0.86 -0.01 0.00 0.04 4.05 0.02 -3.35 114.93 114.82 3i1z h MET 143 Ca -0.02 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 3i1z h MET 143 Cb 0.53 0.00 0.06 0.00 -0.80 0.00 0.00 31.60 31.39 3i1z h MET 143 CO 0.03 -0.01 0.13 0.00 0.23 0.00 0.00 176.91 177.30 3i1z n ALA 144 N -3.01 -0.57 -0.25 0.39 0.00 -1.20 -2.57 120.51 113.30 3i1z n ALA 144 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3i1z n ALA 144 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3i1z n ALA 144 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1z n GLU 145 N -2.00 -1.79 0.00 0.00 2.13 -1.25 -4.49 120.64 113.24 3i1z n GLU 145 Ca 0.05 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.99 3i1z n GLU 145 Cb 0.19 -3.03 0.00 0.00 0.27 0.00 0.00 31.44 28.87 3i1z n GLU 145 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1z n ALA 146 N 0.34 1.01 0.00 4.31 0.00 -1.23 -4.64 120.51 120.30 3i1z n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1z n ALA 146 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3i1z n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1z n ASN 147 N -0.42 0.00 0.02 0.00 5.03 -1.06 -2.54 115.26 116.30 3i1z n ASN 147 Ca 0.00 0.17 0.22 0.00 0.87 0.00 0.00 54.58 55.84 3i1z n ASN 147 Cb 0.00 -0.17 0.69 0.00 -1.02 0.00 0.00 39.78 39.28 3i1z n ASN 147 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3i1z h LYS 148 N 0.00 0.00 0.00 3.52 3.64 -1.82 0.42 116.57 122.33 3i1z h LYS 148 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1z h LYS 148 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3i1z h LYS 148 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3i1z n ALA 149 N -2.32 1.59 -1.12 5.00 0.00 -1.05 0.02 120.51 122.63 3i1z n ALA 149 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.58 3i1z n ALA 149 Cb 0.81 -1.03 0.24 0.00 0.00 0.00 0.00 19.45 19.48 3i1z n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i1z n PHE 150 N -0.80 1.05 0.47 0.00 3.01 0.15 -5.15 117.46 116.19 3i1z n PHE 150 Ca 0.01 -1.10 0.04 0.00 1.01 0.00 0.00 57.45 57.41 3i1z n PHE 150 Cb 0.01 -0.38 0.22 0.00 -0.01 0.00 0.00 39.48 39.32 3i1z n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77