#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z s GLN 4 N 0.00 0.91 -0.40 1.20 -1.52 -1.26 -5.04 119.66 113.55 3i1z s GLN 4 Ca 0.00 -0.50 -0.02 0.00 -1.95 0.00 0.00 55.36 52.89 3i1z s GLN 4 Cb 0.00 0.40 0.11 0.00 -0.22 0.00 0.00 33.01 33.30 3i1z s GLN 4 CO 0.00 -0.31 0.18 0.71 -0.25 0.00 0.00 175.29 175.62 3i1z s TYR 5 N -2.82 3.59 0.34 0.91 1.51 -1.19 -4.99 117.35 114.70 3i1z s TYR 5 Ca -0.03 -2.43 -0.07 0.00 -1.01 0.00 0.00 57.07 53.52 3i1z s TYR 5 Cb -0.00 -3.15 -0.06 0.00 -0.11 0.00 0.00 41.96 38.64 3i1z s TYR 5 CO -0.05 -0.96 0.64 -0.47 -1.11 0.00 0.00 175.55 173.60 3i1z s TYR 6 N 1.13 3.47 -0.21 2.71 6.14 -1.26 -2.35 117.35 126.98 3i1z s TYR 6 Ca 0.08 0.81 -0.09 0.00 0.64 0.00 0.00 57.07 58.51 3i1z s TYR 6 Cb -0.22 -2.24 0.09 0.00 0.42 0.00 0.00 41.96 40.00 3i1z s TYR 6 CO -0.04 0.06 0.47 0.20 0.64 0.00 0.00 175.55 176.87 3i1z s GLY 7 N -3.17 -0.43 0.00 8.97 0.00 -1.00 -4.39 107.32 107.30 3i1z s GLY 7 Ca 0.47 1.70 0.00 0.00 0.00 0.00 0.00 44.72 46.89 3i1z s GLY 7 CO 0.31 2.34 0.12 2.41 0.00 0.00 0.00 173.10 178.27 3i1z n THR 8 N 5.06 0.00 -1.48 0.90 -1.04 -1.26 -1.23 114.28 115.23 3i1z n THR 8 Ca -0.13 0.54 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 3i1z n THR 8 Cb 0.51 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3i1z n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1z n GLY 9 N 0.32 -4.73 3.34 3.41 0.00 -1.26 -3.61 105.19 102.66 3i1z n GLY 9 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 3i1z n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1z s ARG 10 N -2.03 0.74 -0.25 1.61 1.70 -1.26 -2.02 118.95 117.44 3i1z s ARG 10 Ca 0.00 0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 3i1z s ARG 10 Cb 0.00 0.34 0.10 0.00 -0.57 0.00 0.00 34.95 34.82 3i1z s ARG 10 CO 0.00 -0.19 0.17 0.50 -1.08 0.00 0.00 175.30 174.70 3i1z s ARG 11 N -0.90 0.19 -0.32 3.89 6.06 -0.19 -4.71 118.95 122.97 3i1z s ARG 11 Ca -0.10 -0.20 -0.07 0.00 -2.50 0.00 0.00 55.73 52.86 3i1z s ARG 11 Cb -0.03 -1.22 0.01 0.00 0.06 0.00 0.00 34.95 33.77 3i1z s ARG 11 CO 0.05 -0.87 0.22 1.17 -2.50 0.00 0.00 175.30 173.37 3i1z n LYS 12 N 5.28 -2.77 0.00 5.12 4.81 -1.26 -3.11 118.16 126.23 3i1z n LYS 12 Ca -0.05 2.33 0.00 0.00 -0.87 0.00 0.00 58.31 59.71 3i1z n LYS 12 Cb 0.46 -4.88 0.00 0.00 0.02 0.00 0.00 35.03 30.63 3i1z n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1z n SER 13 N 0.40 0.00 -4.52 3.14 2.88 -1.26 -4.34 113.62 109.92 3i1z n SER 13 Ca 0.03 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.14 3i1z n SER 13 Cb 0.23 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 3i1z n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1z s SER 14 N -1.10 6.33 -0.24 -3.46 0.01 -1.18 -3.58 113.70 110.48 3i1z s SER 14 Ca 0.00 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 3i1z s SER 14 Cb 0.00 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 3i1z s SER 14 CO 0.00 -0.75 0.19 0.00 0.41 0.00 0.00 173.24 173.08 3i1z s ALA 15 N 2.80 3.60 -0.32 1.44 0.00 -0.08 -1.02 121.76 128.18 3i1z s ALA 15 Ca 0.23 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3i1z s ALA 15 Cb -0.14 -2.38 0.10 0.00 0.00 0.00 0.00 23.12 20.70 3i1z s ALA 15 CO 0.18 -0.26 0.06 0.00 0.00 0.00 0.00 175.76 175.75 3i1z s ALA 16 N 1.19 2.20 0.02 0.00 0.00 -0.86 -1.52 121.76 122.79 3i1z s ALA 16 Ca 0.08 -2.04 -0.24 0.00 0.00 0.00 0.00 51.96 49.76 3i1z s ALA 16 Cb -0.14 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 3i1z s ALA 16 CO 0.06 -1.64 0.72 -0.98 0.00 0.00 0.00 175.76 173.92 3i1z s ARG 17 N 1.27 4.45 0.04 0.00 1.70 -1.18 -4.35 118.95 120.89 3i1z s ARG 17 Ca 0.09 0.97 0.09 0.00 -0.47 0.00 0.00 55.73 56.41 3i1z s ARG 17 Cb -0.18 -3.36 -0.03 0.00 -0.57 0.00 0.00 34.95 30.81 3i1z s ARG 17 CO -0.16 0.29 -0.25 0.08 -1.08 0.00 0.00 175.30 174.18 3i1z s VAL 18 N -0.03 2.06 -0.22 4.99 1.01 -0.37 -3.18 120.40 124.66 3i1z s VAL 18 Ca 0.36 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3i1z s VAL 18 Cb -0.20 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.47 3i1z s VAL 18 CO 0.21 0.35 -0.09 -0.36 0.00 0.00 0.00 175.10 175.22 3i1z s PHE 19 N -0.79 2.53 -0.13 5.22 0.08 -0.68 -2.37 117.98 121.84 3i1z s PHE 19 Ca 0.11 -1.76 -0.17 0.00 0.12 0.00 0.00 56.93 55.23 3i1z s PHE 19 Cb -0.10 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3i1z s PHE 19 CO 0.02 -0.77 0.44 0.42 -0.10 0.00 0.00 175.22 175.23 3i1z s ILE 20 N 1.35 5.21 -0.01 0.64 1.01 -0.99 -1.03 121.20 127.39 3i1z s ILE 20 Ca -0.04 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 3i1z s ILE 20 Cb -0.18 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3i1z s ILE 20 CO -0.07 0.33 0.02 -0.75 0.00 0.00 0.00 174.94 174.47 3i1z s LYS 21 N 0.65 0.01 -0.54 2.79 2.36 -0.37 -3.19 119.74 121.45 3i1z s LYS 21 Ca 0.24 0.04 -0.26 0.00 -2.55 0.00 0.00 55.97 53.44 3i1z s LYS 21 Cb -0.15 -0.02 -0.07 0.00 -1.05 0.00 0.00 37.83 36.55 3i1z s LYS 21 CO 0.09 -0.02 2.33 -1.25 1.55 0.00 0.00 175.35 178.05 3i1z s PRO 22 N 0.12 2.13 0.00 4.03 0.04 -1.26 0.14 135.00 140.20 3i1z s PRO 22 Ca -0.01 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3i1z s PRO 22 Cb -0.01 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 29.94 3i1z s PRO 22 CO -0.00 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.13 3i1z n GLY 23 N 6.05 2.79 3.72 0.56 0.00 -1.06 -4.79 105.19 112.45 3i1z n GLY 23 Ca 0.35 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 3i1z n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1z s ASN 24 N 1.94 5.09 0.00 1.61 0.01 -1.26 -1.92 114.94 120.42 3i1z s ASN 24 Ca 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 3i1z s ASN 24 Cb 0.00 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.45 3i1z s ASN 24 CO 0.00 0.10 0.10 0.61 -1.51 0.00 0.00 177.10 176.41 3i1z n GLY 25 N -0.02 0.02 3.10 0.66 0.00 -0.83 -0.90 105.19 107.23 3i1z n GLY 25 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3i1z n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i1z n LYS 26 N -0.06 -3.87 -4.00 1.61 2.85 -1.26 -4.88 118.16 108.55 3i1z n LYS 26 Ca 0.00 -1.49 -0.08 0.00 -1.05 0.00 0.00 58.31 55.69 3i1z n LYS 26 Cb 0.02 -1.65 -0.10 0.00 -0.65 0.00 0.00 35.03 32.65 3i1z n LYS 26 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3i1z s ILE 27 N -2.43 0.17 -0.07 0.58 1.09 -1.26 -3.64 121.20 115.64 3i1z s ILE 27 Ca 0.64 -1.37 0.16 0.00 -1.10 0.00 0.00 60.65 58.98 3i1z s ILE 27 Cb -0.09 -1.09 0.33 0.00 -1.06 0.00 0.00 42.46 40.55 3i1z s ILE 27 CO 0.51 -0.76 1.15 0.52 -0.10 0.00 0.00 174.94 176.26 3i1z n VAL 28 N 0.55 0.77 -1.65 2.92 0.31 -1.14 -4.64 118.33 115.46 3i1z n VAL 28 Ca -0.17 -1.52 -0.50 0.00 -0.01 0.00 0.00 64.34 62.13 3i1z n VAL 28 Cb 0.59 0.45 -0.05 0.00 -0.91 0.00 0.00 33.84 33.92 3i1z n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1z n ILE 29 N -0.22 0.12 -3.97 2.52 3.06 -0.94 -0.99 119.36 118.94 3i1z n ILE 29 Ca 0.09 -0.02 -0.33 0.00 -2.50 0.00 0.00 62.75 59.99 3i1z n ILE 29 Cb 0.89 -1.27 0.00 0.00 0.54 0.00 0.00 39.64 39.80 3i1z n ILE 29 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3i1z n ASN 30 N 3.78 -2.46 -4.36 9.51 4.13 0.11 0.51 115.26 126.48 3i1z n ASN 30 Ca 0.20 -0.95 -0.36 0.00 1.68 0.00 0.00 54.58 55.15 3i1z n ASN 30 Cb 0.23 -1.15 -0.08 0.00 -1.54 0.00 0.00 39.78 37.25 3i1z n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1z n GLN 31 N -3.92 -1.29 -3.45 3.52 6.02 -0.16 -4.91 117.38 113.19 3i1z n GLN 31 Ca -0.10 0.17 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 3i1z n GLN 31 Cb 0.42 -4.26 -0.03 0.00 1.02 0.00 0.00 30.24 27.40 3i1z n GLN 31 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i1z s ARG 32 N -7.21 1.17 1.12 -1.09 3.52 0.18 -5.10 118.95 111.53 3i1z s ARG 32 Ca 0.40 -0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 55.52 3i1z s ARG 32 Cb -0.23 0.54 0.15 0.00 -1.56 0.00 0.00 34.95 33.85 3i1z s ARG 32 CO 0.99 -0.49 0.15 0.45 -0.81 0.00 0.00 175.30 175.59 3i1z n SER 33 N -0.10 -2.69 0.15 -2.12 2.88 -1.26 -2.21 113.62 108.27 3i1z n SER 33 Ca -0.16 -0.26 0.13 0.00 -1.33 0.00 0.00 58.87 57.25 3i1z n SER 33 Cb 0.63 -0.90 0.40 0.00 -0.75 0.00 0.00 64.21 63.59 3i1z n SER 33 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3i1z h LEU 34 N -2.37 0.00 -1.03 2.46 5.85 -1.92 -3.22 115.31 115.08 3i1z h LEU 34 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3i1z h LEU 34 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3i1z h LEU 34 CO 0.31 0.00 -0.26 -0.62 -0.34 0.00 0.00 178.44 177.53 3i1z n GLU 35 N -2.54 1.62 0.00 1.25 -0.58 -1.26 -1.43 120.64 117.70 3i1z n GLU 35 Ca 0.04 -0.94 0.12 0.00 -0.42 0.00 0.00 57.16 55.96 3i1z n GLU 35 Cb 0.40 -1.27 0.22 0.00 -0.57 0.00 0.00 31.44 30.21 3i1z n GLU 35 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i1z n GLN 36 N 0.09 0.10 0.01 3.49 1.13 -1.21 -4.55 117.38 116.44 3i1z n GLN 36 Ca 0.07 -0.06 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 3i1z n GLN 36 Cb 0.35 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.19 3i1z n GLN 36 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3i1z n TYR 37 N -1.39 0.00 -1.98 1.08 -0.00 -1.26 -4.95 117.16 108.66 3i1z n TYR 37 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 3i1z n TYR 37 Cb 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.55 3i1z n TYR 37 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 3i1z n PHE 38 N -3.71 0.00 -1.78 2.98 1.16 -1.26 -5.05 117.46 109.79 3i1z n PHE 38 Ca -0.04 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.23 3i1z n PHE 38 Cb 0.15 0.06 -0.07 0.00 -1.61 0.00 0.00 39.48 38.01 3i1z n PHE 38 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1z n GLY 39 N 0.00 1.18 0.00 4.97 0.00 -0.52 -1.90 105.19 108.92 3i1z n GLY 39 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i1z n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1z n ARG 40 N 8.00 0.00 0.00 1.61 0.63 -1.25 -4.59 116.66 121.06 3i1z n ARG 40 Ca 0.46 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 3i1z n ARG 40 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 3i1z n ARG 40 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i1z n GLU 41 N 0.00 0.00 -0.53 -0.14 4.71 -0.80 -4.70 120.64 119.18 3i1z n GLU 41 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 3i1z n GLU 41 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 3i1z n GLU 41 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i1z n THR 42 N 0.00 2.06 0.00 2.62 -1.04 -1.26 -2.79 114.28 113.87 3i1z n THR 42 Ca 0.00 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 3i1z n THR 42 Cb 0.00 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 3i1z n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1z n ALA 43 N 1.30 0.00 -0.41 2.41 0.00 -1.26 -4.47 120.51 118.08 3i1z n ALA 43 Ca 0.04 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.84 3i1z n ALA 43 Cb 0.51 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.66 3i1z n ALA 43 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3i1z h ARG 44 N 0.00 0.10 0.00 0.00 0.11 -1.74 -2.60 114.38 110.25 3i1z h ARG 44 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3i1z h ARG 44 Cb 0.00 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 3i1z h ARG 44 CO 0.00 0.06 -0.41 0.00 0.10 0.00 0.00 179.97 179.73 3i1z n MET 45 N -4.33 0.00 0.02 0.08 0.00 -1.26 -3.80 117.12 107.83 3i1z n MET 45 Ca 0.31 -0.82 0.11 0.00 0.00 0.00 0.00 57.70 57.30 3i1z n MET 45 Cb 1.34 -0.33 0.55 0.00 0.00 0.00 0.00 33.22 34.79 3i1z n MET 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 3i1z h VAL 46 N 6.47 0.93 0.00 3.17 -1.51 -1.83 0.25 116.25 123.73 3i1z h VAL 46 Ca -0.03 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3i1z h VAL 46 Cb 1.33 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3i1z h VAL 46 CO -0.00 0.05 0.00 -0.37 -1.23 0.00 0.00 177.57 176.02 3i1z h VAL 47 N 0.27 0.00 0.00 7.19 -1.51 -1.81 -2.06 116.25 118.33 3i1z h VAL 47 Ca 0.19 -0.35 -0.13 0.00 -1.23 0.00 0.00 66.70 65.18 3i1z h VAL 47 Cb 0.39 1.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 3i1z h VAL 47 CO -0.04 0.00 -0.70 -0.09 -1.23 0.00 0.00 177.57 175.51 3i1z h ARG 48 N 0.00 0.00 -0.63 5.19 1.12 -0.87 -3.37 114.38 115.83 3i1z h ARG 48 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.00 3i1z h ARG 48 Cb 0.38 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.23 3i1z h ARG 48 CO 0.00 0.51 -0.05 1.96 -3.11 0.00 0.00 179.97 179.28 3i1z h GLN 49 N 0.00 0.07 0.00 0.20 4.20 -1.16 0.44 115.11 118.86 3i1z h GLN 49 Ca -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3i1z h GLN 49 Cb 1.45 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.22 3i1z h GLN 49 CO 0.07 0.05 0.00 -0.35 -0.67 0.00 0.00 178.83 177.93 3i1z n PRO 50 N -5.33 0.01 -2.77 1.46 -0.04 -1.26 -1.72 135.00 125.35 3i1z n PRO 50 Ca 0.09 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 3i1z n PRO 50 Cb 0.35 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3i1z n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i1z n LEU 51 N -1.08 2.97 0.00 1.53 4.77 0.15 -4.82 117.00 120.52 3i1z n LEU 51 Ca 0.00 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3i1z n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3i1z n LEU 51 CO 0.00 2.08 0.00 -0.62 -1.33 0.00 0.00 177.39 177.52 3i1z n GLU 52 N -0.16 0.00 0.00 3.23 1.02 -0.70 -4.58 120.64 119.44 3i1z n GLU 52 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3i1z n GLU 52 Cb 0.65 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3i1z n GLU 52 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i1z n LEU 53 N -1.84 2.53 -2.90 -4.62 4.32 -1.26 -3.87 117.00 109.36 3i1z n LEU 53 Ca 0.00 -1.26 -0.10 0.00 -0.02 0.00 0.00 56.01 54.62 3i1z n LEU 53 Cb 0.00 -0.48 -0.01 0.00 -1.62 0.00 0.00 43.42 41.31 3i1z n LEU 53 CO 0.00 0.44 0.03 1.33 -1.22 0.00 0.00 177.39 177.97 3i1z n VAL 54 N 0.42 -0.26 -0.69 4.08 0.24 -1.26 -5.08 118.33 115.78 3i1z n VAL 54 Ca 0.00 -1.74 -0.31 0.00 -2.04 0.00 0.00 64.34 60.25 3i1z n VAL 54 Cb 0.44 0.44 0.15 0.00 -1.47 0.00 0.00 33.84 33.39 3i1z n VAL 54 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i1z n ASP 55 N 2.54 -2.56 0.00 -1.34 -0.08 -1.25 -4.65 116.55 109.21 3i1z n ASP 55 Ca 0.18 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 3i1z n ASP 55 Cb 0.56 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.16 3i1z n ASP 55 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 3i1z n MET 56 N -1.42 0.00 0.00 -0.67 -0.00 -1.26 -4.92 117.12 108.85 3i1z n MET 56 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.71 3i1z n MET 56 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.83 3i1z n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i1z n VAL 57 N -0.39 0.00 -2.36 3.17 0.31 -1.26 -0.99 118.33 116.81 3i1z n VAL 57 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3i1z n VAL 57 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3i1z n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1z n GLU 58 N 0.00 0.45 -0.01 5.55 -0.58 -1.26 -1.97 120.64 122.82 3i1z n GLU 58 Ca 0.00 -2.37 -0.20 0.00 -0.42 0.00 0.00 57.16 54.17 3i1z n GLU 58 Cb 0.00 -0.43 -0.14 0.00 -0.57 0.00 0.00 31.44 30.31 3i1z n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3i1z h LYS 59 N 1.13 0.18 -2.48 3.49 3.64 -1.06 -3.37 116.57 118.11 3i1z h LYS 59 Ca -0.17 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 3i1z h LYS 59 Cb 1.70 0.12 -0.21 0.00 -0.41 0.00 0.00 32.23 33.42 3i1z h LYS 59 CO 0.10 1.15 -0.06 -0.48 -2.27 0.00 0.00 179.45 177.89 3i1z s LEU 60 N -7.76 0.02 0.53 5.20 2.34 -0.81 -2.56 118.68 115.65 3i1z s LEU 60 Ca -0.20 0.71 0.05 0.00 0.06 0.00 0.00 54.13 54.76 3i1z s LEU 60 Cb 0.03 1.88 0.05 0.00 -0.56 0.00 0.00 46.19 47.59 3i1z s LEU 60 CO 0.74 -0.38 0.74 -0.62 -1.06 0.00 0.00 176.35 175.77 3i1z s ASP 61 N -0.57 5.24 -0.28 1.48 2.15 0.12 -2.52 116.67 122.30 3i1z s ASP 61 Ca -0.07 -0.40 -0.03 0.00 0.43 0.00 0.00 52.55 52.49 3i1z s ASP 61 Cb -0.03 -0.41 0.16 0.00 -0.30 0.00 0.00 42.92 42.34 3i1z s ASP 61 CO 0.04 -1.15 0.52 -1.48 -0.17 0.00 0.00 175.17 172.93 3i1z s LEU 62 N -4.65 -1.09 -0.23 -1.34 2.34 -1.24 -1.24 118.68 111.24 3i1z s LEU 62 Ca 0.59 0.74 -0.19 0.00 0.06 0.00 0.00 54.13 55.33 3i1z s LEU 62 Cb -0.08 1.80 -0.03 0.00 -0.56 0.00 0.00 46.19 47.32 3i1z s LEU 62 CO 0.37 -0.27 0.55 -0.47 -1.06 0.00 0.00 176.35 175.48 3i1z s TYR 63 N 2.75 3.32 -0.04 3.48 6.04 -0.20 -2.89 117.35 129.81 3i1z s TYR 63 Ca 0.15 0.75 0.01 0.00 0.04 0.00 0.00 57.07 58.02 3i1z s TYR 63 Cb -0.15 -2.73 0.02 0.00 -1.04 0.00 0.00 41.96 38.06 3i1z s TYR 63 CO -0.19 -0.21 -0.03 0.42 -1.54 0.00 0.00 175.55 174.00 3i1z s ILE 64 N 2.05 0.44 -0.14 3.14 1.01 -1.26 -1.68 121.20 124.76 3i1z s ILE 64 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3i1z s ILE 64 Cb -0.16 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3i1z s ILE 64 CO 0.09 0.20 -0.20 -0.89 0.00 0.00 0.00 174.94 174.15 3i1z s THR 65 N 0.96 2.28 0.06 2.92 2.01 -1.19 0.08 115.64 122.76 3i1z s THR 65 Ca -0.11 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.06 3i1z s THR 65 Cb -0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 3i1z s THR 65 CO -0.00 0.54 -0.22 0.54 -0.69 0.00 0.00 174.62 174.78 3i1z s VAL 66 N 0.69 1.80 -0.08 3.82 0.11 -1.26 -3.08 120.40 122.40 3i1z s VAL 66 Ca -0.09 -1.35 -0.08 0.00 -2.93 0.00 0.00 61.98 57.53 3i1z s VAL 66 Cb -0.16 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 3i1z s VAL 66 CO 0.01 0.16 0.22 -1.59 -3.33 0.00 0.00 175.10 170.58 3i1z s LYS 67 N -1.42 0.27 0.00 1.54 0.00 -0.58 -4.97 119.74 114.58 3i1z s LYS 67 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 55.97 56.34 3i1z s LYS 67 Cb -0.09 0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.87 3i1z s LYS 67 CO 0.03 -0.03 0.00 0.41 0.00 0.00 0.00 175.35 175.75 3i1z n GLY 68 N 2.91 2.66 7.00 0.59 0.00 -1.26 -0.90 105.19 116.19 3i1z n GLY 68 Ca -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3i1z n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 69 N 0.76 0.87 0.00 -0.02 0.00 -1.23 -4.13 105.19 101.44 3i1z n GLY 69 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3i1z n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1z n GLY 70 N 0.00 5.53 0.00 -0.02 0.00 -1.26 -4.93 105.19 104.51 3i1z n GLY 70 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3i1z n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1z n ILE 71 N 0.00 0.00 0.74 -0.61 2.08 -1.26 -0.93 119.36 119.38 3i1z n ILE 71 Ca 0.00 0.50 0.04 0.00 0.56 0.00 0.00 62.75 63.85 3i1z n ILE 71 Cb 0.00 -1.40 0.23 0.00 -0.75 0.00 0.00 39.64 37.72 3i1z n ILE 71 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3i1z n SER 72 N -0.00 0.00 -0.06 4.38 3.41 -1.26 -1.58 113.62 118.51 3i1z n SER 72 Ca 0.00 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3i1z n SER 72 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3i1z n SER 72 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i1z h GLY 73 N 1.98 -0.01 0.97 5.00 0.00 -1.88 -2.92 103.07 106.21 3i1z h GLY 73 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3i1z h GLY 73 CO 0.00 -0.00 -0.35 1.46 0.00 0.00 0.00 176.54 177.65 3i1z h GLN 74 N -0.99 -0.94 0.00 4.80 4.20 -0.01 -1.45 115.11 120.73 3i1z h GLN 74 Ca -0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3i1z h GLN 74 Cb 0.73 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3i1z h GLN 74 CO 0.00 -0.62 0.23 0.00 -0.67 0.00 0.00 178.83 177.78 3i1z n ALA 75 N -2.54 0.66 0.04 3.87 0.00 -0.90 0.73 120.51 122.37 3i1z n ALA 75 Ca -0.14 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3i1z n ALA 75 Cb 0.40 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 3i1z n ALA 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1z h GLY 76 N 0.00 0.16 0.95 0.00 0.00 -1.07 -3.24 103.07 99.86 3i1z h GLY 76 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 3i1z h GLY 76 CO 0.00 0.35 -0.67 0.00 0.00 0.00 0.00 176.54 176.21 3i1z h ALA 77 N 0.70 0.16 0.45 3.60 0.00 0.74 -3.25 119.26 121.66 3i1z h ALA 77 Ca -0.22 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 3i1z h ALA 77 Cb 1.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 3i1z h ALA 77 CO 0.13 0.47 -0.50 0.82 0.00 0.00 0.00 179.25 180.17 3i1z h ILE 78 N 0.15 0.03 -1.31 0.00 2.04 -1.52 0.50 117.51 117.41 3i1z h ILE 78 Ca -0.07 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.18 3i1z h ILE 78 Cb 1.34 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 3i1z h ILE 78 CO 0.14 0.00 0.88 -0.09 0.00 0.00 0.00 178.15 179.08 3i1z h ARG 79 N -0.96 0.13 0.19 2.37 1.12 -1.69 0.16 114.38 115.70 3i1z h ARG 79 Ca -0.05 -0.01 -0.26 0.00 -1.11 0.00 0.00 59.98 58.55 3i1z h ARG 79 Cb 0.85 -0.03 0.03 0.00 -0.01 0.00 0.00 29.97 30.81 3i1z h ARG 79 CO -0.09 0.08 -1.17 1.25 -3.11 0.00 0.00 179.97 176.93 3i1z h HIS 80 N 0.13 0.74 0.00 2.20 2.76 -1.02 -3.24 115.15 116.72 3i1z h HIS 80 Ca 0.71 -0.54 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3i1z h HIS 80 Cb 2.39 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 31.31 3i1z h HIS 80 CO -0.00 1.45 -0.09 0.78 -1.30 0.00 0.00 177.93 178.77 3i1z h GLY 81 N -0.09 0.00 0.34 5.26 0.00 0.25 -2.84 103.07 106.00 3i1z h GLY 81 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3i1z h GLY 81 CO 0.20 0.00 -0.16 -2.22 0.00 0.00 0.00 176.54 174.36 3i1z h ILE 82 N 0.00 0.00 -0.55 2.60 2.04 -1.00 -1.16 117.51 119.44 3i1z h ILE 82 Ca -0.00 -0.36 0.16 0.00 1.00 0.00 0.00 64.86 65.66 3i1z h ILE 82 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3i1z h ILE 82 CO 0.01 0.00 0.44 0.71 0.00 0.00 0.00 178.15 179.31 3i1z h THR 83 N -0.82 0.59 0.02 -0.27 1.35 -1.58 1.09 112.91 113.29 3i1z h THR 83 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3i1z h THR 83 Cb 0.35 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3i1z h THR 83 CO 0.08 0.00 -0.01 0.03 -0.25 0.00 0.00 175.52 175.37 3i1z h ARG 84 N 0.00 -0.03 0.00 4.72 3.08 -1.58 -3.05 114.38 117.53 3i1z h ARG 84 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3i1z h ARG 84 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3i1z h ARG 84 CO -0.00 0.69 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 3i1z n ALA 85 N -2.52 1.38 1.16 0.04 0.00 0.40 -1.60 120.51 119.37 3i1z n ALA 85 Ca -0.09 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.43 3i1z n ALA 85 Cb 0.36 -1.08 0.34 0.00 0.00 0.00 0.00 19.45 19.07 3i1z n ALA 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1z n LEU 86 N -1.33 1.73 0.05 0.00 7.94 0.35 -3.47 117.00 122.27 3i1z n LEU 86 Ca 0.02 -0.75 0.08 0.00 -1.11 0.00 0.00 56.01 54.26 3i1z n LEU 86 Cb 0.04 -0.13 0.36 0.00 0.53 0.00 0.00 43.42 44.23 3i1z n LEU 86 CO 0.04 0.37 0.76 1.15 -1.11 0.00 0.00 177.39 178.61 3i1z n MET 87 N 0.37 0.07 -0.30 1.96 0.00 -0.63 -3.57 117.12 115.02 3i1z n MET 87 Ca 0.16 0.33 0.10 0.00 0.00 0.00 0.00 57.70 58.28 3i1z n MET 87 Cb 0.33 -1.64 0.26 0.00 0.00 0.00 0.00 33.22 32.17 3i1z n MET 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3i1z h GLU 88 N 0.00 0.53 -0.01 3.17 -0.00 -1.82 -2.05 114.58 114.41 3i1z h GLU 88 Ca 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.36 59.28 3i1z h GLU 88 Cb 0.27 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.90 3i1z h GLU 88 CO 0.00 0.35 -0.18 1.88 -0.00 0.00 0.00 179.01 181.06 3i1z h TYR 89 N 0.55 0.19 0.00 2.06 0.05 -1.89 -3.49 116.97 114.43 3i1z h TYR 89 Ca 0.51 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 59.19 3i1z h TYR 89 Cb 0.82 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.54 3i1z h TYR 89 CO -0.10 0.87 0.00 -0.40 -1.05 0.00 0.00 178.16 177.48 3i1z n ASP 90 N -4.57 0.00 -0.37 3.88 5.75 -0.77 -4.94 116.55 115.53 3i1z n ASP 90 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3i1z n ASP 90 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3i1z n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i1z n GLU 91 N -0.11 0.95 0.01 0.11 -0.58 -1.26 -3.35 120.64 116.41 3i1z n GLU 91 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 3i1z n GLU 91 Cb 0.00 -1.35 -0.14 0.00 -0.57 0.00 0.00 31.44 29.38 3i1z n GLU 91 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3i1z h SER 92 N 0.04 0.39 1.67 1.62 0.87 -1.95 -3.36 113.55 112.83 3i1z h SER 92 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 3i1z h SER 92 Cb 0.35 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3i1z h SER 92 CO 0.00 1.72 -0.24 0.17 -0.53 0.00 0.00 176.83 177.95 3i1z h LEU 93 N 0.07 0.00 -2.31 2.23 8.10 -1.95 -3.30 115.31 118.15 3i1z h LEU 93 Ca -0.39 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.58 3i1z h LEU 93 Cb 2.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.26 3i1z h LEU 93 CO 0.10 0.01 0.01 -1.14 -4.11 0.00 0.00 178.44 173.31 3i1z n ARG 94 N -2.86 1.02 0.00 0.17 0.63 -1.25 0.07 116.66 114.44 3i1z n ARG 94 Ca 0.03 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3i1z n ARG 94 Cb 0.52 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.41 3i1z n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1z n SER 95 N 0.75 3.03 0.05 6.15 7.64 -1.24 -4.46 113.62 125.54 3i1z n SER 95 Ca 0.01 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.01 3i1z n SER 95 Cb 0.52 0.09 0.09 0.00 -1.01 0.00 0.00 64.21 63.89 3i1z n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1z n GLU 96 N -2.06 0.34 0.00 1.43 -0.58 -1.01 -3.15 120.64 115.60 3i1z n GLU 96 Ca 0.00 0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3i1z n GLU 96 Cb 0.36 -1.67 0.41 0.00 -0.57 0.00 0.00 31.44 29.97 3i1z n GLU 96 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3i1z n LEU 97 N -2.13 0.60 -0.01 -4.62 7.94 0.11 -3.60 117.00 115.29 3i1z n LEU 97 Ca 0.02 -0.02 -0.02 0.00 -1.11 0.00 0.00 56.01 54.87 3i1z n LEU 97 Cb 0.45 -0.22 -0.11 0.00 0.53 0.00 0.00 43.42 44.07 3i1z n LEU 97 CO 0.38 0.12 -0.53 -1.14 -1.11 0.00 0.00 177.39 175.12 3i1z n ARG 98 N -1.13 0.64 0.00 1.96 0.63 -1.19 -3.81 116.66 113.76 3i1z n ARG 98 Ca 0.10 0.16 0.07 0.00 -0.92 0.00 0.00 57.85 57.26 3i1z n ARG 98 Cb 0.33 -1.73 0.44 0.00 0.45 0.00 0.00 32.46 31.95 3i1z n ARG 98 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i1z n LYS 99 N -2.84 0.61 0.00 -0.14 4.81 -1.19 -1.30 118.16 118.12 3i1z n LYS 99 Ca -0.15 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.34 3i1z n LYS 99 Cb 0.91 -1.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.56 3i1z n LYS 99 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1z n ALA 100 N -0.88 3.10 0.00 3.14 0.00 -1.25 -5.00 120.51 119.63 3i1z n ALA 100 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i1z n ALA 100 Cb 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3i1z n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1z n GLY 101 N 1.08 2.97 0.16 0.00 0.00 -0.42 -4.86 105.19 104.12 3i1z n GLY 101 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3i1z n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1z n PHE 102 N -2.00 0.46 0.13 1.61 3.72 -1.25 -0.58 117.46 119.55 3i1z n PHE 102 Ca 0.00 0.24 -0.23 0.00 -0.05 0.00 0.00 57.45 57.41 3i1z n PHE 102 Cb 0.00 -0.69 -0.15 0.00 -0.94 0.00 0.00 39.48 37.69 3i1z n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3i1z h VAL 103 N 0.00 1.30 -3.53 -4.37 -1.51 -1.86 -3.42 116.25 102.87 3i1z h VAL 103 Ca 0.00 -2.77 -0.52 0.00 -1.23 0.00 0.00 66.70 62.18 3i1z h VAL 103 Cb 0.56 3.00 0.01 0.00 -2.13 0.00 0.00 31.29 32.73 3i1z h VAL 103 CO 0.00 0.83 0.49 -0.89 -1.23 0.00 0.00 177.57 176.77 3i1z s THR 104 N -2.61 3.85 -0.22 7.19 2.01 0.25 -5.00 115.64 121.11 3i1z s THR 104 Ca -0.08 1.57 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 3i1z s THR 104 Cb 0.05 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.56 3i1z s THR 104 CO 0.93 0.26 1.04 -0.60 -0.69 0.00 0.00 174.62 175.56 3i1z s ARG 105 N -0.25 4.27 -1.19 4.92 3.00 -1.26 -4.96 118.95 123.48 3i1z s ARG 105 Ca 0.50 1.37 -0.21 0.00 -1.00 0.00 0.00 55.73 56.39 3i1z s ARG 105 Cb -0.30 -3.64 -0.02 0.00 0.00 0.00 0.00 34.95 31.00 3i1z s ARG 105 CO 0.35 -0.62 1.83 -0.51 0.00 0.00 0.00 175.30 176.34 3i1z s ASP 106 N 1.22 5.81 0.00 -2.12 -0.00 -1.26 -4.80 116.67 115.52 3i1z s ASP 106 Ca 0.45 -1.84 0.00 0.00 -0.00 0.00 0.00 52.55 51.16 3i1z s ASP 106 Cb -0.15 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.18 3i1z s ASP 106 CO 0.07 -2.23 0.71 0.00 -0.00 0.00 0.00 175.17 173.72 3i1z n ALA 107 N 11.75 1.17 -1.52 5.23 0.00 -1.26 -4.61 120.51 131.26 3i1z n ALA 107 Ca 0.45 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 53.35 3i1z n ALA 107 Cb 0.47 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 3i1z n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1z n ARG 108 N -1.21 1.03 -4.32 0.00 1.74 -1.26 -4.94 116.66 107.70 3i1z n ARG 108 Ca 0.00 0.32 -0.24 0.00 -0.77 0.00 0.00 57.85 57.16 3i1z n ARG 108 Cb 0.02 -2.24 -0.08 0.00 -1.02 0.00 0.00 32.46 29.13 3i1z n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i1z s GLN 109 N 5.24 2.11 -0.02 5.56 -1.52 -1.26 -4.71 119.66 125.06 3i1z s GLN 109 Ca 1.06 -1.66 -0.30 0.00 -1.95 0.00 0.00 55.36 52.52 3i1z s GLN 109 Cb -0.99 -1.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.76 3i1z s GLN 109 CO 0.57 0.20 1.40 0.14 -0.25 0.00 0.00 175.29 177.35 3i1z s VAL 110 N -2.47 3.77 -0.05 1.09 -7.23 -1.26 -4.96 120.40 109.30 3i1z s VAL 110 Ca 0.34 1.12 -0.30 0.00 -1.81 0.00 0.00 61.98 61.33 3i1z s VAL 110 Cb -0.02 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 3i1z s VAL 110 CO 0.19 -0.02 1.56 -0.70 -0.31 0.00 0.00 175.10 175.83 3i1z s GLU 111 N 2.66 4.20 0.47 4.82 2.56 -1.26 -4.97 118.70 127.18 3i1z s GLU 111 Ca 0.64 2.10 -0.24 0.00 0.00 0.00 0.00 54.97 57.47 3i1z s GLU 111 Cb -0.30 -3.86 -0.07 0.00 2.00 0.00 0.00 34.13 31.89 3i1z s GLU 111 CO 0.25 -0.78 1.30 -0.98 -0.56 0.00 0.00 175.26 174.50 3i1z s ARG 112 N 3.60 3.63 0.05 4.30 1.70 -1.26 -4.80 118.95 126.17 3i1z s ARG 112 Ca 0.70 2.12 -0.31 0.00 -0.47 0.00 0.00 55.73 57.77 3i1z s ARG 112 Cb -0.32 -2.51 -0.07 0.00 -0.57 0.00 0.00 34.95 31.49 3i1z s ARG 112 CO 0.27 -0.76 1.38 0.21 -1.08 0.00 0.00 175.30 175.32 3i1z s LYS 113 N -2.58 4.31 -0.13 3.89 2.20 -1.26 -4.33 119.74 121.84 3i1z s LYS 113 Ca 0.63 1.99 -0.07 0.00 -0.36 0.00 0.00 55.97 58.16 3i1z s LYS 113 Cb -0.37 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 3i1z s LYS 113 CO 0.46 -0.49 0.13 0.15 -0.36 0.00 0.00 175.35 175.25 3i1z s LYS 114 N 1.74 3.50 0.34 4.03 1.02 -1.26 -4.78 119.74 124.33 3i1z s LYS 114 Ca 0.64 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.20 3i1z s LYS 114 Cb -0.33 -3.20 -0.12 0.00 -0.52 0.00 0.00 37.83 33.66 3i1z s LYS 114 CO 0.28 0.73 1.36 1.55 -0.92 0.00 0.00 175.35 178.36 3i1z n VAL 115 N 2.13 1.88 0.00 3.17 3.14 -1.26 -2.93 118.33 124.46 3i1z n VAL 115 Ca -0.20 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 3i1z n VAL 115 Cb 0.55 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.64 3i1z n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1z n GLY 116 N 0.84 2.13 3.42 7.55 0.00 -1.26 -5.00 105.19 112.87 3i1z n GLY 116 Ca 0.04 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3i1z n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1z n LEU 117 N 0.00 -0.60 -0.18 0.99 4.77 -1.15 -4.83 117.00 116.00 3i1z n LEU 117 Ca 0.00 0.88 -0.03 0.00 -0.03 0.00 0.00 56.01 56.83 3i1z n LEU 117 Cb 0.00 -1.07 0.07 0.00 -2.33 0.00 0.00 43.42 40.10 3i1z n LEU 117 CO 0.00 -3.17 1.02 -0.09 -1.33 0.00 0.00 177.39 173.82 3i1z h ARG 118 N 0.68 0.48 -0.60 3.23 2.43 -1.15 -3.42 114.38 116.03 3i1z h ARG 118 Ca -0.40 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.82 3i1z h ARG 118 Cb 1.41 -0.11 -0.19 0.00 -0.42 0.00 0.00 29.97 30.66 3i1z h ARG 118 CO 0.50 0.32 -0.24 -1.59 -1.51 0.00 0.00 179.97 177.45 3i1z s LYS 119 N -6.12 0.43 0.25 0.20 -2.85 -1.20 -5.00 119.74 105.45 3i1z s LYS 119 Ca -0.13 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 3i1z s LYS 119 Cb 0.15 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3i1z s LYS 119 CO 0.74 -0.68 0.00 0.00 0.10 0.00 0.00 175.35 175.51 3i1z n ALA 120 N 4.52 0.00 -0.01 0.59 0.00 -1.26 -3.06 120.51 121.29 3i1z n ALA 120 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1z n ALA 120 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 3i1z n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1z n ARG 121 N 0.00 2.85 -1.68 0.00 5.12 -1.26 -4.20 116.66 117.50 3i1z n ARG 121 Ca 0.00 -0.01 -0.47 0.00 -1.93 0.00 0.00 57.85 55.45 3i1z n ARG 121 Cb 0.00 -1.05 -0.04 0.00 -1.16 0.00 0.00 32.46 30.21 3i1z n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1z n ARG 122 N -1.96 2.25 -3.78 5.56 3.00 -1.17 -4.91 116.66 115.65 3i1z n ARG 122 Ca -0.02 0.82 -0.35 0.00 -0.00 0.00 0.00 57.85 58.30 3i1z n ARG 122 Cb 0.44 -2.65 -0.09 0.00 0.00 0.00 0.00 32.46 30.16 3i1z n ARG 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1z s ARG 123 N 3.09 4.13 0.41 -0.14 6.06 -1.26 -0.63 118.95 130.60 3i1z s ARG 123 Ca 0.88 -0.25 -0.25 0.00 -2.50 0.00 0.00 55.73 53.60 3i1z s ARG 123 Cb -0.66 -3.39 -0.10 0.00 0.06 0.00 0.00 34.95 30.86 3i1z s ARG 123 CO 0.46 0.26 1.17 -0.35 -2.50 0.00 0.00 175.30 174.34 3i1z n PRO 124 N 3.63 1.71 -1.62 5.12 -0.04 -1.26 -4.81 135.00 137.73 3i1z n PRO 124 Ca -0.16 0.61 -0.46 0.00 -0.04 0.00 0.00 63.50 63.45 3i1z n PRO 124 Cb 0.52 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 3i1z n PRO 124 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3i1z n GLN 125 N 0.16 2.11 -3.46 0.54 7.27 -1.26 -4.96 117.38 117.78 3i1z n GLN 125 Ca 0.08 0.71 -0.24 0.00 0.07 0.00 0.00 57.00 57.62 3i1z n GLN 125 Cb 0.39 -2.88 -0.01 0.00 2.41 0.00 0.00 30.24 30.15 3i1z n GLN 125 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 3i1z s PHE 126 N 5.89 3.49 1.28 3.69 -0.12 -1.26 -5.07 117.98 125.88 3i1z s PHE 126 Ca 0.97 0.30 -0.19 0.00 -0.05 0.00 0.00 56.93 57.96 3i1z s PHE 126 Cb -0.55 -1.85 0.29 0.00 -0.63 0.00 0.00 43.02 40.28 3i1z s PHE 126 CO 0.44 0.17 0.69 -1.13 -0.05 0.00 0.00 175.22 175.34 3i1z n SER 127 N -1.71 -3.28 0.00 1.98 3.41 -1.26 -4.96 113.62 107.79 3i1z n SER 127 Ca -0.05 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 3i1z n SER 127 Cb 0.56 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3i1z n SER 127 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3i1z n LYS 128 N -4.39 0.00 0.00 4.33 -0.00 -1.26 -5.30 118.16 111.55 3i1z n LYS 128 Ca 0.08 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 3i1z n LYS 128 Cb 0.53 -0.84 0.00 0.00 -0.00 0.00 0.00 35.03 34.72 3i1z n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94