#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n GLU 2 N 0.00 0.00 -2.60 0.03 -0.58 -1.26 -4.72 120.64 111.52 3i1t n GLU 2 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 3i1t n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3i1t n GLU 2 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i1t n THR 3 N -1.60-11.42 -4.56 2.62 -1.04 -1.26 -3.95 114.28 93.06 3i1t n THR 3 Ca 0.00 2.50 -0.22 0.00 -2.04 0.00 0.00 64.05 64.29 3i1t n THR 3 Cb 0.00 -5.90 -0.14 0.00 -1.82 0.00 0.00 70.33 62.46 3i1t n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3i1t s ILE 4 N -0.56 1.26 0.33 12.58 -5.25 -1.26 -3.43 121.20 124.87 3i1t s ILE 4 Ca -0.20 -0.89 0.05 0.00 -0.99 0.00 0.00 60.65 58.61 3i1t s ILE 4 Cb 0.01 -1.09 -0.07 0.00 2.95 0.00 0.00 42.46 44.27 3i1t s ILE 4 CO 0.55 0.18 0.04 0.00 -1.79 0.00 0.00 174.94 173.92 3i1t s ALA 5 N -0.63 2.46 0.15 2.27 0.00 -0.52 -5.00 121.76 120.49 3i1t s ALA 5 Ca 0.05 -2.07 -0.24 0.00 0.00 0.00 0.00 51.96 49.69 3i1t s ALA 5 Cb -0.07 0.53 0.06 0.00 0.00 0.00 0.00 23.12 23.64 3i1t s ALA 5 CO 0.01 -0.25 0.76 -1.59 0.00 0.00 0.00 175.76 174.69 3i1t s LYS 6 N -3.84 1.29 -0.24 0.00 -2.85 -1.26 -0.88 119.74 111.95 3i1t s LYS 6 Ca 0.35 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.73 3i1t s LYS 6 Cb 0.08 0.51 0.06 0.00 -2.06 0.00 0.00 37.83 36.43 3i1t s LYS 6 CO 0.15 -0.58 -0.03 -1.58 0.10 0.00 0.00 175.35 173.41 3i1t s HIS 7 N -3.56 2.24 0.12 1.78 5.65 -0.20 -4.97 115.29 116.35 3i1t s HIS 7 Ca 0.07 -1.69 0.04 0.00 0.25 0.00 0.00 55.06 53.73 3i1t s HIS 7 Cb -0.02 -1.57 -0.04 0.00 -1.18 0.00 0.00 32.58 29.77 3i1t s HIS 7 CO -0.04 -0.77 0.10 1.03 -0.65 0.00 0.00 174.74 174.41 3i1t s ARG 8 N 1.45 2.85 -0.32 2.88 0.52 -1.26 -0.31 118.95 124.75 3i1t s ARG 8 Ca -0.04 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3i1t s ARG 8 Cb -0.19 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3i1t s ARG 8 CO -0.07 0.52 0.00 0.72 0.02 0.00 0.00 175.30 176.49 3i1t n HIS 9 N 0.06 0.00 -1.69 -0.53 8.25 -1.24 -4.95 115.22 115.12 3i1t n HIS 9 Ca -0.09 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 3i1t n HIS 9 Cb 0.53 -1.07 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 3i1t n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1t n ALA 10 N 1.06 1.86 -2.66 -1.41 0.00 -0.84 -4.85 120.51 113.67 3i1t n ALA 10 Ca -0.03 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3i1t n ALA 10 Cb 0.21 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 3i1t n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1t s ARG 11 N 2.00 3.75 -0.00 0.00 1.81 -1.26 -2.68 118.95 122.57 3i1t s ARG 11 Ca 0.81 -1.61 -0.13 0.00 -1.72 0.00 0.00 55.73 53.08 3i1t s ARG 11 Cb -0.58 -5.32 0.04 0.00 -0.45 0.00 0.00 34.95 28.65 3i1t s ARG 11 CO 0.38 -2.12 0.61 0.45 -0.68 0.00 0.00 175.30 173.95 3i1t n SER 12 N 8.09 -0.59 -4.97 0.23 2.88 -1.26 -5.05 113.62 112.94 3i1t n SER 12 Ca 0.37 -1.14 -0.21 0.00 -1.33 0.00 0.00 58.87 56.56 3i1t n SER 12 Cb 0.48 0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 64.87 3i1t n SER 12 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3i1t s SER 13 N -2.35 5.98 0.12 -3.46 1.04 -1.26 -2.88 113.70 110.90 3i1t s SER 13 Ca 0.14 0.02 0.27 0.00 0.48 0.00 0.00 55.95 56.87 3i1t s SER 13 Cb -0.00 -1.44 0.99 0.00 0.10 0.00 0.00 66.02 65.67 3i1t s SER 13 CO -0.00 -0.47 1.84 0.00 0.98 0.00 0.00 173.24 175.59 3i1t n ALA 14 N -1.76 2.30 -0.02 5.32 0.00 -1.15 -3.30 120.51 121.90 3i1t n ALA 14 Ca -0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 3i1t n ALA 14 Cb 0.58 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 3i1t n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1t n GLN 15 N -1.94 0.72 0.16 0.00 7.27 -1.26 -3.35 117.38 118.98 3i1t n GLN 15 Ca 0.06 0.29 -0.13 0.00 0.07 0.00 0.00 57.00 57.29 3i1t n GLN 15 Cb 0.39 -1.69 -0.08 0.00 2.41 0.00 0.00 30.24 31.27 3i1t n GLN 15 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i1t h LYS 16 N -0.09 -0.40 -0.39 3.69 1.57 -1.98 -2.21 116.57 116.76 3i1t h LYS 16 Ca -0.44 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.45 3i1t h LYS 16 Cb 1.92 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 34.24 3i1t h LYS 16 CO 0.02 -0.08 -0.20 0.28 -0.57 0.00 0.00 179.45 178.90 3i1t h VAL 17 N -0.75 0.42 -0.39 0.50 2.07 -1.77 0.15 116.25 116.47 3i1t h VAL 17 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 3i1t h VAL 17 Cb 0.50 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3i1t h VAL 17 CO 0.07 0.00 0.46 -0.09 0.02 0.00 0.00 177.57 178.03 3i1t h ARG 18 N -0.13 0.00 0.01 1.57 2.43 -1.55 0.18 114.38 116.89 3i1t h ARG 18 Ca 0.19 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3i1t h ARG 18 Cb 0.43 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3i1t h ARG 18 CO -0.47 0.00 -0.37 1.25 -1.51 0.00 0.00 179.97 178.87 3i1t h LEU 19 N 0.00 0.31 -0.25 3.80 5.85 -0.05 -2.65 115.31 122.32 3i1t h LEU 19 Ca 0.19 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3i1t h LEU 19 Cb 1.10 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3i1t h LEU 19 CO -0.00 1.07 -0.09 0.55 -0.34 0.00 0.00 178.44 179.63 3i1t n VAL 20 N -4.41 0.00 -0.06 1.05 3.14 -0.89 -3.86 118.33 113.32 3i1t n VAL 20 Ca -0.10 -0.07 -0.12 0.00 -2.96 0.00 0.00 64.34 61.09 3i1t n VAL 20 Cb 0.57 -0.10 -0.11 0.00 -1.06 0.00 0.00 33.84 33.14 3i1t n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1t h ALA 21 N 3.68 -0.01 0.00 1.55 0.00 -0.59 -3.12 119.26 120.77 3i1t h ALA 21 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i1t h ALA 21 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i1t h ALA 21 CO 0.00 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 3i1t n ASP 22 N -4.67 0.00 0.09 0.00 9.92 -1.01 -1.99 116.55 118.89 3i1t n ASP 22 Ca -0.09 0.46 -0.12 0.00 -0.53 0.00 0.00 54.79 54.51 3i1t n ASP 22 Cb 0.40 -0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 40.34 3i1t n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i1t h LEU 23 N 0.00 0.33 -1.05 0.64 6.46 -1.65 -3.35 115.31 116.69 3i1t h LEU 23 Ca 0.00 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3i1t h LEU 23 Cb 0.02 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3i1t h LEU 23 CO 0.00 1.17 -0.07 2.30 -0.62 0.00 0.00 178.44 181.22 3i1t n ILE 24 N -3.59 0.00 -1.67 4.05 -5.35 -0.84 -4.94 119.36 107.02 3i1t n ILE 24 Ca -0.05 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 3i1t n ILE 24 Cb 0.91 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.94 3i1t n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3i1t n ARG 25 N 0.13 1.80 0.00 6.28 0.63 -1.09 -3.15 116.66 121.26 3i1t n ARG 25 Ca 0.04 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 3i1t n ARG 25 Cb 0.18 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.86 3i1t n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1t n GLY 26 N 0.92 1.67 3.68 5.14 0.00 -0.85 -4.94 105.19 110.80 3i1t n GLY 26 Ca 0.07 -0.10 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 3i1t n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 27 N 0.00 2.36 0.00 1.61 4.76 -1.19 -3.95 118.16 121.75 3i1t n LYS 27 Ca 0.00 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.30 3i1t n LYS 27 Cb 0.00 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.48 3i1t n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i1t n LYS 28 N 5.82 0.00 0.00 1.97 5.02 -1.26 -4.15 118.16 125.56 3i1t n LYS 28 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3i1t n LYS 28 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 3i1t n LYS 28 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i1t n VAL 29 N 0.00 0.00 -0.14 -0.18 0.31 -1.26 -1.04 118.33 116.02 3i1t n VAL 29 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3i1t n VAL 29 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3i1t n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i1t h SER 30 N 0.00 0.69 0.01 4.52 0.02 -1.89 -3.19 113.55 113.70 3i1t h SER 30 Ca 0.00 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 3i1t h SER 30 Cb 0.00 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.36 3i1t h SER 30 CO 0.00 0.83 -0.22 1.56 -1.14 0.00 0.00 176.83 177.85 3i1t h GLN 31 N 0.52 0.13 -5.27 3.45 1.08 -1.89 -3.19 115.11 109.94 3i1t h GLN 31 Ca 0.11 -0.16 -0.36 0.00 -1.45 0.00 0.00 58.65 56.79 3i1t h GLN 31 Cb 0.48 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3i1t h GLN 31 CO 0.02 0.94 1.19 0.00 -0.95 0.00 0.00 178.83 180.04 3i1t n ALA 32 N -2.56 1.90 0.00 3.87 0.00 -1.20 -0.46 120.51 122.06 3i1t n ALA 32 Ca -0.10 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3i1t n ALA 32 Cb 0.51 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.46 3i1t n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1t n LEU 33 N 13.64 0.00 0.04 0.00 7.94 -1.25 -4.66 117.00 132.71 3i1t n LEU 33 Ca 0.45 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.47 3i1t n LEU 33 Cb 0.45 0.00 0.48 0.00 0.53 0.00 0.00 43.42 44.89 3i1t n LEU 33 CO 0.74 0.00 0.88 0.47 -1.11 0.00 0.00 177.39 178.37 3i1t n ASP 34 N 0.00 0.28 -0.77 1.96 10.43 0.40 -0.63 116.55 128.21 3i1t n ASP 34 Ca 0.00 0.54 0.10 0.00 2.57 0.00 0.00 54.79 58.00 3i1t n ASP 34 Cb 0.00 -0.61 0.29 0.00 1.84 0.00 0.00 41.12 42.64 3i1t n ASP 34 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3i1t n ILE 35 N -1.77 0.37 -0.08 0.53 -5.35 0.32 -4.19 119.36 109.18 3i1t n ILE 35 Ca 0.05 -0.51 -0.15 0.00 -0.27 0.00 0.00 62.75 61.87 3i1t n ILE 35 Cb 0.31 0.52 -0.07 0.00 -1.74 0.00 0.00 39.64 38.66 3i1t n ILE 35 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i1t n LEU 36 N 0.74 2.05 0.29 7.28 7.99 0.20 -4.45 117.00 131.10 3i1t n LEU 36 Ca 0.17 0.07 0.09 0.00 -0.01 0.00 0.00 56.01 56.33 3i1t n LEU 36 Cb 0.41 -0.54 0.50 0.00 -0.11 0.00 0.00 43.42 43.68 3i1t n LEU 36 CO 0.13 0.56 1.02 0.74 -1.51 0.00 0.00 177.39 178.32 3i1t h THR 37 N -0.34 0.00 -2.60 -5.08 2.02 -1.12 -2.96 112.91 102.83 3i1t h THR 37 Ca -0.41 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.17 3i1t h THR 37 Cb 1.47 0.41 -0.39 0.00 -1.74 0.00 0.00 68.15 67.89 3i1t h THR 37 CO -0.17 0.00 -0.85 -0.31 0.37 0.00 0.00 175.52 174.56 3i1t s TYR 38 N -3.87 1.83 0.00 3.16 1.51 -1.26 -5.00 117.35 113.72 3i1t s TYR 38 Ca -0.02 -2.61 0.00 0.00 -1.01 0.00 0.00 57.07 53.43 3i1t s TYR 38 Cb 0.05 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 3i1t s TYR 38 CO 0.17 -0.74 0.00 2.41 -1.11 0.00 0.00 175.55 176.27 3i1t n THR 39 N 2.65 0.00 0.00 -0.71 -1.04 -1.12 -4.87 114.28 109.18 3i1t n THR 39 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 3i1t n THR 39 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3i1t n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3i1t n ASN 40 N 0.00 0.00 -4.60 8.00 0.23 -1.26 -5.15 115.26 112.47 3i1t n ASN 40 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 3i1t n ASN 40 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 3i1t n ASN 40 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3i1t n LYS 41 N 0.00 1.32 0.21 -3.83 4.76 -1.26 -4.77 118.16 114.59 3i1t n LYS 41 Ca 0.00 0.47 0.17 0.00 -2.87 0.00 0.00 58.31 56.09 3i1t n LYS 41 Cb 0.00 -2.00 0.84 0.00 -1.84 0.00 0.00 35.03 32.03 3i1t n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3i1t h LYS 42 N 1.56 0.00 0.00 1.97 3.64 -1.99 1.44 116.57 123.18 3i1t h LYS 42 Ca -0.44 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 3i1t h LYS 42 Cb 1.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3i1t h LYS 42 CO 0.57 0.00 -0.11 0.00 -2.27 0.00 0.00 179.45 177.64 3i1t h ALA 43 N 1.74 1.10 -0.11 5.00 0.00 -1.93 -1.35 119.26 123.72 3i1t h ALA 43 Ca 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i1t h ALA 43 Cb 0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3i1t h ALA 43 CO -0.00 0.14 -0.30 0.00 0.00 0.00 0.00 179.25 179.09 3i1t h ALA 44 N 1.89 -0.66 -0.40 0.00 0.00 0.17 -1.85 119.26 118.41 3i1t h ALA 44 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1t h ALA 44 Cb 0.48 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i1t h ALA 44 CO 0.01 -0.78 0.00 1.33 0.00 0.00 0.00 179.25 179.82 3i1t n VAL 45 N -4.16 1.10 -0.10 0.00 0.24 -1.13 -2.61 118.33 111.67 3i1t n VAL 45 Ca -0.03 -0.71 -0.19 0.00 -2.04 0.00 0.00 64.34 61.37 3i1t n VAL 45 Cb 0.20 -0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.47 3i1t n VAL 45 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i1t n LEU 46 N 0.60 1.88 0.03 1.34 -0.00 -0.52 -4.18 117.00 116.15 3i1t n LEU 46 Ca 0.16 0.44 -0.06 0.00 -0.00 0.00 0.00 56.01 56.55 3i1t n LEU 46 Cb 0.59 -0.90 -0.11 0.00 -0.00 0.00 0.00 43.42 42.99 3i1t n LEU 46 CO 0.15 0.14 -0.19 -0.37 -0.00 0.00 0.00 177.39 177.12 3i1t h VAL 47 N -1.00 1.12 -0.20 1.96 -1.51 -1.50 -3.33 116.25 111.80 3i1t h VAL 47 Ca -0.32 -2.85 -0.01 0.00 -1.23 0.00 0.00 66.70 62.29 3i1t h VAL 47 Cb 1.18 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 32.86 3i1t h VAL 47 CO -0.20 0.64 0.10 0.50 -1.23 0.00 0.00 177.57 177.38 3i1t h LYS 48 N 0.00 0.28 -1.07 5.19 3.64 -1.64 0.16 116.57 123.13 3i1t h LYS 48 Ca -0.15 -0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.50 3i1t h LYS 48 Cb 1.83 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.56 3i1t h LYS 48 CO 0.09 0.29 0.80 -0.22 -2.27 0.00 0.00 179.45 178.14 3i1t h LYS 49 N 0.20 0.00 0.18 1.90 3.64 -1.73 0.24 116.57 121.00 3i1t h LYS 49 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3i1t h LYS 49 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3i1t h LYS 49 CO -0.01 0.00 -0.09 0.28 -2.27 0.00 0.00 179.45 177.37 3i1t h VAL 50 N 0.00 0.00 -0.38 2.00 2.07 -0.98 -3.13 116.25 115.83 3i1t h VAL 50 Ca 0.51 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.31 3i1t h VAL 50 Cb 2.10 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3i1t h VAL 50 CO -0.01 0.00 -0.18 0.25 0.02 0.00 0.00 177.57 177.65 3i1t h LEU 51 N -1.03 -0.62 -2.01 2.57 5.85 0.20 0.36 115.31 120.63 3i1t h LEU 51 Ca -0.02 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3i1t h LEU 51 Cb 0.18 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3i1t h LEU 51 CO 0.04 -0.22 0.24 -0.33 -0.34 0.00 0.00 178.44 177.84 3i1t h GLU 52 N -0.12 0.00 0.03 1.25 5.08 -0.74 0.42 114.58 120.50 3i1t h GLU 52 Ca 0.19 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.30 3i1t h GLU 52 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i1t h GLU 52 CO -0.45 0.00 -1.03 1.03 -1.00 0.00 0.00 179.01 177.56 3i1t h SER 53 N 0.00 0.63 0.31 1.42 0.87 -0.99 -2.97 113.55 112.82 3i1t h SER 53 Ca 0.16 -0.53 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 3i1t h SER 53 Cb 0.64 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3i1t h SER 53 CO -0.00 1.34 -0.33 0.00 -0.53 0.00 0.00 176.83 177.31 3i1t h ALA 54 N 0.61 1.44 -0.71 6.23 0.00 0.29 0.81 119.26 127.94 3i1t h ALA 54 Ca -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3i1t h ALA 54 Cb 1.68 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 3i1t h ALA 54 CO 0.18 0.42 0.17 0.82 0.00 0.00 0.00 179.25 180.84 3i1t h ILE 55 N 0.02 1.26 -0.29 0.00 5.03 -0.36 -3.12 117.51 120.06 3i1t h ILE 55 Ca -0.00 -0.98 -0.16 0.00 -0.12 0.00 0.00 64.86 63.60 3i1t h ILE 55 Cb 0.59 0.55 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 3i1t h ILE 55 CO 0.04 0.38 -0.45 0.00 -0.68 0.00 0.00 178.15 177.44 3i1t h ALA 56 N 1.08 0.66 0.00 1.87 0.00 -1.09 -1.04 119.26 120.75 3i1t h ALA 56 Ca 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i1t h ALA 56 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i1t h ALA 56 CO 0.00 0.67 0.00 0.09 0.00 0.00 0.00 179.25 180.02 3i1t n ASN 57 N -4.02 0.00 -0.07 0.00 5.03 0.17 -0.96 115.26 115.41 3i1t n ASN 57 Ca -0.03 0.42 -0.08 0.00 0.87 0.00 0.00 54.58 55.76 3i1t n ASN 57 Cb 0.56 -0.44 -0.10 0.00 -1.02 0.00 0.00 39.78 38.78 3i1t n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1t n ALA 58 N -1.44 1.65 -0.02 5.41 0.00 -0.88 -3.79 120.51 121.45 3i1t n ALA 58 Ca 0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 3i1t n ALA 58 Cb 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 3i1t n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1t h GLU 59 N 0.00 0.11 0.07 0.00 4.39 -0.18 -3.08 114.58 115.89 3i1t h GLU 59 Ca -0.38 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 3i1t h GLU 59 Cb 1.81 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 3i1t h GLU 59 CO 0.01 0.49 -0.03 1.25 -1.16 0.00 0.00 179.01 179.56 3i1t h HIS 60 N -0.28 -0.08 -0.05 4.33 2.76 -1.30 -3.45 115.15 117.08 3i1t h HIS 60 Ca 0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3i1t h HIS 60 Cb 0.46 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3i1t h HIS 60 CO 0.07 0.50 0.00 0.09 -1.30 0.00 0.00 177.93 177.29 3i1t n ASN 61 N -4.79 0.00 -4.72 3.26 4.13 -1.25 -4.94 115.26 106.96 3i1t n ASN 61 Ca -0.08 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 3i1t n ASN 61 Cb 0.30 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 3i1t n ASN 61 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3i1t s ASP 62 N -1.13 6.50 0.00 6.41 -4.77 -1.26 -4.84 116.67 117.57 3i1t s ASP 62 Ca 0.00 2.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.97 3i1t s ASP 62 Cb 0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 3i1t s ASP 62 CO 0.00 -0.89 0.00 0.61 0.70 0.00 0.00 175.17 175.59 3i1t n GLY 63 N 3.86 4.16 0.00 2.12 0.00 -1.16 -4.55 105.19 109.62 3i1t n GLY 63 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i1t n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 64 N -0.30 0.00 -1.32 4.61 0.00 -1.26 -4.25 120.51 117.99 3i1t n ALA 64 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.89 3i1t n ALA 64 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i1t n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1t n ASP 65 N 0.00 0.83 0.03 0.00 8.00 -1.26 -4.73 116.55 119.41 3i1t n ASP 65 Ca 0.00 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.08 3i1t n ASP 65 Cb 0.00 -0.95 0.14 0.00 -0.02 0.00 0.00 41.12 40.29 3i1t n ASP 65 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3i1t n ILE 66 N 6.77 1.71 0.33 0.53 -0.00 -1.26 -2.62 119.36 124.81 3i1t n ILE 66 Ca 0.55 0.50 0.16 0.00 -0.00 0.00 0.00 62.75 63.97 3i1t n ILE 66 Cb 0.01 -1.48 0.83 0.00 -0.00 0.00 0.00 39.64 39.00 3i1t n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3i1t h ASP 67 N 0.00 0.00 -2.10 7.28 5.19 -2.02 -2.29 116.42 122.47 3i1t h ASP 67 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3i1t h ASP 67 Cb 0.04 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.14 3i1t h ASP 67 CO 0.00 0.00 -0.90 -0.90 -3.12 0.00 0.00 179.24 174.32 3i1t n ASP 68 N -2.92 2.05 -3.36 6.45 5.75 -1.08 -4.95 116.55 118.50 3i1t n ASP 68 Ca -0.02 -3.14 -0.26 0.00 -0.01 0.00 0.00 54.79 51.37 3i1t n ASP 68 Cb 0.37 -0.63 -0.08 0.00 -1.03 0.00 0.00 41.12 39.75 3i1t n ASP 68 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i1t n LEU 69 N 0.73 1.71 -4.47 -2.12 4.32 -0.87 -4.47 117.00 111.84 3i1t n LEU 69 Ca 0.26 -4.99 -0.49 0.00 -0.02 0.00 0.00 56.01 50.77 3i1t n LEU 69 Cb 0.50 0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 3i1t n LEU 69 CO 0.28 2.02 1.83 0.29 -1.22 0.00 0.00 177.39 180.59 3i1t n LYS 70 N 1.39 1.16 -1.55 3.23 4.01 -1.24 -4.16 118.16 120.99 3i1t n LYS 70 Ca 0.25 0.30 -0.22 0.00 -0.51 0.00 0.00 58.31 58.13 3i1t n LYS 70 Cb 0.46 -2.58 -0.07 0.00 -0.51 0.00 0.00 35.03 32.34 3i1t n LYS 70 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 3i1t n VAL 71 N 7.32 -0.03 0.00 -0.18 3.14 -0.21 -3.66 118.33 124.71 3i1t n VAL 71 Ca 0.40 -0.59 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3i1t n VAL 71 Cb 0.27 -2.15 0.00 0.00 -1.06 0.00 0.00 33.84 30.90 3i1t n VAL 71 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i1t n THR 72 N 8.36 0.00 -1.79 1.55 -2.24 -0.73 -2.01 114.28 117.42 3i1t n THR 72 Ca 0.45 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.84 3i1t n THR 72 Cb 0.45 -0.46 0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3i1t n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1t s LYS 73 N 0.00 3.26 -0.30 -0.78 -0.14 -0.86 -3.95 119.74 116.98 3i1t s LYS 73 Ca 0.00 2.27 -0.09 0.00 -1.36 0.00 0.00 55.97 56.79 3i1t s LYS 73 Cb 0.00 -2.34 0.17 0.00 -1.68 0.00 0.00 37.83 33.97 3i1t s LYS 73 CO 0.00 -1.10 0.82 -1.50 -0.76 0.00 0.00 175.35 172.81 3i1t s ILE 74 N -1.28 -0.71 -0.23 2.17 2.07 -1.26 -1.29 121.20 120.67 3i1t s ILE 74 Ca 0.69 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.80 3i1t s ILE 74 Cb -0.41 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.25 3i1t s ILE 74 CO 0.49 0.00 0.56 0.72 -1.91 0.00 0.00 174.94 174.80 3i1t s PHE 75 N 2.78 -0.84 0.07 3.50 -0.71 -0.73 -4.92 117.98 117.12 3i1t s PHE 75 Ca 0.04 1.73 -0.05 0.00 -1.04 0.00 0.00 56.93 57.61 3i1t s PHE 75 Cb -0.11 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 3i1t s PHE 75 CO -0.17 -0.44 0.31 0.54 -1.34 0.00 0.00 175.22 174.12 3i1t s VAL 76 N 1.47 5.25 0.10 -2.49 0.11 -1.26 -2.24 120.40 121.34 3i1t s VAL 76 Ca -0.09 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 3i1t s VAL 76 Cb -0.06 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 3i1t s VAL 76 CO -0.16 0.21 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.89 3i1t s ASP 77 N -2.08 1.76 0.29 3.54 1.11 -1.13 -4.94 116.67 115.23 3i1t s ASP 77 Ca 0.34 -0.77 -0.29 0.00 0.18 0.00 0.00 52.55 52.01 3i1t s ASP 77 Cb -0.13 -0.04 -0.10 0.00 1.07 0.00 0.00 42.92 43.72 3i1t s ASP 77 CO 0.21 -0.17 1.25 -1.61 1.18 0.00 0.00 175.17 176.04 3i1t s GLU 78 N -2.51 4.44 0.00 8.23 2.02 -1.26 0.10 118.70 129.72 3i1t s GLU 78 Ca 0.05 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3i1t s GLU 78 Cb -0.05 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.05 3i1t s GLU 78 CO 0.02 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3i1t n GLY 79 N 1.22 3.40 3.59 -1.39 0.00 -1.26 -4.73 105.19 106.02 3i1t n GLY 79 Ca 0.01 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3i1t n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1t s PRO 80 N 2.55 3.47 0.18 1.61 0.04 -1.26 -4.67 135.00 136.92 3i1t s PRO 80 Ca 0.00 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3i1t s PRO 80 Cb 0.00 -4.05 -0.09 0.00 0.04 0.00 0.00 34.50 30.40 3i1t s PRO 80 CO 0.00 -1.72 1.43 -1.12 0.04 0.00 0.00 177.00 175.63 3i1t s SER 81 N 3.70 6.74 -0.26 6.66 0.01 -1.26 -4.21 113.70 125.06 3i1t s SER 81 Ca 0.51 2.51 -0.13 0.00 1.31 0.00 0.00 55.95 60.14 3i1t s SER 81 Cb -0.10 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 3i1t s SER 81 CO 0.28 -0.68 0.30 -0.04 0.41 0.00 0.00 173.24 173.51 3i1t s MET 82 N 0.43 4.01 0.05 12.44 -1.94 -0.55 -4.90 119.30 128.84 3i1t s MET 82 Ca 0.63 -0.08 -0.30 0.00 -1.71 0.00 0.00 55.69 54.23 3i1t s MET 82 Cb -0.40 -3.64 -0.05 0.00 2.01 0.00 0.00 34.83 32.76 3i1t s MET 82 CO 0.36 -0.20 1.09 0.15 -0.01 0.00 0.00 175.02 176.40 3i1t s LYS 83 N 1.84 4.51 0.23 2.03 -0.14 -1.26 -2.15 119.74 124.80 3i1t s LYS 83 Ca 0.12 1.60 -0.03 0.00 -1.36 0.00 0.00 55.97 56.31 3i1t s LYS 83 Cb -0.16 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 3i1t s LYS 83 CO 0.10 -0.12 0.23 0.50 -0.76 0.00 0.00 175.35 175.30 3i1t s ARG 84 N 0.88 1.36 -0.01 1.68 6.06 -1.24 -5.01 118.95 122.67 3i1t s ARG 84 Ca 0.55 -1.60 0.03 0.00 -2.50 0.00 0.00 55.73 52.21 3i1t s ARG 84 Cb -0.26 0.32 -0.01 0.00 0.06 0.00 0.00 34.95 35.07 3i1t s ARG 84 CO 0.29 -0.49 -0.11 0.96 -2.50 0.00 0.00 175.30 173.46 3i1t s ILE 85 N -4.00 0.86 -0.25 4.11 -5.25 -1.26 -4.40 121.20 111.01 3i1t s ILE 85 Ca 0.35 -0.45 0.01 0.00 -0.99 0.00 0.00 60.65 59.57 3i1t s ILE 85 Cb 0.05 -0.72 0.07 0.00 2.95 0.00 0.00 42.46 44.80 3i1t s ILE 85 CO 0.13 0.25 -0.03 -0.32 -1.79 0.00 0.00 174.94 173.18 3i1t s MET 86 N -0.19 1.55 -0.26 0.37 1.75 -1.09 -4.97 119.30 116.46 3i1t s MET 86 Ca 0.03 -1.09 -0.29 0.00 -1.25 0.00 0.00 55.69 53.09 3i1t s MET 86 Cb -0.05 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.99 3i1t s MET 86 CO -0.00 -0.66 1.75 -1.25 -0.65 0.00 0.00 175.02 174.20 3i1t s PRO 87 N 1.36 3.57 0.22 4.11 0.04 -1.26 -2.30 135.00 140.74 3i1t s PRO 87 Ca -0.03 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3i1t s PRO 87 Cb -0.19 -4.13 0.03 0.00 0.04 0.00 0.00 34.50 30.25 3i1t s PRO 87 CO -0.08 -1.58 0.29 -2.13 0.04 0.00 0.00 177.00 173.54 3i1t n ARG 88 N 8.07 0.90 -0.99 4.56 0.63 0.17 -4.99 116.66 125.00 3i1t n ARG 88 Ca 0.21 -1.24 -0.31 0.00 -0.92 0.00 0.00 57.85 55.59 3i1t n ARG 88 Cb 0.46 -0.05 0.13 0.00 0.45 0.00 0.00 32.46 33.44 3i1t n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1t s ALA 89 N -2.28 1.85 0.00 5.13 0.00 -1.26 -2.97 121.76 122.23 3i1t s ALA 89 Ca 0.22 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3i1t s ALA 89 Cb -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3i1t s ALA 89 CO 0.14 -2.28 0.00 1.63 0.00 0.00 0.00 175.76 175.25 3i1t n LYS 90 N -3.81 -0.98 -2.49 0.00 5.02 -1.26 -2.30 118.16 112.34 3i1t n LYS 90 Ca 0.11 0.25 -0.05 0.00 -2.02 0.00 0.00 58.31 56.60 3i1t n LYS 90 Cb 0.52 -4.35 0.02 0.00 -0.02 0.00 0.00 35.03 31.21 3i1t n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1t n GLY 91 N -0.68 0.37 3.46 0.72 0.00 -1.16 -5.05 105.19 102.85 3i1t n GLY 91 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3i1t n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 92 N -4.67 2.96 -0.16 1.61 0.52 -0.97 -4.98 118.95 113.26 3i1t s ARG 92 Ca 0.05 -0.65 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 3i1t s ARG 92 Cb -0.02 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 3i1t s ARG 92 CO 0.18 0.45 0.11 0.00 0.02 0.00 0.00 175.30 176.06 3i1t s ALA 93 N -0.26 3.68 0.48 2.13 0.00 -1.26 -0.66 121.76 125.86 3i1t s ALA 93 Ca 0.02 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3i1t s ALA 93 Cb -0.13 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.02 3i1t s ALA 93 CO 0.03 0.35 0.65 -0.51 0.00 0.00 0.00 175.76 176.28 3i1t s ASP 94 N -0.20 5.45 -0.12 0.00 1.11 -0.97 -4.93 116.67 117.00 3i1t s ASP 94 Ca 0.10 -0.53 0.01 0.00 0.18 0.00 0.00 52.55 52.31 3i1t s ASP 94 Cb -0.12 -0.37 -0.24 0.00 1.07 0.00 0.00 42.92 43.27 3i1t s ASP 94 CO 0.01 -0.97 0.36 -1.14 1.18 0.00 0.00 175.17 174.60 3i1t n ARG 95 N -2.01 0.71 -2.99 8.23 3.00 -1.26 -2.68 116.66 119.66 3i1t n ARG 95 Ca 0.10 0.24 -0.26 0.00 -0.00 0.00 0.00 57.85 57.94 3i1t n ARG 95 Cb 0.60 -1.70 0.02 0.00 0.00 0.00 0.00 32.46 31.38 3i1t n ARG 95 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i1t n ILE 96 N -3.28 -2.62 -2.40 5.15 3.06 -1.26 -3.71 119.36 114.29 3i1t n ILE 96 Ca -0.29 0.03 -0.41 0.00 -2.50 0.00 0.00 62.75 59.58 3i1t n ILE 96 Cb 1.05 -2.38 -0.03 0.00 0.54 0.00 0.00 39.64 38.81 3i1t n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3i1t s LEU 97 N -2.43 4.44 -0.72 9.51 2.01 -1.26 -3.81 118.68 126.42 3i1t s LEU 97 Ca 0.20 2.18 -0.07 0.00 0.01 0.00 0.00 54.13 56.44 3i1t s LEU 97 Cb -0.02 -3.60 0.19 0.00 0.01 0.00 0.00 46.19 42.77 3i1t s LEU 97 CO 0.64 -0.36 0.59 -0.54 1.01 0.00 0.00 176.35 177.69 3i1t s LYS 98 N -0.07 3.04 0.85 1.70 1.02 -0.91 -4.93 119.74 120.43 3i1t s LYS 98 Ca 0.53 -2.55 -0.11 0.00 0.02 0.00 0.00 55.97 53.86 3i1t s LYS 98 Cb -0.32 -4.03 0.10 0.00 -0.52 0.00 0.00 37.83 33.06 3i1t s LYS 98 CO 0.35 -1.23 1.09 1.03 -0.92 0.00 0.00 175.35 175.68 3i1t s ARG 99 N -0.04 1.66 0.00 1.68 0.52 -1.26 -1.48 118.95 120.03 3i1t s ARG 99 Ca 0.18 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 3i1t s ARG 99 Cb -0.16 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3i1t s ARG 99 CO -0.06 -2.01 0.00 0.25 0.02 0.00 0.00 175.30 173.50 3i1t n THR 100 N -3.75 0.00 0.00 0.02 -2.24 -1.14 -4.19 114.28 102.98 3i1t n THR 100 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3i1t n THR 100 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3i1t n THR 100 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i1t n SER 101 N 0.00 0.00 -3.92 3.42 3.41 -1.09 -2.93 113.62 112.51 3i1t n SER 101 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 3i1t n SER 101 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3i1t n SER 101 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3i1t s HIS 102 N -2.00 3.03 -0.55 7.33 3.76 0.11 -1.98 115.29 124.99 3i1t s HIS 102 Ca 0.00 -2.99 -0.27 0.00 -0.15 0.00 0.00 55.06 51.65 3i1t s HIS 102 Cb 0.00 -2.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 3i1t s HIS 102 CO 0.00 -0.78 1.74 0.42 -0.85 0.00 0.00 174.74 175.27 3i1t s ILE 103 N 0.03 3.48 -0.20 0.60 1.09 0.58 -2.82 121.20 123.95 3i1t s ILE 103 Ca 0.16 0.36 -0.13 0.00 -1.10 0.00 0.00 60.65 59.94 3i1t s ILE 103 Cb -0.25 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.10 3i1t s ILE 103 CO -0.02 -0.89 0.27 -0.89 -0.10 0.00 0.00 174.94 173.31 3i1t s THR 104 N 7.96 5.30 -0.03 2.92 2.01 -0.95 -1.04 115.64 131.81 3i1t s THR 104 Ca 0.66 0.44 0.03 0.00 0.31 0.00 0.00 61.69 63.13 3i1t s THR 104 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3i1t s THR 104 CO 0.24 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 3i1t s VAL 105 N 0.93 0.83 -0.06 3.82 1.01 -0.06 -1.78 120.40 125.09 3i1t s VAL 105 Ca 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3i1t s VAL 105 Cb -0.13 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.53 3i1t s VAL 105 CO 0.05 0.26 0.00 -0.69 0.00 0.00 0.00 175.10 174.72 3i1t s VAL 106 N 0.21 0.31 -0.26 2.92 1.01 -0.41 -1.44 120.40 122.74 3i1t s VAL 106 Ca -0.04 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3i1t s VAL 106 Cb -0.09 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.90 3i1t s VAL 106 CO 0.01 0.24 -0.00 0.54 0.00 0.00 0.00 175.10 175.88 3i1t s VAL 107 N 1.82 1.45 0.00 2.92 0.11 -1.22 -1.78 120.40 123.70 3i1t s VAL 107 Ca 0.02 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.69 3i1t s VAL 107 Cb -0.13 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 3i1t s VAL 107 CO -0.04 -0.29 0.00 -0.24 -3.33 0.00 0.00 175.10 171.20 3i1t n SER 108 N 4.66 0.00 0.04 3.54 2.88 -1.24 -4.59 113.62 118.91 3i1t n SER 108 Ca -0.07 -0.69 0.02 0.00 -1.33 0.00 0.00 58.87 56.80 3i1t n SER 108 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 3i1t n SER 108 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3i1t n ASP 109 N -2.07 0.80 0.00 -3.46 5.68 -1.26 -3.73 116.55 112.51 3i1t n ASP 109 Ca 0.00 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 3i1t n ASP 109 Cb 0.00 0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3i1t n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73