#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n GLY 7 N 0.00 1.15 3.63 -0.02 0.00 -1.26 -5.10 105.19 103.60 3i1t n GLY 7 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i1t n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1t s SER 8 N -1.70 -0.58 0.00 1.61 0.15 -1.26 -5.15 113.70 106.77 3i1t s SER 8 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 3i1t s SER 8 Cb 0.00 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 3i1t s SER 8 CO 0.00 -0.20 0.00 1.07 1.20 0.00 0.00 173.24 175.31 3i1t n THR 9 N 2.40 0.00 -2.75 6.45 5.66 -1.26 -5.12 114.28 119.66 3i1t n THR 9 Ca -0.13 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.84 3i1t n THR 9 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3i1t n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1t n ARG 10 N 0.00 -1.45 -0.03 1.09 1.74 -1.26 -4.91 116.66 111.84 3i1t n ARG 10 Ca 0.00 1.54 0.10 0.00 -0.77 0.00 0.00 57.85 58.72 3i1t n ARG 10 Cb 0.00 -5.09 0.50 0.00 -1.02 0.00 0.00 32.46 26.86 3i1t n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i1t n ASN 11 N -1.17 0.69 0.00 0.55 5.15 -1.26 -4.99 115.26 114.23 3i1t n ASN 11 Ca 0.04 -1.51 0.00 0.00 -0.60 0.00 0.00 54.58 52.51 3i1t n ASN 11 Cb 0.46 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 3i1t n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1t n GLY 12 N 0.95 1.62 0.00 8.20 0.00 -1.26 -4.93 105.19 109.76 3i1t n GLY 12 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1t n ARG 13 N 0.00 0.00 0.04 1.61 3.00 -1.26 -5.09 116.66 114.96 3i1t n ARG 13 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 3i1t n ARG 13 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 3i1t n ARG 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3i1t h ASP 14 N 0.00 -0.14 0.00 6.15 3.45 -2.07 -3.46 116.42 120.35 3i1t h ASP 14 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1t h ASP 14 Cb 0.00 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3i1t h ASP 14 CO 0.00 0.16 0.00 -1.20 -1.57 0.00 0.00 179.24 176.63 3i1t n SER 15 N -3.89 0.00 0.00 6.45 7.64 -1.26 -4.74 113.62 117.82 3i1t n SER 15 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3i1t n SER 15 Cb 0.07 -1.97 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 3i1t n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1t n GLU 16 N -2.00 0.00 -0.29 1.43 -0.58 -1.26 -4.93 120.64 113.01 3i1t n GLU 16 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 3i1t n GLU 16 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3i1t n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1t n ALA 17 N 7.31 -0.75 0.00 0.62 0.00 -1.26 -4.94 120.51 121.49 3i1t n ALA 17 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3i1t n ALA 17 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3i1t n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1t n LYS 18 N -2.80 0.00 -1.58 0.00 3.00 -1.26 -4.67 118.16 110.84 3i1t n LYS 18 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 3i1t n LYS 18 Cb 0.13 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.21 3i1t n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1t n ARG 19 N 2.22 0.85 -1.62 1.64 1.85 -1.26 -3.55 116.66 116.79 3i1t n ARG 19 Ca 0.00 0.33 0.03 0.00 -1.00 0.00 0.00 57.85 57.21 3i1t n ARG 19 Cb 0.00 -2.06 0.02 0.00 -1.05 0.00 0.00 32.46 29.37 3i1t n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i1t n LEU 20 N -0.41 0.97 -2.69 2.89 4.32 -1.26 -4.71 117.00 116.11 3i1t n LEU 20 Ca 0.13 -2.11 0.00 0.00 -0.02 0.00 0.00 56.01 54.01 3i1t n LEU 20 Cb 0.47 0.05 0.05 0.00 -1.62 0.00 0.00 43.42 42.37 3i1t n LEU 20 CO 0.50 0.60 0.06 0.61 -1.22 0.00 0.00 177.39 177.94 3i1t n GLY 21 N 0.36 1.73 3.56 -0.72 0.00 -1.26 -4.71 105.19 104.15 3i1t n GLY 21 Ca 0.05 -0.95 -0.63 0.00 0.00 0.00 0.00 46.02 44.49 3i1t n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1t n VAL 22 N -0.59 0.06 -1.28 1.61 0.24 -1.26 -4.52 118.33 112.58 3i1t n VAL 22 Ca 0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3i1t n VAL 22 Cb 0.84 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3i1t n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3i1t n LYS 23 N 5.65 0.00 -1.01 7.34 -0.00 -1.26 -4.74 118.16 124.13 3i1t n LYS 23 Ca 0.39 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.34 3i1t n LYS 23 Cb -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.06 3i1t n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1t n ARG 24 N -0.47 0.00 0.00 -1.58 1.74 -0.90 -4.15 116.66 111.31 3i1t n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1t n ARG 24 Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3i1t n ARG 24 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i1t n PHE 25 N -2.34 0.00 -0.30 -1.55 -0.00 -1.26 -4.67 117.46 107.34 3i1t n PHE 25 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.30 3i1t n PHE 25 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.99 3i1t n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i1t n GLY 26 N -0.40 1.84 3.69 7.13 0.00 -1.26 -3.64 105.19 112.56 3i1t n GLY 26 Ca 0.00 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 3i1t n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 27 N 4.14 1.37 0.00 -0.02 0.00 0.72 -4.93 105.19 106.48 3i1t n GLY 27 Ca 0.20 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3i1t n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1t n GLU 28 N 3.97 0.17 -0.32 1.61 4.07 -1.26 -2.41 120.64 126.47 3i1t n GLU 28 Ca 0.17 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.45 3i1t n GLU 28 Cb 0.32 0.00 0.42 0.00 -0.06 0.00 0.00 31.44 32.13 3i1t n GLU 28 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3i1t h SER 29 N 0.00 0.60 -1.96 4.31 0.02 -1.92 -3.38 113.55 111.21 3i1t h SER 29 Ca 0.00 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3i1t h SER 29 Cb 0.00 -0.01 -0.23 0.00 0.14 0.00 0.00 62.40 62.29 3i1t h SER 29 CO 0.00 0.17 -0.26 0.54 -1.14 0.00 0.00 176.83 176.14 3i1t s VAL 30 N -5.65 -0.85 -0.18 2.27 0.11 -1.26 -4.39 120.40 110.44 3i1t s VAL 30 Ca -0.10 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3i1t s VAL 30 Cb 0.25 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3i1t s VAL 30 CO 0.80 0.01 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.77 3i1t s LEU 31 N 2.77 3.05 0.00 2.54 1.43 -1.26 -4.94 118.68 122.28 3i1t s LEU 31 Ca 0.02 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3i1t s LEU 31 Cb -0.13 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3i1t s LEU 31 CO -0.17 0.08 0.19 0.00 0.23 0.00 0.00 176.35 176.69 3i1t n ALA 32 N 4.10 1.56 -1.53 4.21 0.00 -1.26 -3.20 120.51 124.40 3i1t n ALA 32 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 3i1t n ALA 32 Cb 0.52 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.84 3i1t n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 33 N 0.28 -0.28 0.00 0.00 0.00 -1.26 -2.54 105.19 101.39 3i1t n GLY 33 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i1t n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1t n SER 34 N 13.82 0.00 0.00 1.61 2.88 -1.26 -4.57 113.62 126.11 3i1t n SER 34 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 3i1t n SER 34 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3i1t n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i1t n ILE 35 N 0.00 0.00 -2.93 2.46 5.41 -1.05 -3.12 119.36 120.13 3i1t n ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3i1t n ILE 35 Cb 0.00 -0.41 -0.01 0.00 -0.71 0.00 0.00 39.64 38.51 3i1t n ILE 35 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3i1t n ILE 36 N 0.00 -6.74 -0.50 1.39 5.41 -1.26 -3.98 119.36 113.66 3i1t n ILE 36 Ca 0.00 1.22 -0.29 0.00 1.00 0.00 0.00 62.75 64.67 3i1t n ILE 36 Cb 0.00 -4.71 0.24 0.00 -0.71 0.00 0.00 39.64 34.46 3i1t n ILE 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3i1t n VAL 37 N 1.44 0.00 0.00 1.39 0.24 -1.25 -2.36 118.33 117.79 3i1t n VAL 37 Ca -0.08 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3i1t n VAL 37 Cb 0.29 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 3i1t n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1t n ARG 38 N -4.03 0.00 -1.54 7.34 1.74 -1.26 -4.85 116.66 114.06 3i1t n ARG 38 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3i1t n ARG 38 Cb 0.57 -0.35 -0.10 0.00 -1.02 0.00 0.00 32.46 31.55 3i1t n ARG 38 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1t n GLN 39 N 0.00 0.20 -0.22 5.56 0.00 -0.99 -4.54 117.38 117.38 3i1t n GLN 39 Ca 0.00 -1.37 0.09 0.00 -0.00 0.00 0.00 57.00 55.72 3i1t n GLN 39 Cb 0.00 -3.67 0.21 0.00 0.00 0.00 0.00 30.24 26.78 3i1t n GLN 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3i1t n ARG 40 N 8.06 2.52 0.00 3.69 0.63 -1.26 -4.65 116.66 125.65 3i1t n ARG 40 Ca 0.41 -2.22 0.00 0.00 -0.92 0.00 0.00 57.85 55.11 3i1t n ARG 40 Cb 0.45 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.94 3i1t n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1t n GLY 41 N 1.13 0.04 0.00 5.14 0.00 -1.26 -4.88 105.19 105.36 3i1t n GLY 41 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 3i1t n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1t n THR 42 N 0.00 1.21 -2.98 2.61 -1.04 -1.26 -4.07 114.28 108.75 3i1t n THR 42 Ca 0.00 0.30 0.02 0.00 -2.04 0.00 0.00 64.05 62.34 3i1t n THR 42 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 3i1t n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i1t s LYS 43 N -2.87 0.35 1.19 -2.82 -0.14 -1.26 -5.03 119.74 109.15 3i1t s LYS 43 Ca 0.06 -0.02 -0.20 0.00 -1.36 0.00 0.00 55.97 54.45 3i1t s LYS 43 Cb 0.06 0.07 0.30 0.00 -1.68 0.00 0.00 37.83 36.58 3i1t s LYS 43 CO 0.16 -0.54 0.90 1.19 -0.76 0.00 0.00 175.35 176.30 3i1t n PHE 44 N 4.28 -3.74 -4.54 3.18 3.72 -1.26 -4.79 117.46 114.32 3i1t n PHE 44 Ca 0.08 -0.83 -0.24 0.00 -0.05 0.00 0.00 57.45 56.41 3i1t n PHE 44 Cb 0.60 -1.06 -0.14 0.00 -0.94 0.00 0.00 39.48 37.94 3i1t n PHE 44 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 3i1t s HIS 45 N -2.48 1.65 -0.02 1.38 -3.43 -1.26 -1.65 115.29 109.48 3i1t s HIS 45 Ca 0.62 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 3i1t s HIS 45 Cb -0.08 -0.98 0.00 0.00 -1.43 0.00 0.00 32.58 30.09 3i1t s HIS 45 CO 0.49 0.09 0.00 0.00 -2.00 0.00 0.00 174.74 173.32 3i1t n ALA 46 N 1.80 0.00 -0.44 -1.38 0.00 -1.21 -4.75 120.51 114.53 3i1t n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i1t n ALA 46 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 47 N 0.00 0.59 1.56 0.00 0.00 -1.26 -1.73 105.19 104.35 3i1t n GLY 47 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3i1t n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n ALA 48 N 1.30 4.12 -2.64 4.61 0.00 -1.26 -3.75 120.51 122.88 3i1t n ALA 48 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 53.44 52.71 3i1t n ALA 48 Cb 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.38 3i1t n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1t n ASN 49 N 0.75 -1.18 -4.69 0.00 6.94 -1.06 -3.06 115.26 112.95 3i1t n ASN 49 Ca 0.13 -1.90 -0.38 0.00 -0.02 0.00 0.00 54.58 52.42 3i1t n ASN 49 Cb 0.60 0.67 0.06 0.00 -2.36 0.00 0.00 39.78 38.74 3i1t n ASN 49 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3i1t n VAL 50 N -0.79 4.25 0.00 3.53 0.24 -0.70 -3.44 118.33 121.41 3i1t n VAL 50 Ca -0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3i1t n VAL 50 Cb 0.74 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 3i1t n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1t n GLY 51 N 1.01 1.41 3.40 7.63 0.00 -0.99 -3.56 105.19 114.09 3i1t n GLY 51 Ca 0.14 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3i1t n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t n GLY 53 N -1.68 -1.61 0.82 0.00 0.00 -1.21 -4.75 105.19 96.75 3i1t n GLY 53 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3i1t n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t n ARG 54 N 0.00 0.10 -0.03 1.61 1.74 -1.26 -4.65 116.66 114.16 3i1t n ARG 54 Ca 0.00 0.04 -0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3i1t n ARG 54 Cb 0.00 -0.60 0.01 0.00 -1.02 0.00 0.00 32.46 30.85 3i1t n ARG 54 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i1t n ASP 55 N -3.49 2.51 0.00 0.55 5.75 -1.26 -4.76 116.55 115.85 3i1t n ASP 55 Ca -0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3i1t n ASP 55 Cb 0.10 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 3i1t n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i1t n HIS 56 N 0.34 0.00 -1.52 2.11 8.25 -1.26 -3.93 115.22 119.20 3i1t n HIS 56 Ca 0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 3i1t n HIS 56 Cb 0.46 -0.92 -0.12 0.00 1.12 0.00 0.00 29.99 30.53 3i1t n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i1t n THR 57 N -2.05 -0.03 -1.68 1.59 -1.04 -1.26 -4.60 114.28 105.22 3i1t n THR 57 Ca 0.00 -0.41 -0.44 0.00 -2.04 0.00 0.00 64.05 61.16 3i1t n THR 57 Cb 0.03 -1.28 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 3i1t n THR 57 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i1t n LEU 58 N 12.34 3.72 -4.34 -4.42 -0.00 -1.18 -3.36 117.00 119.76 3i1t n LEU 58 Ca 0.55 1.00 -0.32 0.00 -0.00 0.00 0.00 56.01 57.25 3i1t n LEU 58 Cb 0.26 -1.48 -0.15 0.00 -0.00 0.00 0.00 43.42 42.05 3i1t n LEU 58 CO 0.85 0.03 -0.52 0.12 -0.00 0.00 0.00 177.39 177.87 3i1t s PHE 59 N 2.65 2.57 -0.60 1.96 5.36 -1.26 -4.11 117.98 124.56 3i1t s PHE 59 Ca 0.84 -0.58 -0.20 0.00 -0.96 0.00 0.00 56.93 56.03 3i1t s PHE 59 Cb -0.57 -1.65 0.08 0.00 -0.34 0.00 0.00 43.02 40.54 3i1t s PHE 59 CO 0.41 -0.12 0.79 0.00 -1.46 0.00 0.00 175.22 174.83 3i1t s ALA 60 N -0.20 3.30 0.07 11.12 0.00 -1.19 -2.35 121.76 132.51 3i1t s ALA 60 Ca -0.02 -1.97 -0.31 0.00 0.00 0.00 0.00 51.96 49.67 3i1t s ALA 60 Cb -0.13 -3.61 -0.18 0.00 0.00 0.00 0.00 23.12 19.19 3i1t s ALA 60 CO 0.03 -2.43 1.61 -0.22 0.00 0.00 0.00 175.76 174.76 3i1t h LYS 61 N 9.28 -0.72 0.00 0.00 3.64 -1.60 -3.38 116.57 123.79 3i1t h LYS 61 Ca -0.29 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3i1t h LYS 61 Cb 1.08 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3i1t h LYS 61 CO 1.10 -0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 3i1t n ALA 62 N -2.43 0.00 -2.43 5.00 0.00 -1.17 -4.82 120.51 114.65 3i1t n ALA 62 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 3i1t n ALA 62 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 3i1t n ALA 62 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i1t s ASP 63 N -1.00 3.20 0.00 0.00 -4.77 -1.26 -4.59 116.67 108.25 3i1t s ASP 63 Ca 0.00 -0.96 0.00 0.00 -3.30 0.00 0.00 52.55 48.29 3i1t s ASP 63 Cb 0.00 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.60 3i1t s ASP 63 CO 0.00 0.01 0.00 0.61 0.70 0.00 0.00 175.17 176.49 3i1t n GLY 64 N -0.21 0.37 3.81 2.12 0.00 -1.01 -4.05 105.19 106.22 3i1t n GLY 64 Ca -0.09 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 3i1t n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 65 N -2.00 3.02 -0.21 1.61 3.01 -1.22 -0.20 119.74 123.76 3i1t s LYS 65 Ca 0.00 -0.64 -0.29 0.00 -1.01 0.00 0.00 55.97 54.03 3i1t s LYS 65 Cb 0.00 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 34.02 3i1t s LYS 65 CO 0.00 0.57 1.14 0.08 0.51 0.00 0.00 175.35 177.65 3i1t s VAL 66 N -1.44 4.50 0.17 3.17 1.01 -1.26 -0.65 120.40 125.90 3i1t s VAL 66 Ca 0.31 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 64.08 3i1t s VAL 66 Cb -0.12 -4.19 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 3i1t s VAL 66 CO 0.24 -0.18 1.43 0.50 0.00 0.00 0.00 175.10 177.08 3i1t h LYS 67 N 7.82 0.42 -6.62 2.72 3.64 -0.31 -2.38 116.57 121.86 3i1t h LYS 67 Ca -0.22 -0.34 -0.53 0.00 -1.27 0.00 0.00 60.65 58.29 3i1t h LYS 67 Cb 1.08 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.85 3i1t h LYS 67 CO 0.98 0.98 -0.87 0.34 -2.27 0.00 0.00 179.45 178.62 3i1t n PHE 68 N -3.84 -1.69 -1.75 1.91 -0.00 -1.20 -4.82 117.46 106.08 3i1t n PHE 68 Ca -0.04 0.77 -0.34 0.00 -0.00 0.00 0.00 57.45 57.83 3i1t n PHE 68 Cb 0.71 -3.39 0.06 0.00 -0.00 0.00 0.00 39.48 36.86 3i1t n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3i1t s GLU 69 N -6.75 2.65 0.00 -4.13 2.12 -1.26 -4.89 118.70 106.44 3i1t s GLU 69 Ca 0.31 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.31 3i1t s GLU 69 Cb -0.17 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.32 3i1t s GLU 69 CO 0.91 -1.42 0.67 1.55 -0.54 0.00 0.00 175.26 176.42 3i1t n VAL 70 N -2.21 0.41 0.00 3.70 3.14 -1.24 -4.05 118.33 118.08 3i1t n VAL 70 Ca 0.12 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 3i1t n VAL 70 Cb 0.51 0.87 0.00 0.00 -1.06 0.00 0.00 33.84 34.16 3i1t n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i1t n LYS 71 N -0.21 0.42 0.00 1.45 5.02 -1.25 -4.50 118.16 119.09 3i1t n LYS 71 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1t n LYS 71 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 3i1t n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1t n GLY 72 N 5.00 -0.64 3.78 0.72 0.00 -1.26 -4.16 105.19 108.63 3i1t n GLY 72 Ca 0.00 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 3i1t n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1t s PRO 73 N -1.35 4.14 -1.02 1.61 0.02 -1.26 -4.18 135.00 132.97 3i1t s PRO 73 Ca 0.00 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 62.48 3i1t s PRO 73 Cb 0.00 -2.62 0.02 0.00 0.02 0.00 0.00 34.50 31.93 3i1t s PRO 73 CO 0.00 -0.19 0.63 1.17 -0.33 0.00 0.00 177.00 178.28 3i1t n LYS 74 N 0.03 -0.86 0.00 5.54 4.81 -1.26 -4.12 118.16 122.30 3i1t n LYS 74 Ca 0.05 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3i1t n LYS 74 Cb 0.48 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3i1t n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1t n ASN 75 N -2.36 0.00 -0.69 3.14 2.85 -1.26 -4.98 115.26 111.97 3i1t n ASN 75 Ca -0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 3i1t n ASN 75 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 3i1t n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i1t n ARG 76 N 0.00 0.00 0.00 1.20 3.00 -1.26 -4.31 116.66 115.29 3i1t n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i1t n ARG 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1t n ARG 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1t n LYS 77 N -1.37 0.00 0.00 -0.14 5.02 -1.26 -4.74 118.16 115.67 3i1t n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1t n LYS 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i1t n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i1t n PHE 78 N 0.00 0.00 -3.72 2.13 3.72 -1.26 -3.66 117.46 114.67 3i1t n PHE 78 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3i1t n PHE 78 Cb 0.00 -0.16 -0.15 0.00 -0.94 0.00 0.00 39.48 38.23 3i1t n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i1t s ILE 79 N -3.10 -0.11 0.34 4.37 1.01 -0.66 -4.11 121.20 118.94 3i1t s ILE 79 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.94 3i1t s ILE 79 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 3i1t s ILE 79 CO 0.00 0.11 0.11 -1.20 0.00 0.00 0.00 174.94 173.96 3i1t n SER 80 N 4.61 1.29 -4.19 3.58 7.64 -1.26 -3.34 113.62 121.94 3i1t n SER 80 Ca -0.19 -2.77 -0.12 0.00 1.01 0.00 0.00 58.87 56.81 3i1t n SER 80 Cb 0.51 0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 64.42 3i1t n SER 80 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3i1t s ILE 81 N -2.78 0.00 -0.27 0.44 -5.25 -1.26 0.42 121.20 112.50 3i1t s ILE 81 Ca 0.16 -1.98 -0.00 0.00 -0.99 0.00 0.00 60.65 57.83 3i1t s ILE 81 Cb 0.01 -2.48 0.16 0.00 2.95 0.00 0.00 42.46 43.10 3i1t s ILE 81 CO 0.11 -0.02 0.44 -0.70 -1.79 0.00 0.00 174.94 172.99 3i1t s GLU 82 N -4.15 0.42 -0.88 0.37 -6.30 0.18 -4.24 118.70 104.10 3i1t s GLU 82 Ca 0.38 0.51 -0.20 0.00 -2.50 0.00 0.00 54.97 53.16 3i1t s GLU 82 Cb 0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 34.13 33.78 3i1t s GLU 82 CO 0.12 -0.78 2.37 0.00 0.02 0.00 0.00 175.26 176.99 3i1t n ALA 83 N 5.38 0.71 -0.77 6.30 0.00 -1.26 -3.40 120.51 127.47 3i1t n ALA 83 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3i1t n ALA 83 Cb 0.50 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.24 3i1t n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89