#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n GLY 7 N 0.00 1.15 3.74 -0.02 0.00 -1.26 -5.12 105.19 103.68 3i1n n GLY 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i1n n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1n s SER 8 N -2.00 3.35 0.00 1.61 0.01 -1.26 -4.98 113.70 110.43 3i1n s SER 8 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 3i1n s SER 8 Cb 0.00 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.37 3i1n s SER 8 CO 0.00 -2.68 0.00 1.07 0.41 0.00 0.00 173.24 172.04 3i1n n THR 9 N -3.88 0.00 -1.10 1.44 5.66 -1.26 -5.16 114.28 109.98 3i1n n THR 9 Ca 0.06 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.20 3i1n n THR 9 Cb 0.57 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.28 3i1n n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1n n ARG 10 N 0.00 -2.52 0.00 1.09 1.74 -1.26 -5.07 116.66 110.64 3i1n n ARG 10 Ca 0.00 2.03 0.00 0.00 -0.77 0.00 0.00 57.85 59.11 3i1n n ARG 10 Cb 0.00 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 3i1n n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i1n n ASN 11 N -3.81 0.00 -3.65 0.55 2.85 -1.26 -5.15 115.26 104.79 3i1n n ASN 11 Ca -0.06 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.10 3i1n n ASN 11 Cb 0.52 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.82 3i1n n ASN 11 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3i1n s GLY 12 N 0.00 1.46 0.23 8.20 0.00 -1.26 -5.06 107.32 110.90 3i1n s GLY 12 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.03 3i1n s GLY 12 CO 0.00 0.19 0.14 -1.60 0.00 0.00 0.00 173.10 171.83 3i1n s ARG 13 N -5.06 2.79 0.00 2.90 3.52 -1.26 -5.06 118.95 116.78 3i1n s ARG 13 Ca 0.69 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 3i1n s ARG 13 Cb -0.14 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3i1n s ARG 13 CO 0.58 0.41 0.00 -0.25 -0.81 0.00 0.00 175.30 175.24 3i1n n ASP 14 N -0.94 0.00 0.00 -2.12 9.92 -1.26 -4.82 116.55 117.33 3i1n n ASP 14 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3i1n n ASP 14 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 3i1n n ASP 14 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3i1n n SER 15 N 0.00 0.00 0.00 -2.24 2.88 -1.26 -5.04 113.62 107.97 3i1n n SER 15 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i1n n SER 15 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1n n SER 15 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i1n n GLU 16 N 0.00 0.00 -0.92 -1.46 -0.58 -1.26 -5.02 120.64 111.40 3i1n n GLU 16 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 3i1n n GLU 16 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 3i1n n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1n n ALA 17 N 7.73 -2.08 0.00 0.62 0.00 -1.26 -4.99 120.51 120.53 3i1n n ALA 17 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3i1n n ALA 17 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3i1n n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1n n LYS 18 N -3.09 0.00 -1.67 0.00 3.00 -1.26 -4.72 118.16 110.42 3i1n n LYS 18 Ca -0.04 0.00 -0.56 0.00 -0.00 0.00 0.00 58.31 57.71 3i1n n LYS 18 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.35 3i1n n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1n n ARG 19 N 1.29 1.21 -0.06 1.64 1.85 -1.26 -3.03 116.66 118.29 3i1n n ARG 19 Ca 0.00 0.43 -0.22 0.00 -1.00 0.00 0.00 57.85 57.06 3i1n n ARG 19 Cb 0.00 -2.18 -0.13 0.00 -1.05 0.00 0.00 32.46 29.11 3i1n n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i1n n LEU 20 N 6.10 2.40 0.00 2.89 4.77 -1.26 -4.78 117.00 127.12 3i1n n LEU 20 Ca 0.29 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 56.30 3i1n n LEU 20 Cb 0.15 -1.02 0.10 0.00 -2.33 0.00 0.00 43.42 40.32 3i1n n LEU 20 CO 0.80 0.67 0.47 0.61 -1.33 0.00 0.00 177.39 178.62 3i1n n GLY 21 N 1.80 0.84 3.59 -0.72 0.00 -1.26 -4.87 105.19 104.56 3i1n n GLY 21 Ca -0.36 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.56 3i1n n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s VAL 22 N -2.64 0.00 0.00 1.61 0.11 -1.26 -4.47 120.40 113.74 3i1n s VAL 22 Ca 0.58 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 3i1n s VAL 22 Cb -0.03 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3i1n s VAL 22 CO 0.38 0.00 0.00 2.29 -3.33 0.00 0.00 175.10 174.44 3i1n n LYS 23 N -0.18 0.00 -1.16 1.54 -0.00 -1.26 -4.13 118.16 112.97 3i1n n LYS 23 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.96 3i1n n LYS 23 Cb 0.59 0.00 0.12 0.00 -0.00 0.00 0.00 35.03 35.74 3i1n n LYS 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3i1n s ARG 24 N 0.00 1.79 0.00 -1.58 1.04 -1.21 -3.01 118.95 115.98 3i1n s ARG 24 Ca 0.00 1.60 0.00 0.00 -1.04 0.00 0.00 55.73 56.29 3i1n s ARG 24 Cb 0.00 -1.81 0.00 0.00 -2.04 0.00 0.00 34.95 31.10 3i1n s ARG 24 CO 0.00 -2.07 0.00 0.34 -0.04 0.00 0.00 175.30 173.53 3i1n n PHE 25 N -3.34 0.00 -0.19 5.89 -0.00 -1.26 -4.64 117.46 113.91 3i1n n PHE 25 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.53 3i1n n PHE 25 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.96 3i1n n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i1n n GLY 26 N -0.36 -1.17 3.03 7.13 0.00 -1.26 -3.50 105.19 109.05 3i1n n GLY 26 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 3i1n n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 27 N -1.13 -1.67 3.76 -0.02 0.00 -1.25 -4.23 105.19 100.65 3i1n n GLY 27 Ca 0.02 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 3i1n n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1n s GLU 28 N -1.62 1.54 0.32 1.61 2.56 -1.26 -3.11 118.70 118.75 3i1n s GLU 28 Ca 0.08 0.65 0.04 0.00 0.00 0.00 0.00 54.97 55.74 3i1n s GLU 28 Cb -0.01 -1.86 0.13 0.00 2.00 0.00 0.00 34.13 34.39 3i1n s GLU 28 CO 0.49 -2.00 0.54 0.43 -0.56 0.00 0.00 175.26 174.16 3i1n n SER 29 N -3.69 0.00 -2.66 -1.70 7.64 -1.26 -2.70 113.62 109.24 3i1n n SER 29 Ca 0.07 0.29 -0.04 0.00 1.01 0.00 0.00 58.87 60.20 3i1n n SER 29 Cb 0.56 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 3i1n n SER 29 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3i1n n VAL 30 N -1.72 0.00 -2.20 0.44 3.14 -1.25 -3.56 118.33 113.17 3i1n n VAL 30 Ca 0.03 -0.70 -0.32 0.00 -2.96 0.00 0.00 64.34 60.39 3i1n n VAL 30 Cb 0.58 0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 34.14 3i1n n VAL 30 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i1n s LEU 31 N -1.85 3.49 0.00 6.55 1.43 -1.10 -4.39 118.68 122.81 3i1n s LEU 31 Ca 0.11 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 3i1n s LEU 31 Cb 0.17 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3i1n s LEU 31 CO -0.09 -0.73 1.95 0.00 0.23 0.00 0.00 176.35 177.72 3i1n n ALA 32 N -1.99 3.95 -1.50 4.21 0.00 -1.26 -1.58 120.51 122.35 3i1n n ALA 32 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 3i1n n ALA 32 Cb 0.54 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3i1n n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 33 N 1.85 -0.32 0.27 0.00 0.00 -1.12 -4.10 105.19 101.77 3i1n n GLY 33 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i1n n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1n n SER 34 N 12.11 -0.62 0.00 1.61 2.88 -1.25 -4.52 113.62 123.83 3i1n n SER 34 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 3i1n n SER 34 Cb 0.31 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1n n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1n n ILE 35 N 2.07 0.28 -1.51 2.46 3.06 -1.17 -2.62 119.36 121.93 3i1n n ILE 35 Ca 0.00 -0.60 -0.14 0.00 -2.50 0.00 0.00 62.75 59.51 3i1n n ILE 35 Cb 0.00 0.91 -0.10 0.00 0.54 0.00 0.00 39.64 40.99 3i1n n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3i1n n ILE 36 N -0.14 0.00 -1.01 9.51 5.41 -1.26 -4.18 119.36 127.70 3i1n n ILE 36 Ca 0.00 -0.38 -0.07 0.00 1.00 0.00 0.00 62.75 63.31 3i1n n ILE 36 Cb 0.09 -1.52 0.05 0.00 -0.71 0.00 0.00 39.64 37.55 3i1n n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i1n n VAL 37 N 8.02 0.00 -2.91 1.39 0.31 -1.26 -4.37 118.33 119.51 3i1n n VAL 37 Ca 0.45 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 3i1n n VAL 37 Cb 0.40 -1.60 0.06 0.00 -0.91 0.00 0.00 33.84 31.78 3i1n n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1n n ARG 38 N -1.84 -2.70 0.00 5.55 1.74 -1.26 -4.86 116.66 113.28 3i1n n ARG 38 Ca 0.04 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3i1n n ARG 38 Cb 0.13 -4.90 0.00 0.00 -1.02 0.00 0.00 32.46 26.67 3i1n n ARG 38 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1n n GLN 39 N -2.99 0.00 -3.14 5.56 7.27 -1.26 -4.81 117.38 118.01 3i1n n GLN 39 Ca -0.10 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.75 3i1n n GLN 39 Cb 0.60 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 33.21 3i1n n GLN 39 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3i1n n ARG 40 N -0.66 -1.29 0.12 3.69 0.00 -1.26 -3.94 116.66 113.31 3i1n n ARG 40 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3i1n n ARG 40 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 32.46 29.15 3i1n n ARG 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1n n GLY 41 N -0.73 -1.78 0.42 5.14 0.00 -1.26 -4.86 105.19 102.11 3i1n n GLY 41 Ca 0.06 0.47 0.29 0.00 0.00 0.00 0.00 46.02 46.84 3i1n n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i1n h THR 42 N 0.00 0.29 -3.80 2.61 2.02 -1.88 -3.35 112.91 108.81 3i1n h THR 42 Ca 0.00 -0.08 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 3i1n h THR 42 Cb 0.00 0.03 -0.25 0.00 -1.74 0.00 0.00 68.15 66.20 3i1n h THR 42 CO 0.00 0.04 -0.69 -0.54 0.37 0.00 0.00 175.52 174.70 3i1n s LYS 43 N -5.44 0.16 -0.01 6.66 -0.14 -1.26 -4.71 119.74 114.99 3i1n s LYS 43 Ca -0.09 -0.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.30 3i1n s LYS 43 Cb 0.28 0.06 -0.03 0.00 -1.68 0.00 0.00 37.83 36.46 3i1n s LYS 43 CO 0.81 -0.03 -0.06 -0.06 -0.76 0.00 0.00 175.35 175.25 3i1n s PHE 44 N -0.64 2.92 -0.47 3.18 0.08 -1.26 -4.39 117.98 117.41 3i1n s PHE 44 Ca -0.07 -0.01 -0.32 0.00 0.12 0.00 0.00 56.93 56.65 3i1n s PHE 44 Cb -0.04 -1.64 -0.11 0.00 -0.57 0.00 0.00 43.02 40.65 3i1n s PHE 44 CO -0.00 0.38 2.33 -2.39 -0.10 0.00 0.00 175.22 175.43 3i1n n HIS 45 N 1.70 1.42 0.00 0.36 -0.00 -1.26 -1.72 115.22 115.72 3i1n n HIS 45 Ca -0.16 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 3i1n n HIS 45 Cb 0.53 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 3i1n n HIS 45 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1n n ALA 46 N 11.59 0.00 -1.00 1.59 0.00 -0.95 -4.91 120.51 126.84 3i1n n ALA 46 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3i1n n ALA 46 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3i1n n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 47 N 5.00 -0.87 0.80 0.00 0.00 -1.26 -4.02 105.19 104.86 3i1n n GLY 47 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i1n n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n n ALA 48 N -3.00 2.68 -3.13 4.61 0.00 -1.26 -4.54 120.51 115.87 3i1n n ALA 48 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 3i1n n ALA 48 Cb 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.27 3i1n n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1n s ASN 49 N 0.26 1.48 0.00 0.00 3.04 -1.26 -1.94 114.94 116.52 3i1n s ASN 49 Ca 0.05 -0.24 0.00 0.00 0.04 0.00 0.00 52.86 52.71 3i1n s ASN 49 Cb 0.04 -0.48 0.00 0.00 -1.54 0.00 0.00 41.25 39.27 3i1n s ASN 49 CO 0.01 0.07 0.00 0.52 -3.04 0.00 0.00 177.10 174.66 3i1n n VAL 50 N 3.41 0.00 0.00 -5.21 0.31 -1.15 -2.25 118.33 113.45 3i1n n VAL 50 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3i1n n VAL 50 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3i1n n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1n n GLY 51 N 0.00 0.00 3.22 2.92 0.00 -1.26 -3.62 105.19 106.46 3i1n n GLY 51 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i1n n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1n n GLY 53 N 0.96 -2.29 0.39 0.00 0.00 -0.93 -4.56 105.19 98.77 3i1n n GLY 53 Ca -0.02 -0.80 0.21 0.00 0.00 0.00 0.00 46.02 45.41 3i1n n GLY 53 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i1n h ARG 54 N -1.97 0.00 -2.36 1.61 -0.00 -1.93 0.40 114.38 110.13 3i1n h ARG 54 Ca -0.51 0.00 -0.72 0.00 -0.00 0.00 0.00 59.98 58.75 3i1n h ARG 54 Cb 1.33 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 31.12 3i1n h ARG 54 CO 0.38 0.00 1.58 -0.40 -0.00 0.00 0.00 179.97 181.53 3i1n n ASP 55 N -4.19 7.55 -3.35 0.08 5.75 -1.26 -4.90 116.55 116.23 3i1n n ASP 55 Ca 0.10 -3.36 -0.21 0.00 -0.01 0.00 0.00 54.79 51.31 3i1n n ASP 55 Cb 0.64 -1.26 -0.05 0.00 -1.03 0.00 0.00 41.12 39.42 3i1n n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i1n n HIS 56 N 0.91 -0.68 -3.68 2.11 8.25 0.14 -4.57 115.22 117.70 3i1n n HIS 56 Ca 0.55 0.37 -0.39 0.00 -0.26 0.00 0.00 57.72 57.99 3i1n n HIS 56 Cb 0.30 -1.27 -0.12 0.00 1.12 0.00 0.00 29.99 30.03 3i1n n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i1n s THR 57 N -2.92 4.06 0.03 1.59 2.01 -1.24 -4.31 115.64 114.86 3i1n s THR 57 Ca 0.27 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3i1n s THR 57 Cb -0.16 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 3i1n s THR 57 CO 0.57 -0.27 1.37 -0.76 -0.69 0.00 0.00 174.62 174.84 3i1n s LEU 58 N 1.44 4.33 0.09 4.42 2.01 -1.08 -2.20 118.68 127.70 3i1n s LEU 58 Ca 0.00 2.13 0.02 0.00 0.01 0.00 0.00 54.13 56.30 3i1n s LEU 58 Cb -0.20 -3.57 -0.04 0.00 0.01 0.00 0.00 46.19 42.39 3i1n s LEU 58 CO 0.04 -0.67 -0.08 0.72 1.01 0.00 0.00 176.35 177.37 3i1n s PHE 59 N 1.96 0.91 -0.02 0.29 -0.12 -1.24 -2.80 117.98 116.96 3i1n s PHE 59 Ca 0.63 -0.80 -0.30 0.00 -0.05 0.00 0.00 56.93 56.41 3i1n s PHE 59 Cb -0.32 -0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 41.49 3i1n s PHE 59 CO 0.27 -0.10 1.71 0.00 -0.05 0.00 0.00 175.22 177.06 3i1n s ALA 60 N -3.07 3.62 -0.64 1.99 0.00 -0.61 -2.94 121.76 120.10 3i1n s ALA 60 Ca 0.08 1.04 0.25 0.00 0.00 0.00 0.00 51.96 53.32 3i1n s ALA 60 Cb 0.01 -3.76 0.44 0.00 0.00 0.00 0.00 23.12 19.82 3i1n s ALA 60 CO -0.03 -1.40 1.43 -0.22 0.00 0.00 0.00 175.76 175.54 3i1n h LYS 61 N 9.61 0.00 -0.79 0.00 3.64 -1.61 -3.34 116.57 124.08 3i1n h LYS 61 Ca -0.42 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.14 3i1n h LYS 61 Cb 1.19 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.79 3i1n h LYS 61 CO 0.95 0.00 0.03 0.00 -2.27 0.00 0.00 179.45 178.16 3i1n s ALA 62 N -3.16 -2.84 0.05 5.00 0.00 -0.97 -4.97 121.76 114.87 3i1n s ALA 62 Ca 0.07 1.77 -0.37 0.00 0.00 0.00 0.00 51.96 53.42 3i1n s ALA 62 Cb 0.13 -2.25 -0.19 0.00 0.00 0.00 0.00 23.12 20.81 3i1n s ALA 62 CO 0.69 -1.26 0.98 -0.40 0.00 0.00 0.00 175.76 175.77 3i1n n ASP 63 N 5.33 -0.12 0.00 0.00 5.75 -1.23 -4.91 116.55 121.36 3i1n n ASP 63 Ca -0.06 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.87 3i1n n ASP 63 Cb 0.52 -0.95 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3i1n n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1n n GLY 64 N 1.67 2.12 3.93 6.12 0.00 -1.18 -4.81 105.19 113.04 3i1n n GLY 64 Ca 0.19 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 3i1n n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 65 N 2.13 3.53 0.29 1.61 1.02 0.35 -3.93 119.74 124.74 3i1n s LYS 65 Ca 0.00 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.51 3i1n s LYS 65 Cb 0.00 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 3i1n s LYS 65 CO 0.00 0.28 0.79 0.08 -0.92 0.00 0.00 175.35 175.58 3i1n s VAL 66 N -2.07 4.52 0.00 3.17 1.01 -1.16 -1.09 120.40 124.78 3i1n s VAL 66 Ca 0.40 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3i1n s VAL 66 Cb -0.10 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3i1n s VAL 66 CO 0.31 0.02 0.00 1.17 0.00 0.00 0.00 175.10 176.60 3i1n n LYS 67 N 0.22 0.00 -1.38 2.72 3.00 -0.68 -3.35 118.16 118.69 3i1n n LYS 67 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3i1n n LYS 67 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.55 3i1n n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1n n PHE 68 N -1.07 -1.08 -2.91 5.64 3.72 -1.25 -4.80 117.46 115.71 3i1n n PHE 68 Ca 0.00 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 3i1n n PHE 68 Cb 0.00 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.18 3i1n n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i1n n GLU 69 N 0.41 1.04 -3.42 -1.08 1.02 0.27 -4.93 120.64 113.95 3i1n n GLU 69 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 3i1n n GLU 69 Cb 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.40 3i1n n GLU 69 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1n s VAL 70 N -0.32 -0.50 0.00 2.62 0.11 -1.13 -4.45 120.40 116.73 3i1n s VAL 70 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i1n s VAL 70 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1n s VAL 70 CO 0.00 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 3i1n n LYS 71 N 4.94 3.36 -0.15 1.54 4.01 -0.92 -4.98 118.16 125.96 3i1n n LYS 71 Ca -0.09 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.78 3i1n n LYS 71 Cb 0.53 0.00 0.15 0.00 -0.51 0.00 0.00 35.03 35.20 3i1n n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i1n n GLY 72 N 5.00 1.75 1.76 0.72 0.00 -1.25 -3.20 105.19 109.96 3i1n n GLY 72 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 3i1n n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1n n PRO 73 N 0.84 0.81 -2.07 1.61 -0.04 -1.26 -4.77 135.00 130.12 3i1n n PRO 73 Ca 0.13 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i1n n PRO 73 Cb 0.44 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3i1n n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1n n LYS 74 N 1.85 -4.55 0.00 0.54 4.81 -1.26 -4.72 118.16 114.83 3i1n n LYS 74 Ca 0.06 3.35 0.00 0.00 -0.87 0.00 0.00 58.31 60.85 3i1n n LYS 74 Cb 0.40 -4.00 0.00 0.00 0.02 0.00 0.00 35.03 31.45 3i1n n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1n n ASN 75 N 1.58 0.00 -0.07 3.14 2.85 -1.19 -4.94 115.26 116.63 3i1n n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3i1n n ASN 75 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3i1n n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i1n n ARG 76 N 13.28 -0.20 0.00 1.20 0.63 -1.26 -3.37 116.66 126.94 3i1n n ARG 76 Ca 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3i1n n ARG 76 Cb 0.00 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 32.75 3i1n n ARG 76 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i1n n LYS 77 N -0.58 0.00 -1.08 -0.14 4.01 -1.26 -2.16 118.16 116.94 3i1n n LYS 77 Ca 0.00 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 3i1n n LYS 77 Cb 0.00 -0.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.80 3i1n n LYS 77 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 3i1n n PHE 78 N -1.78 -1.57 -4.12 2.13 3.72 -1.25 -2.85 117.46 111.74 3i1n n PHE 78 Ca 0.00 0.94 -0.35 0.00 -0.05 0.00 0.00 57.45 58.00 3i1n n PHE 78 Cb 0.00 -2.55 -0.13 0.00 -0.94 0.00 0.00 39.48 35.86 3i1n n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i1n s ILE 79 N -0.17 3.60 0.03 4.37 1.01 -0.70 -0.57 121.20 128.78 3i1n s ILE 79 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3i1n s ILE 79 Cb 0.00 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.86 3i1n s ILE 79 CO 0.00 0.44 0.01 -1.54 0.00 0.00 0.00 174.94 173.86 3i1n n SER 80 N 4.32 1.52 -3.70 3.58 3.41 -1.26 -2.58 113.62 118.91 3i1n n SER 80 Ca -0.18 -1.11 -0.25 0.00 -0.26 0.00 0.00 58.87 57.07 3i1n n SER 80 Cb 0.52 0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.30 3i1n n SER 80 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i1n s ILE 81 N -0.56 0.23 0.83 -1.33 1.01 -1.26 -1.69 121.20 118.42 3i1n s ILE 81 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 3i1n s ILE 81 Cb -0.00 -0.68 0.09 0.00 0.01 0.00 0.00 42.46 41.88 3i1n s ILE 81 CO 0.01 -0.09 1.17 -1.61 0.00 0.00 0.00 174.94 174.42 3i1n s GLU 82 N 2.00 1.81 0.24 2.79 2.02 -0.25 -4.19 118.70 123.12 3i1n s GLU 82 Ca 0.02 0.15 -0.04 0.00 0.02 0.00 0.00 54.97 55.12 3i1n s GLU 82 Cb -0.15 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 3i1n s GLU 82 CO -0.07 -1.71 0.48 0.00 0.02 0.00 0.00 175.26 173.98 3i1n s ALA 83 N -3.52 3.71 0.00 5.21 0.00 -1.26 -0.50 121.76 125.40 3i1n s ALA 83 Ca 0.62 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3i1n s ALA 83 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.81 3i1n s ALA 83 CO 0.50 0.37 0.16 -0.85 0.00 0.00 0.00 175.76 175.94