#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n GLY 7 N 0.00 0.79 3.25 -0.02 0.00 -1.26 -5.08 105.19 102.86 3i1p n GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i1p n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1p s SER 8 N -1.46 -0.23 0.00 1.61 0.15 -1.26 -5.14 113.70 107.38 3i1p s SER 8 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3i1p s SER 8 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3i1p s SER 8 CO 0.00 -0.41 0.00 1.07 1.20 0.00 0.00 173.24 175.10 3i1p n THR 9 N 1.48 0.00 -2.00 6.45 5.66 -1.26 -5.12 114.28 119.49 3i1p n THR 9 Ca -0.20 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3i1p n THR 9 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3i1p n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1p n ARG 10 N 0.00 -0.42 -0.01 1.09 1.74 -1.26 -4.93 116.66 112.86 3i1p n ARG 10 Ca 0.00 0.82 0.10 0.00 -0.77 0.00 0.00 57.85 58.00 3i1p n ARG 10 Cb 0.00 -2.87 0.56 0.00 -1.02 0.00 0.00 32.46 29.14 3i1p n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i1p n ASN 11 N -1.25 0.28 0.00 0.55 5.15 -1.26 -4.98 115.26 113.75 3i1p n ASN 11 Ca -0.00 -1.42 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 3i1p n ASN 11 Cb 0.50 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 3i1p n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1p n GLY 12 N 0.87 2.00 0.00 8.20 0.00 -1.26 -4.93 105.19 110.06 3i1p n GLY 12 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i1p n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1p n ARG 13 N 5.30 0.00 0.02 1.61 3.00 -1.26 -5.11 116.66 120.22 3i1p n ARG 13 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 3i1p n ARG 13 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1p n ARG 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3i1p h ASP 14 N 0.00 -0.04 0.00 6.15 3.45 -2.07 -3.46 116.42 120.45 3i1p h ASP 14 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i1p h ASP 14 Cb 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3i1p h ASP 14 CO 0.00 -0.01 0.00 -1.20 -1.57 0.00 0.00 179.24 176.46 3i1p n SER 15 N -2.24 0.00 0.00 6.45 7.64 -1.26 -4.78 113.62 119.43 3i1p n SER 15 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3i1p n SER 15 Cb 0.02 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 3i1p n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1p n GLU 16 N -2.00 0.00 -1.26 1.43 -0.58 -1.26 -4.92 120.64 112.05 3i1p n GLU 16 Ca 0.00 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.90 3i1p n GLU 16 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3i1p n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1p n ALA 17 N 6.08 -3.29 0.00 0.62 0.00 -1.26 -4.93 120.51 117.72 3i1p n ALA 17 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i1p n ALA 17 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3i1p n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1p n LYS 18 N -4.08 0.00 -1.73 0.00 3.00 -1.26 -4.72 118.16 109.37 3i1p n LYS 18 Ca -0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.90 3i1p n LYS 18 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.68 3i1p n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1p n ARG 19 N 1.24 1.23 -1.82 1.64 1.85 -1.26 -3.22 116.66 116.33 3i1p n ARG 19 Ca 0.00 0.47 0.03 0.00 -1.00 0.00 0.00 57.85 57.35 3i1p n ARG 19 Cb 0.00 -2.53 0.03 0.00 -1.05 0.00 0.00 32.46 28.90 3i1p n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i1p n LEU 20 N -1.69 1.05 -2.30 2.89 4.32 -1.26 -4.73 117.00 115.28 3i1p n LEU 20 Ca 0.15 -2.26 0.00 0.00 -0.02 0.00 0.00 56.01 53.89 3i1p n LEU 20 Cb 0.47 0.12 0.04 0.00 -1.62 0.00 0.00 43.42 42.43 3i1p n LEU 20 CO 0.48 0.67 0.12 0.61 -1.22 0.00 0.00 177.39 178.05 3i1p n GLY 21 N 0.20 1.50 3.42 -0.72 0.00 -1.26 -4.65 105.19 103.68 3i1p n GLY 21 Ca 0.05 -0.81 -0.58 0.00 0.00 0.00 0.00 46.02 44.68 3i1p n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1p n VAL 22 N -0.36 0.09 -2.31 1.61 0.24 -1.26 -4.58 118.33 111.76 3i1p n VAL 22 Ca 0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3i1p n VAL 22 Cb 0.90 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1p n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3i1p n LYS 23 N 7.01 0.00 -1.07 7.34 -0.00 -1.26 -4.77 118.16 125.41 3i1p n LYS 23 Ca 0.45 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.40 3i1p n LYS 23 Cb 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.13 3i1p n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1p n ARG 24 N -0.66 0.01 0.00 -1.58 1.74 -1.01 -4.09 116.66 111.07 3i1p n ARG 24 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i1p n ARG 24 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3i1p n ARG 24 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i1p n PHE 25 N -2.44 0.00 -0.33 -1.55 -0.00 -1.26 -4.70 117.46 107.17 3i1p n PHE 25 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.31 3i1p n PHE 25 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.97 3i1p n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i1p n GLY 26 N -0.34 1.71 3.70 7.13 0.00 -1.26 -3.63 105.19 112.49 3i1p n GLY 26 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3i1p n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 27 N 4.24 1.63 1.17 -0.02 0.00 0.47 -4.95 105.19 107.73 3i1p n GLY 27 Ca 0.23 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.85 3i1p n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1p n GLU 28 N 5.19 -0.26 -0.34 1.61 4.07 -1.26 -2.49 120.64 127.16 3i1p n GLU 28 Ca 0.18 -0.66 0.26 0.00 -0.06 0.00 0.00 57.16 56.88 3i1p n GLU 28 Cb 0.36 -0.38 0.56 0.00 -0.06 0.00 0.00 31.44 31.93 3i1p n GLU 28 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3i1p h SER 29 N -0.47 0.36 -1.42 4.31 0.02 -1.92 -3.39 113.55 111.05 3i1p h SER 29 Ca -0.13 0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3i1p h SER 29 Cb 0.36 0.03 -0.21 0.00 0.14 0.00 0.00 62.40 62.72 3i1p h SER 29 CO 0.10 0.03 -0.23 0.54 -1.14 0.00 0.00 176.83 176.13 3i1p s VAL 30 N -5.39 -0.98 -0.21 2.27 0.11 -1.26 -4.41 120.40 110.53 3i1p s VAL 30 Ca -0.08 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3i1p s VAL 30 Cb 0.26 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3i1p s VAL 30 CO 0.80 -0.00 0.01 -0.76 -3.33 0.00 0.00 175.10 171.82 3i1p s LEU 31 N 2.86 3.27 0.00 2.54 1.43 -1.26 -4.94 118.68 122.58 3i1p s LEU 31 Ca 0.11 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3i1p s LEU 31 Cb -0.14 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3i1p s LEU 31 CO -0.20 0.04 0.33 0.00 0.23 0.00 0.00 176.35 176.75 3i1p n ALA 32 N 4.40 1.95 -1.51 4.21 0.00 -1.26 -3.43 120.51 124.87 3i1p n ALA 32 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 3i1p n ALA 32 Cb 0.52 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 3i1p n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 33 N 0.18 -0.28 0.00 0.00 0.00 -1.26 -2.69 105.19 101.15 3i1p n GLY 33 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i1p n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1p n SER 34 N 14.38 0.00 0.00 1.61 2.88 -1.26 -4.44 113.62 126.79 3i1p n SER 34 Ca 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 3i1p n SER 34 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3i1p n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i1p n ILE 35 N 0.00 0.00 -3.00 2.46 5.41 -1.09 -2.84 119.36 120.29 3i1p n ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3i1p n ILE 35 Cb 0.00 -0.84 -0.01 0.00 -0.71 0.00 0.00 39.64 38.08 3i1p n ILE 35 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3i1p n ILE 36 N 0.00 -4.54 -0.51 1.39 5.41 -1.26 -3.96 119.36 115.89 3i1p n ILE 36 Ca 0.00 0.83 -0.29 0.00 1.00 0.00 0.00 62.75 64.28 3i1p n ILE 36 Cb 0.00 -3.85 0.24 0.00 -0.71 0.00 0.00 39.64 35.32 3i1p n ILE 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3i1p n VAL 37 N 1.74 0.00 0.00 1.39 0.24 -1.25 -2.58 118.33 117.87 3i1p n VAL 37 Ca -0.06 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3i1p n VAL 37 Cb 0.27 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 3i1p n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1p n ARG 38 N -4.04 0.00 -1.61 7.34 1.74 -1.26 -4.85 116.66 113.98 3i1p n ARG 38 Ca 0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 3i1p n ARG 38 Cb 0.57 -0.44 -0.10 0.00 -1.02 0.00 0.00 32.46 31.46 3i1p n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i1p s GLN 39 N 0.00 1.29 0.00 5.56 -0.44 -1.06 -4.55 119.66 120.46 3i1p s GLN 39 Ca 0.00 -0.22 0.19 0.00 -2.50 0.00 0.00 55.36 52.83 3i1p s GLN 39 Cb 0.00 -4.94 0.33 0.00 -1.64 0.00 0.00 33.01 26.77 3i1p s GLN 39 CO 0.00 -5.24 1.27 -2.13 0.50 0.00 0.00 175.29 169.69 3i1p n ARG 40 N 8.33 2.21 0.00 1.67 0.63 -1.26 -4.60 116.66 123.64 3i1p n ARG 40 Ca 0.43 -2.04 0.00 0.00 -0.92 0.00 0.00 57.85 55.32 3i1p n ARG 40 Cb 0.46 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.96 3i1p n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1p n GLY 41 N 1.16 0.15 0.06 5.14 0.00 -1.26 -4.87 105.19 105.57 3i1p n GLY 41 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3i1p n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1p n THR 42 N 0.00 0.75 -3.05 2.61 -1.04 -1.26 -4.34 114.28 107.94 3i1p n THR 42 Ca 0.00 0.14 0.02 0.00 -2.04 0.00 0.00 64.05 62.17 3i1p n THR 42 Cb 0.03 -0.94 -0.00 0.00 -1.82 0.00 0.00 70.33 67.60 3i1p n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i1p s LYS 43 N -3.13 0.48 1.23 -2.82 -0.14 -1.26 -5.04 119.74 109.06 3i1p s LYS 43 Ca 0.07 -0.02 -0.19 0.00 -1.36 0.00 0.00 55.97 54.48 3i1p s LYS 43 Cb 0.11 0.09 0.30 0.00 -1.68 0.00 0.00 37.83 36.65 3i1p s LYS 43 CO 0.39 -0.74 1.06 -0.06 -0.76 0.00 0.00 175.35 175.24 3i1p s PHE 44 N 2.19 0.45 0.07 3.18 0.08 -1.26 -4.79 117.98 117.90 3i1p s PHE 44 Ca 0.16 0.61 0.08 0.00 0.12 0.00 0.00 56.93 57.90 3i1p s PHE 44 Cb -0.02 -3.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 3i1p s PHE 44 CO -0.15 -4.05 -0.23 -3.38 -0.10 0.00 0.00 175.22 167.32 3i1p s HIS 45 N -2.80 1.99 0.00 0.36 -3.43 -1.26 -0.62 115.29 109.53 3i1p s HIS 45 Ca 0.70 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 3i1p s HIS 45 Cb -0.12 -1.16 0.00 0.00 -1.43 0.00 0.00 32.58 29.87 3i1p s HIS 45 CO 0.57 0.15 0.00 0.00 -2.00 0.00 0.00 174.74 173.46 3i1p n ALA 46 N 1.58 0.00 -0.47 -1.38 0.00 -1.23 -4.72 120.51 114.28 3i1p n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i1p n ALA 46 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i1p n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 47 N 0.00 0.76 1.65 0.00 0.00 -1.26 -1.81 105.19 104.52 3i1p n GLY 47 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 3i1p n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n ALA 48 N 1.95 4.31 -2.67 4.61 0.00 -1.26 -3.89 120.51 123.56 3i1p n ALA 48 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 53.44 52.21 3i1p n ALA 48 Cb 0.00 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.33 3i1p n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1p n ASN 49 N 0.27 -1.49 -4.66 0.00 6.94 -1.07 -3.00 115.26 112.24 3i1p n ASN 49 Ca 0.23 -2.19 -0.37 0.00 -0.02 0.00 0.00 54.58 52.24 3i1p n ASN 49 Cb 0.74 0.76 0.07 0.00 -2.36 0.00 0.00 39.78 38.99 3i1p n ASN 49 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3i1p n VAL 50 N -1.11 3.99 0.00 3.53 0.24 -0.75 -3.10 118.33 121.12 3i1p n VAL 50 Ca -0.13 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 3i1p n VAL 50 Cb 0.83 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 3i1p n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1p n GLY 51 N 1.07 1.58 3.18 7.63 0.00 -0.91 -3.26 105.19 114.48 3i1p n GLY 51 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3i1p n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n GLY 53 N -1.65 -1.81 0.92 0.00 0.00 -1.25 -4.78 105.19 96.61 3i1p n GLY 53 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3i1p n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p n ARG 54 N 0.00 0.03 -0.22 1.61 1.74 -1.26 -4.72 116.66 113.85 3i1p n ARG 54 Ca 0.00 0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 3i1p n ARG 54 Cb 0.00 -0.37 0.01 0.00 -1.02 0.00 0.00 32.46 31.09 3i1p n ARG 54 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i1p n ASP 55 N -3.12 3.68 -0.64 0.55 5.75 -1.26 -4.78 116.55 116.73 3i1p n ASP 55 Ca -0.01 -2.23 -0.08 0.00 -0.01 0.00 0.00 54.79 52.46 3i1p n ASP 55 Cb 0.03 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 39.41 3i1p n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i1p n HIS 56 N 0.60 0.00 -1.56 2.11 8.25 -1.26 -3.88 115.22 119.48 3i1p n HIS 56 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3i1p n HIS 56 Cb 0.57 -2.48 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 3i1p n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i1p n THR 57 N -2.22 0.00 -1.58 1.59 -1.04 -1.26 -4.76 114.28 105.01 3i1p n THR 57 Ca -0.08 -0.45 -0.48 0.00 -2.04 0.00 0.00 64.05 60.99 3i1p n THR 57 Cb 0.54 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.02 3i1p n THR 57 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i1p n LEU 58 N 18.90 1.54 -4.01 -4.42 -0.00 -1.13 -3.78 117.00 124.10 3i1p n LEU 58 Ca 0.47 1.15 -0.25 0.00 -0.00 0.00 0.00 56.01 57.37 3i1p n LEU 58 Cb 0.43 -1.23 -0.17 0.00 -0.00 0.00 0.00 43.42 42.46 3i1p n LEU 58 CO 0.55 -1.35 -0.47 0.12 -0.00 0.00 0.00 177.39 176.24 3i1p s PHE 59 N -0.39 1.52 -0.68 1.96 5.36 -1.26 -4.36 117.98 120.13 3i1p s PHE 59 Ca 0.70 -0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 55.82 3i1p s PHE 59 Cb -0.82 -1.14 0.06 0.00 -0.34 0.00 0.00 43.02 40.78 3i1p s PHE 59 CO 0.54 -0.34 1.05 0.00 -1.46 0.00 0.00 175.22 175.01 3i1p s ALA 60 N 0.86 3.01 0.09 11.12 0.00 -1.22 -2.13 121.76 133.50 3i1p s ALA 60 Ca -0.11 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 3i1p s ALA 60 Cb -0.15 -3.97 -0.14 0.00 0.00 0.00 0.00 23.12 18.86 3i1p s ALA 60 CO 0.01 -2.92 1.67 -0.22 0.00 0.00 0.00 175.76 174.31 3i1p h LYS 61 N 9.70 -0.40 0.00 0.00 3.64 -1.52 -3.38 116.57 124.61 3i1p h LYS 61 Ca -0.29 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3i1p h LYS 61 Cb 1.06 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3i1p h LYS 61 CO 1.21 -0.27 -0.01 0.00 -2.27 0.00 0.00 179.45 178.11 3i1p n ALA 62 N -2.38 0.15 -2.53 5.00 0.00 -1.16 -4.83 120.51 114.77 3i1p n ALA 62 Ca -0.09 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.83 3i1p n ALA 62 Cb 0.21 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 3i1p n ALA 62 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i1p s ASP 63 N -1.46 3.80 0.00 0.00 -4.77 -1.26 -4.63 116.67 108.35 3i1p s ASP 63 Ca 0.07 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.21 3i1p s ASP 63 Cb -0.01 -0.38 0.00 0.00 -1.09 0.00 0.00 42.92 41.44 3i1p s ASP 63 CO 0.05 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.37 3i1p n GLY 64 N -0.79 0.77 3.77 2.12 0.00 -1.04 -3.95 105.19 106.08 3i1p n GLY 64 Ca -0.05 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 3i1p n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 65 N -2.00 2.82 -0.25 1.61 3.01 -1.21 -0.40 119.74 123.32 3i1p s LYS 65 Ca 0.00 -0.87 -0.29 0.00 -1.01 0.00 0.00 55.97 53.80 3i1p s LYS 65 Cb 0.00 -2.62 0.01 0.00 -1.01 0.00 0.00 37.83 34.21 3i1p s LYS 65 CO 0.00 0.50 1.05 0.08 0.51 0.00 0.00 175.35 177.49 3i1p s VAL 66 N -1.66 4.64 0.19 3.17 1.01 -1.26 -0.42 120.40 126.06 3i1p s VAL 66 Ca 0.30 1.97 -0.00 0.00 0.00 0.00 0.00 61.98 64.25 3i1p s VAL 66 Cb -0.10 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 3i1p s VAL 66 CO 0.22 -0.23 1.46 0.50 0.00 0.00 0.00 175.10 177.05 3i1p h LYS 67 N 7.58 0.36 -6.54 2.72 3.64 -0.71 -2.67 116.57 120.95 3i1p h LYS 67 Ca -0.19 -0.29 -0.51 0.00 -1.27 0.00 0.00 60.65 58.39 3i1p h LYS 67 Cb 1.06 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.86 3i1p h LYS 67 CO 0.99 0.93 -0.88 0.34 -2.27 0.00 0.00 179.45 178.56 3i1p n PHE 68 N -3.83 -1.68 -2.26 1.91 -0.00 -1.21 -4.79 117.46 105.60 3i1p n PHE 68 Ca -0.04 0.76 -0.35 0.00 -0.00 0.00 0.00 57.45 57.82 3i1p n PHE 68 Cb 0.69 -3.61 0.00 0.00 -0.00 0.00 0.00 39.48 36.56 3i1p n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3i1p s GLU 69 N -6.63 3.35 0.00 -4.13 2.12 -1.26 -4.87 118.70 107.28 3i1p s GLU 69 Ca 0.14 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.09 3i1p s GLU 69 Cb -0.07 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.31 3i1p s GLU 69 CO 0.89 -0.85 0.50 1.55 -0.54 0.00 0.00 175.26 176.82 3i1p n VAL 70 N -1.29 0.18 0.00 3.70 3.14 -1.23 -3.90 118.33 118.92 3i1p n VAL 70 Ca 0.12 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 3i1p n VAL 70 Cb 0.51 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 3i1p n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i1p n LYS 71 N -0.09 0.14 0.00 1.45 5.02 -1.25 -4.33 118.16 119.11 3i1p n LYS 71 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1p n LYS 71 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 3i1p n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 72 N 4.12 -1.01 3.77 0.72 0.00 -1.26 -4.03 105.19 107.49 3i1p n GLY 72 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 3i1p n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1p s PRO 73 N -2.08 3.54 -0.95 1.61 0.02 -1.26 -4.01 135.00 131.87 3i1p s PRO 73 Ca 0.00 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 3i1p s PRO 73 Cb 0.00 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.25 3i1p s PRO 73 CO 0.00 -0.75 0.60 1.17 -0.33 0.00 0.00 177.00 177.69 3i1p n LYS 74 N -0.76 -0.89 0.00 5.54 4.81 -1.26 -4.06 118.16 121.54 3i1p n LYS 74 Ca 0.09 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3i1p n LYS 74 Cb 0.48 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.38 3i1p n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1p n ASN 75 N -2.22 0.00 -0.97 3.14 2.85 -1.26 -4.98 115.26 111.83 3i1p n ASN 75 Ca -0.21 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.31 3i1p n ASN 75 Cb 0.60 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.60 3i1p n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i1p n ARG 76 N 0.00 -0.75 0.00 1.20 3.00 -1.26 -4.19 116.66 114.66 3i1p n ARG 76 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 3i1p n ARG 76 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.55 3i1p n ARG 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i1p n LYS 77 N -2.31 0.00 0.00 -0.14 5.02 -1.26 -4.64 118.16 114.84 3i1p n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1p n LYS 77 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 3i1p n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i1p n PHE 78 N -0.03 0.00 -3.70 2.13 3.72 -1.25 -3.57 117.46 114.75 3i1p n PHE 78 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3i1p n PHE 78 Cb 0.00 -0.11 -0.15 0.00 -0.94 0.00 0.00 39.48 38.28 3i1p n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i1p s ILE 79 N -3.05 -0.17 0.17 4.37 1.01 0.21 -4.08 121.20 119.66 3i1p s ILE 79 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3i1p s ILE 79 Cb 0.00 -0.28 -0.00 0.00 0.01 0.00 0.00 42.46 42.19 3i1p s ILE 79 CO 0.00 0.11 0.04 -1.20 0.00 0.00 0.00 174.94 173.89 3i1p n SER 80 N 4.81 1.59 -4.05 3.58 7.64 -1.26 -3.56 113.62 122.37 3i1p n SER 80 Ca -0.15 -1.84 -0.10 0.00 1.01 0.00 0.00 58.87 57.79 3i1p n SER 80 Cb 0.51 0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.93 3i1p n SER 80 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3i1p s ILE 81 N -1.97 0.05 -0.26 0.44 -5.25 -1.26 -0.03 121.20 112.91 3i1p s ILE 81 Ca 0.05 -1.62 -0.01 0.00 -0.99 0.00 0.00 60.65 58.08 3i1p s ILE 81 Cb 0.00 -2.09 0.15 0.00 2.95 0.00 0.00 42.46 43.47 3i1p s ILE 81 CO 0.04 -0.21 0.42 -0.70 -1.79 0.00 0.00 174.94 172.70 3i1p s GLU 82 N -4.03 0.40 -0.91 0.37 -6.30 0.44 -4.23 118.70 104.43 3i1p s GLU 82 Ca 0.24 0.49 -0.17 0.00 -2.50 0.00 0.00 54.97 53.03 3i1p s GLU 82 Cb 0.04 -0.30 -0.26 0.00 0.00 0.00 0.00 34.13 33.62 3i1p s GLU 82 CO 0.05 -0.75 2.29 0.00 0.02 0.00 0.00 175.26 176.87 3i1p n ALA 83 N 5.37 0.80 -0.86 6.30 0.00 -1.25 -3.36 120.51 127.51 3i1p n ALA 83 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3i1p n ALA 83 Cb 0.50 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3i1p n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89