#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n GLY 7 N 0.00 0.85 3.38 -0.02 0.00 -1.26 -5.09 105.19 103.05 3i22 n GLY 7 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3i22 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i22 s SER 8 N -1.41 -0.42 0.00 1.61 0.15 -1.26 -5.15 113.70 107.23 3i22 s SER 8 Ca 0.00 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.03 3i22 s SER 8 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 3i22 s SER 8 CO 0.00 -0.54 0.00 1.07 1.20 0.00 0.00 173.24 174.97 3i22 n THR 9 N 1.04 0.00 -2.54 6.45 5.66 -1.26 -5.12 114.28 118.51 3i22 n THR 9 Ca -0.20 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.75 3i22 n THR 9 Cb 0.57 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.35 3i22 n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i22 n ARG 10 N 0.00 -1.60 -0.00 1.09 1.74 -1.26 -4.92 116.66 111.71 3i22 n ARG 10 Ca 0.00 1.60 0.14 0.00 -0.77 0.00 0.00 57.85 58.83 3i22 n ARG 10 Cb 0.00 -4.62 0.64 0.00 -1.02 0.00 0.00 32.46 27.46 3i22 n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3i22 n ASN 11 N -0.62 1.09 0.00 0.55 5.15 -1.26 -5.01 115.26 115.16 3i22 n ASN 11 Ca 0.07 -1.37 0.00 0.00 -0.60 0.00 0.00 54.58 52.68 3i22 n ASN 11 Cb 0.38 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 3i22 n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i22 n GLY 12 N 1.12 1.72 0.00 8.20 0.00 -1.26 -4.94 105.19 110.03 3i22 n GLY 12 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3i22 n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i22 n ARG 13 N 2.35 0.00 0.00 1.61 3.00 -1.26 -5.11 116.66 117.26 3i22 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i22 n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i22 n ARG 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i22 n ASP 14 N -0.25 0.00 0.00 6.15 10.43 -1.26 -4.89 116.55 126.72 3i22 n ASP 14 Ca 0.00 0.60 0.00 0.00 2.57 0.00 0.00 54.79 57.96 3i22 n ASP 14 Cb 0.00 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.55 3i22 n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3i22 n SER 15 N -1.73 0.00 0.00 -2.24 7.64 -1.26 -4.81 113.62 111.21 3i22 n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i22 n SER 15 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 3i22 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i22 n GLU 16 N -2.00 0.00 -0.77 1.43 -0.58 -1.26 -4.91 120.64 112.55 3i22 n GLU 16 Ca 0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3i22 n GLU 16 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3i22 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i22 n ALA 17 N 6.85 -2.00 0.00 0.62 0.00 -1.26 -4.92 120.51 119.80 3i22 n ALA 17 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3i22 n ALA 17 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3i22 n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i22 n LYS 18 N -2.97 0.00 -1.51 0.00 3.00 -1.26 -4.70 118.16 110.72 3i22 n LYS 18 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 3i22 n LYS 18 Cb 0.35 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.46 3i22 n LYS 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i22 n ARG 19 N 2.09 0.73 -1.58 1.64 1.85 -1.26 -3.56 116.66 116.57 3i22 n ARG 19 Ca 0.00 0.30 0.03 0.00 -1.00 0.00 0.00 57.85 57.18 3i22 n ARG 19 Cb 0.00 -2.25 0.02 0.00 -1.05 0.00 0.00 32.46 29.17 3i22 n ARG 19 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3i22 n LEU 20 N -1.41 0.84 -2.27 2.89 4.32 -1.26 -4.76 117.00 115.34 3i22 n LEU 20 Ca 0.14 -2.10 0.01 0.00 -0.02 0.00 0.00 56.01 54.04 3i22 n LEU 20 Cb 0.49 0.04 0.04 0.00 -1.62 0.00 0.00 43.42 42.37 3i22 n LEU 20 CO 0.48 0.65 0.07 0.61 -1.22 0.00 0.00 177.39 177.98 3i22 n GLY 21 N 0.34 1.47 3.36 -0.72 0.00 -1.26 -4.70 105.19 103.68 3i22 n GLY 21 Ca 0.03 -0.89 -0.57 0.00 0.00 0.00 0.00 46.02 44.59 3i22 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i22 n VAL 22 N -0.24 0.08 -2.52 1.61 0.24 -1.26 -4.58 118.33 111.67 3i22 n VAL 22 Ca 0.04 -0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.26 3i22 n VAL 22 Cb 0.93 -0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 3i22 n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3i22 n LYS 23 N 7.55 -0.38 -0.99 7.34 -0.00 -1.26 -4.78 118.16 125.64 3i22 n LYS 23 Ca 0.48 0.25 -0.36 0.00 -0.00 0.00 0.00 58.31 58.68 3i22 n LYS 23 Cb 0.07 -0.47 0.05 0.00 -0.00 0.00 0.00 35.03 34.67 3i22 n LYS 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i22 n ARG 24 N -1.53 -0.02 0.00 -1.58 1.74 -0.90 -4.18 116.66 110.19 3i22 n ARG 24 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i22 n ARG 24 Cb 0.09 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3i22 n ARG 24 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i22 n PHE 25 N -2.59 0.00 -0.60 -1.55 -0.00 -1.26 -4.68 117.46 106.78 3i22 n PHE 25 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.12 3i22 n PHE 25 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.98 3i22 n PHE 25 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i22 n GLY 26 N -0.36 1.67 3.69 7.13 0.00 -1.26 -3.66 105.19 112.39 3i22 n GLY 26 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3i22 n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 27 N 5.55 1.41 0.13 -0.02 0.00 0.60 -4.95 107.32 110.03 3i22 s GLY 27 Ca 0.47 1.37 -0.02 0.00 0.00 0.00 0.00 44.72 46.54 3i22 s GLY 27 CO 0.16 3.11 0.16 -2.21 0.00 0.00 0.00 173.10 174.33 3i22 n GLU 28 N 5.88 -0.29 -0.30 2.90 4.07 -1.26 -2.50 120.64 129.14 3i22 n GLU 28 Ca 0.17 -0.26 0.22 0.00 -0.06 0.00 0.00 57.16 57.24 3i22 n GLU 28 Cb 0.39 -0.18 0.52 0.00 -0.06 0.00 0.00 31.44 32.12 3i22 n GLU 28 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3i22 h SER 29 N -0.33 0.41 -1.38 4.31 0.02 -1.92 -3.39 113.55 111.26 3i22 h SER 29 Ca -0.05 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3i22 h SER 29 Cb 0.15 -0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.47 3i22 h SER 29 CO 0.04 0.11 -0.27 0.54 -1.14 0.00 0.00 176.83 176.11 3i22 s VAL 30 N -5.44 -0.94 -0.21 2.27 0.11 -1.26 -4.44 120.40 110.49 3i22 s VAL 30 Ca -0.08 -0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 3i22 s VAL 30 Cb 0.24 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3i22 s VAL 30 CO 0.79 -0.01 0.03 -0.76 -3.33 0.00 0.00 175.10 171.82 3i22 s LEU 31 N 2.82 3.39 0.00 2.54 1.43 -1.26 -4.94 118.68 122.66 3i22 s LEU 31 Ca 0.13 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3i22 s LEU 31 Cb -0.14 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3i22 s LEU 31 CO -0.20 0.06 0.30 0.00 0.23 0.00 0.00 176.35 176.74 3i22 n ALA 32 N 4.31 1.79 -1.45 4.21 0.00 -1.26 -3.36 120.51 124.76 3i22 n ALA 32 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 3i22 n ALA 32 Cb 0.52 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 3i22 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 33 N 0.20 -0.29 0.00 0.00 0.00 -1.26 -2.67 105.19 101.17 3i22 n GLY 33 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i22 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i22 n SER 34 N 12.68 0.00 0.00 1.61 2.88 -1.26 -4.53 113.62 125.00 3i22 n SER 34 Ca 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3i22 n SER 34 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 3i22 n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i22 n ILE 35 N 0.00 0.00 -2.94 2.46 5.41 -1.09 -2.69 119.36 120.51 3i22 n ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 3i22 n ILE 35 Cb 0.00 -0.71 -0.01 0.00 -0.71 0.00 0.00 39.64 38.21 3i22 n ILE 35 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3i22 n ILE 36 N 0.00 -6.43 -0.51 1.39 5.41 -1.26 -4.03 119.36 113.93 3i22 n ILE 36 Ca 0.00 1.17 -0.29 0.00 1.00 0.00 0.00 62.75 64.62 3i22 n ILE 36 Cb 0.00 -4.58 0.23 0.00 -0.71 0.00 0.00 39.64 34.58 3i22 n ILE 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3i22 n VAL 37 N 1.48 0.00 0.00 1.39 0.24 -1.26 -2.45 118.33 117.73 3i22 n VAL 37 Ca -0.08 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3i22 n VAL 37 Cb 0.29 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 3i22 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i22 n ARG 38 N -3.87 0.00 -1.55 7.34 1.74 -1.26 -4.86 116.66 114.20 3i22 n ARG 38 Ca 0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.98 3i22 n ARG 38 Cb 0.57 -0.58 -0.10 0.00 -1.02 0.00 0.00 32.46 31.32 3i22 n ARG 38 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i22 n GLN 39 N 0.00 0.31 -0.06 5.56 0.00 -1.03 -4.56 117.38 117.60 3i22 n GLN 39 Ca 0.00 -1.21 0.07 0.00 -0.00 0.00 0.00 57.00 55.87 3i22 n GLN 39 Cb 0.00 -3.67 0.10 0.00 0.00 0.00 0.00 30.24 26.67 3i22 n GLN 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3i22 n ARG 40 N 8.29 1.54 0.00 3.69 0.63 -1.26 -4.65 116.66 124.90 3i22 n ARG 40 Ca 0.44 -1.62 0.00 0.00 -0.92 0.00 0.00 57.85 55.75 3i22 n ARG 40 Cb 0.44 -1.31 0.00 0.00 0.45 0.00 0.00 32.46 32.05 3i22 n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i22 n GLY 41 N 0.84 0.57 0.04 5.14 0.00 -1.26 -4.87 105.19 105.65 3i22 n GLY 41 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3i22 n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i22 n THR 42 N 0.00 0.95 -2.85 2.61 -1.04 -1.26 -4.26 114.28 108.43 3i22 n THR 42 Ca 0.00 0.24 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 3i22 n THR 42 Cb 0.07 -1.04 0.01 0.00 -1.82 0.00 0.00 70.33 67.54 3i22 n THR 42 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i22 s LYS 43 N -3.09 0.40 1.14 -2.82 -0.14 -1.26 -5.04 119.74 108.93 3i22 s LYS 43 Ca 0.06 -0.21 -0.19 0.00 -1.36 0.00 0.00 55.97 54.28 3i22 s LYS 43 Cb 0.09 0.03 0.29 0.00 -1.68 0.00 0.00 37.83 36.57 3i22 s LYS 43 CO 0.30 -0.55 0.76 1.19 -0.76 0.00 0.00 175.35 176.29 3i22 n PHE 44 N 3.62 -3.55 -4.42 3.18 3.72 -1.26 -4.77 117.46 113.98 3i22 n PHE 44 Ca 0.09 -0.71 -0.22 0.00 -0.05 0.00 0.00 57.45 56.56 3i22 n PHE 44 Cb 0.62 -0.99 -0.13 0.00 -0.94 0.00 0.00 39.48 38.04 3i22 n PHE 44 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 3i22 s HIS 45 N -2.11 1.42 0.00 1.38 -3.43 -1.26 -1.44 115.29 109.85 3i22 s HIS 45 Ca 0.55 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 3i22 s HIS 45 Cb -0.08 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 30.23 3i22 s HIS 45 CO 0.45 0.06 0.00 0.00 -2.00 0.00 0.00 174.74 173.25 3i22 n ALA 46 N 1.80 0.00 -0.54 -1.38 0.00 -1.25 -4.75 120.51 114.39 3i22 n ALA 46 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i22 n ALA 46 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i22 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 47 N 0.00 0.80 1.96 0.00 0.00 -1.26 -2.16 105.19 104.53 3i22 n GLY 47 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 3i22 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 48 N 2.21 5.28 -2.64 4.61 0.00 -1.26 -4.00 120.51 124.71 3i22 n ALA 48 Ca 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 53.44 51.44 3i22 n ALA 48 Cb 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.10 3i22 n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i22 n ASN 49 N 0.08 -1.24 -4.69 0.00 6.94 -1.15 -2.99 115.26 112.20 3i22 n ASN 49 Ca 0.36 -1.97 -0.36 0.00 -0.02 0.00 0.00 54.58 52.59 3i22 n ASN 49 Cb 0.63 0.67 0.08 0.00 -2.36 0.00 0.00 39.78 38.79 3i22 n ASN 49 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3i22 n VAL 50 N -0.92 4.19 0.00 3.53 0.24 -0.92 -3.10 118.33 121.35 3i22 n VAL 50 Ca -0.12 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3i22 n VAL 50 Cb 0.77 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 3i22 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i22 n GLY 51 N 0.95 1.09 3.46 7.63 0.00 -1.00 -3.42 105.19 113.90 3i22 n GLY 51 Ca 0.15 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3i22 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n GLY 53 N -1.71 -2.03 0.91 0.00 0.00 -1.24 -4.78 105.19 96.34 3i22 n GLY 53 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3i22 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 n ARG 54 N 0.00 0.04 -0.12 1.61 1.74 -1.26 -4.71 116.66 113.96 3i22 n ARG 54 Ca 0.00 0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3i22 n ARG 54 Cb 0.00 -0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 3i22 n ARG 54 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3i22 n ASP 55 N -3.11 3.55 -0.84 0.55 5.75 -1.26 -4.76 116.55 116.44 3i22 n ASP 55 Ca -0.01 -2.10 -0.10 0.00 -0.01 0.00 0.00 54.79 52.57 3i22 n ASP 55 Cb 0.03 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.43 3i22 n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i22 n HIS 56 N 0.73 -0.05 -1.56 2.11 8.25 -1.26 -3.98 115.22 119.47 3i22 n HIS 56 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3i22 n HIS 56 Cb 0.50 -2.62 -0.08 0.00 1.12 0.00 0.00 29.99 28.92 3i22 n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i22 n THR 57 N -2.05 -0.00 -1.60 1.59 -1.04 -1.26 -4.77 114.28 105.15 3i22 n THR 57 Ca -0.10 -0.50 -0.50 0.00 -2.04 0.00 0.00 64.05 60.90 3i22 n THR 57 Cb 0.55 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 3i22 n THR 57 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i22 n LEU 58 N 18.10 1.82 -4.08 -4.42 -0.00 -1.09 -3.69 117.00 123.64 3i22 n LEU 58 Ca 0.48 1.13 -0.26 0.00 -0.00 0.00 0.00 56.01 57.35 3i22 n LEU 58 Cb 0.42 -1.24 -0.17 0.00 -0.00 0.00 0.00 43.42 42.44 3i22 n LEU 58 CO 0.57 -1.04 -0.49 0.12 -0.00 0.00 0.00 177.39 176.55 3i22 s PHE 59 N 0.23 1.73 -0.64 1.96 5.36 -1.26 -4.30 117.98 121.07 3i22 s PHE 59 Ca 0.79 -0.65 -0.23 0.00 -0.96 0.00 0.00 56.93 55.87 3i22 s PHE 59 Cb -0.87 -1.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3i22 s PHE 59 CO 0.48 -0.30 0.99 0.00 -1.46 0.00 0.00 175.22 174.93 3i22 s ALA 60 N 0.55 3.09 0.07 11.12 0.00 -1.21 -2.39 121.76 132.98 3i22 s ALA 60 Ca -0.15 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 49.89 3i22 s ALA 60 Cb -0.16 -3.86 -0.18 0.00 0.00 0.00 0.00 23.12 18.92 3i22 s ALA 60 CO 0.05 -2.71 1.61 -0.22 0.00 0.00 0.00 175.76 174.48 3i22 h LYS 61 N 9.54 -0.60 0.00 0.00 3.64 -1.56 -3.38 116.57 124.21 3i22 h LYS 61 Ca -0.28 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 3i22 h LYS 61 Cb 1.07 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.03 3i22 h LYS 61 CO 1.16 -0.38 -0.03 0.00 -2.27 0.00 0.00 179.45 177.94 3i22 n ALA 62 N -2.38 0.35 -2.53 5.00 0.00 -1.16 -4.83 120.51 114.97 3i22 n ALA 62 Ca -0.11 -0.63 -0.24 0.00 0.00 0.00 0.00 53.44 52.46 3i22 n ALA 62 Cb 0.27 0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 3i22 n ALA 62 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i22 s ASP 63 N -2.06 3.90 0.00 0.00 -4.77 -1.26 -4.66 116.67 107.82 3i22 s ASP 63 Ca 0.17 -0.95 0.00 0.00 -3.30 0.00 0.00 52.55 48.47 3i22 s ASP 63 Cb -0.01 -0.46 0.00 0.00 -1.09 0.00 0.00 42.92 41.35 3i22 s ASP 63 CO 0.11 -0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.57 3i22 n GLY 64 N -0.74 0.60 3.85 2.12 0.00 -1.04 -4.02 105.19 105.96 3i22 n GLY 64 Ca -0.05 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 3i22 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 65 N -2.00 3.12 -0.14 1.61 3.01 -1.21 -0.29 119.74 123.84 3i22 s LYS 65 Ca 0.00 -0.68 -0.29 0.00 -1.01 0.00 0.00 55.97 53.99 3i22 s LYS 65 Cb 0.00 -2.81 -0.01 0.00 -1.01 0.00 0.00 37.83 34.00 3i22 s LYS 65 CO 0.00 0.54 1.06 0.08 0.51 0.00 0.00 175.35 177.54 3i22 s VAL 66 N -1.60 4.65 0.12 3.17 1.01 -1.26 -0.38 120.40 126.11 3i22 s VAL 66 Ca 0.32 1.95 -0.02 0.00 0.00 0.00 0.00 61.98 64.23 3i22 s VAL 66 Cb -0.11 -4.25 -0.21 0.00 0.00 0.00 0.00 36.38 31.80 3i22 s VAL 66 CO 0.25 -0.06 1.27 0.50 0.00 0.00 0.00 175.10 177.06 3i22 h LYS 67 N 7.32 0.29 -6.52 2.72 3.64 -0.13 -2.40 116.57 121.50 3i22 h LYS 67 Ca -0.28 -0.38 -0.51 0.00 -1.27 0.00 0.00 60.65 58.22 3i22 h LYS 67 Cb 1.12 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 3i22 h LYS 67 CO 0.90 1.10 -0.85 0.34 -2.27 0.00 0.00 179.45 178.68 3i22 n PHE 68 N -3.64 -1.78 -1.87 1.91 -0.00 -1.20 -4.78 117.46 106.10 3i22 n PHE 68 Ca -0.06 0.79 -0.35 0.00 -0.00 0.00 0.00 57.45 57.83 3i22 n PHE 68 Cb 0.90 -3.59 0.04 0.00 -0.00 0.00 0.00 39.48 36.83 3i22 n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3i22 s GLU 69 N -6.64 2.82 0.00 -4.13 2.12 -1.26 -4.86 118.70 106.75 3i22 s GLU 69 Ca 0.31 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.32 3i22 s GLU 69 Cb -0.16 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.30 3i22 s GLU 69 CO 0.89 -1.29 0.41 1.55 -0.54 0.00 0.00 175.26 176.28 3i22 n VAL 70 N -1.97 0.08 0.00 3.70 3.14 -1.24 -3.98 118.33 118.06 3i22 n VAL 70 Ca 0.12 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3i22 n VAL 70 Cb 0.50 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.49 3i22 n VAL 70 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i22 n LYS 71 N -0.04 0.90 0.00 1.45 5.02 -1.25 -4.30 118.16 119.94 3i22 n LYS 71 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i22 n LYS 71 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 3i22 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 72 N 4.01 -0.52 3.77 0.72 0.00 -1.26 -4.02 105.19 107.89 3i22 n GLY 72 Ca 0.00 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 3i22 n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i22 s PRO 73 N -2.07 3.43 -0.95 1.61 0.02 -1.26 -4.02 135.00 131.76 3i22 s PRO 73 Ca 0.00 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.64 3i22 s PRO 73 Cb 0.00 -2.19 0.02 0.00 0.02 0.00 0.00 34.50 32.35 3i22 s PRO 73 CO 0.00 -0.83 0.59 1.17 -0.33 0.00 0.00 177.00 177.61 3i22 n LYS 74 N -0.98 -0.84 0.00 5.54 4.81 -1.26 -4.04 118.16 121.40 3i22 n LYS 74 Ca 0.10 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 3i22 n LYS 74 Cb 0.49 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3i22 n LYS 74 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i22 n ASN 75 N -2.16 0.00 -0.94 3.14 2.85 -1.26 -4.98 115.26 111.91 3i22 n ASN 75 Ca -0.20 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 3i22 n ASN 75 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 3i22 n ASN 75 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i22 n ARG 76 N 0.00 0.00 0.00 1.20 3.00 -1.26 -4.20 116.66 115.41 3i22 n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i22 n ARG 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i22 n ARG 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i22 n LYS 77 N -1.88 0.00 0.00 -0.14 5.02 -1.26 -4.69 118.16 115.21 3i22 n LYS 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i22 n LYS 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i22 n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3i22 n PHE 78 N -0.10 0.00 -3.70 2.13 3.72 -1.26 -3.60 117.46 114.66 3i22 n PHE 78 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 3i22 n PHE 78 Cb 0.00 -0.09 -0.15 0.00 -0.94 0.00 0.00 39.48 38.30 3i22 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i22 s ILE 79 N -3.07 -0.20 0.26 4.37 1.01 -0.52 -4.12 121.20 118.93 3i22 s ILE 79 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3i22 s ILE 79 Cb 0.00 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 3i22 s ILE 79 CO 0.00 0.12 0.05 -1.20 0.00 0.00 0.00 174.94 173.90 3i22 n SER 80 N 4.91 1.84 -4.12 3.58 7.64 -1.26 -3.75 113.62 122.46 3i22 n SER 80 Ca -0.13 -2.24 -0.11 0.00 1.01 0.00 0.00 58.87 57.40 3i22 n SER 80 Cb 0.51 0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 64.03 3i22 n SER 80 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3i22 s ILE 81 N -2.25 0.03 -0.27 0.44 -5.25 -1.26 0.58 121.20 113.23 3i22 s ILE 81 Ca 0.07 -1.79 -0.01 0.00 -0.99 0.00 0.00 60.65 57.93 3i22 s ILE 81 Cb 0.00 -2.25 0.16 0.00 2.95 0.00 0.00 42.46 43.32 3i22 s ILE 81 CO 0.05 -0.15 0.45 -0.70 -1.79 0.00 0.00 174.94 172.80 3i22 s GLU 82 N -4.08 0.43 -0.86 0.37 -6.30 0.49 -4.28 118.70 104.47 3i22 s GLU 82 Ca 0.29 0.58 -0.22 0.00 -2.50 0.00 0.00 54.97 53.12 3i22 s GLU 82 Cb 0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 34.13 33.81 3i22 s GLU 82 CO 0.07 -0.73 2.42 0.00 0.02 0.00 0.00 175.26 177.05 3i22 n ALA 83 N 5.38 0.65 -0.72 6.30 0.00 -1.26 -3.33 120.51 127.53 3i22 n ALA 83 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3i22 n ALA 83 Cb 0.50 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3i22 n ALA 83 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89