#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 s ALA 2 N 0.00 3.33 0.00 0.00 0.00 -1.26 -5.05 121.76 118.79 3i22 s ALA 2 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3i22 s ALA 2 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3i22 s ALA 2 CO 0.00 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.12 3i22 n LYS 3 N 0.79 0.00 -0.43 0.00 5.02 -1.26 -4.93 118.16 117.35 3i22 n LYS 3 Ca 0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3i22 n LYS 3 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 3i22 n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i22 n ILE 4 N 0.00 0.00 -0.05 -0.18 5.41 -1.26 -4.89 119.36 118.38 3i22 n ILE 4 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i22 n ILE 4 Cb 0.00 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 3i22 n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i22 n ARG 5 N 2.55 2.17 0.00 0.38 5.12 -1.26 -5.07 116.66 120.56 3i22 n ARG 5 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3i22 n ARG 5 Cb -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 3i22 n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i22 n ARG 6 N 0.00 0.00 -1.69 5.56 0.63 -1.26 -4.82 116.66 115.08 3i22 n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3i22 n ARG 6 Cb 0.00 -0.21 -0.03 0.00 0.45 0.00 0.00 32.46 32.67 3i22 n ARG 6 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i22 s ASP 7 N -1.17 6.39 0.00 6.15 -0.00 -1.26 -4.73 116.67 122.04 3i22 s ASP 7 Ca 0.00 2.58 0.00 0.00 -0.00 0.00 0.00 52.55 55.13 3i22 s ASP 7 Cb 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 3i22 s ASP 7 CO 0.00 -1.11 0.00 -0.67 -0.00 0.00 0.00 175.17 173.39 3i22 n ASP 8 N 7.83 0.00 -4.66 0.27 -0.08 -1.26 -5.05 116.55 113.59 3i22 n ASP 8 Ca 0.20 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.06 3i22 n ASP 8 Cb 0.41 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.85 3i22 n ASP 8 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3i22 s GLU 9 N 0.00 4.24 0.29 -0.67 0.41 -1.26 -4.23 118.70 117.48 3i22 s GLU 9 Ca 0.00 1.61 0.09 0.00 -0.41 0.00 0.00 54.97 56.26 3i22 s GLU 9 Cb 0.00 -3.73 -0.04 0.00 -1.78 0.00 0.00 34.13 28.58 3i22 s GLU 9 CO 0.00 -0.68 0.09 0.14 -0.49 0.00 0.00 175.26 174.32 3i22 s VAL 10 N 3.37 3.55 -0.16 2.63 -7.23 -1.19 -1.98 120.40 119.39 3i22 s VAL 10 Ca 0.53 -1.72 0.18 0.00 -1.81 0.00 0.00 61.98 59.15 3i22 s VAL 10 Cb -0.21 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 3i22 s VAL 10 CO 0.14 -0.31 1.00 -0.29 -0.31 0.00 0.00 175.10 175.32 3i22 h ILE 11 N 1.68 0.45 -4.68 -0.62 2.10 -1.63 -2.77 117.51 112.05 3i22 h ILE 11 Ca -0.45 -1.80 0.00 0.00 1.08 0.00 0.00 64.86 63.69 3i22 h ILE 11 Cb 1.25 1.99 -0.06 0.00 -1.09 0.00 0.00 36.82 38.91 3i22 h ILE 11 CO 0.61 0.25 -1.10 0.52 -1.08 0.00 0.00 178.15 177.35 3i22 n VAL 12 N -2.91-10.79 -3.79 2.19 0.31 -1.25 -3.97 118.33 98.11 3i22 n VAL 12 Ca -0.05 1.96 -0.32 0.00 -0.01 0.00 0.00 64.34 65.92 3i22 n VAL 12 Cb 0.76 -6.20 -0.10 0.00 -0.91 0.00 0.00 33.84 27.38 3i22 n VAL 12 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3i22 s LEU 13 N -0.90 5.09 0.00 7.52 0.05 -1.16 -4.43 118.68 124.85 3i22 s LEU 13 Ca -0.13 -3.60 0.00 0.00 0.05 0.00 0.00 54.13 50.45 3i22 s LEU 13 Cb 0.01 -1.76 0.00 0.00 -2.05 0.00 0.00 46.19 42.39 3i22 s LEU 13 CO 0.65 -0.17 0.00 1.07 -0.55 0.00 0.00 176.35 177.35 3i22 n THR 14 N 2.40 0.00 -3.51 5.48 5.66 -1.25 -4.51 114.28 118.56 3i22 n THR 14 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 3i22 n THR 14 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 3i22 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i22 n GLY 15 N 0.11 0.84 7.00 1.09 0.00 -1.26 -5.04 105.19 107.93 3i22 n GLY 15 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i22 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i22 n LYS 16 N 0.00 0.00 -2.14 1.61 0.00 -1.26 -3.20 118.16 113.18 3i22 n LYS 16 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 3i22 n LYS 16 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 3i22 n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i22 n ASP 17 N 5.26 3.45 -0.00 3.14 9.92 -1.25 -4.76 116.55 132.30 3i22 n ASP 17 Ca 0.00 -2.74 -0.00 0.00 -0.53 0.00 0.00 54.79 51.52 3i22 n ASP 17 Cb 0.00 -1.72 -0.00 0.00 -0.64 0.00 0.00 41.12 38.76 3i22 n ASP 17 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3i22 h LYS 18 N 9.17 0.00 -1.48 -1.24 3.64 -1.85 -3.39 116.57 121.43 3i22 h LYS 18 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3i22 h LYS 18 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3i22 h LYS 18 CO 1.30 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.89 3i22 n GLY 19 N 1.91 1.14 3.22 5.01 0.00 -1.26 -4.59 105.19 110.62 3i22 n GLY 19 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3i22 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i22 s LYS 20 N 0.47 1.25 0.58 1.61 0.00 -1.25 -5.09 119.74 117.31 3i22 s LYS 20 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 55.97 55.10 3i22 s LYS 20 Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 37.83 36.55 3i22 s LYS 20 CO 0.00 0.34 0.81 -0.98 0.00 0.00 0.00 175.35 175.52 3i22 s ARG 21 N -1.21 2.28 0.00 1.78 1.70 -1.26 -4.24 118.95 118.00 3i22 s ARG 21 Ca 0.06 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 3i22 s ARG 21 Cb -0.09 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3i22 s ARG 21 CO 0.02 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 173.76 3i22 n GLY 22 N -2.38 1.05 3.47 3.88 0.00 -1.04 -4.82 105.19 105.34 3i22 n GLY 22 Ca 0.12 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3i22 n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 23 N -0.12 -1.48 -3.73 1.61 4.76 -1.26 -3.18 118.16 114.77 3i22 n LYS 23 Ca 0.00 -0.39 -0.37 0.00 -2.87 0.00 0.00 58.31 54.67 3i22 n LYS 23 Cb 0.00 -2.07 -0.12 0.00 -1.84 0.00 0.00 35.03 31.00 3i22 n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i22 s VAL 24 N -2.42 4.25 0.02 -0.18 1.01 -1.26 -2.17 120.40 119.65 3i22 s VAL 24 Ca 0.64 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3i22 s VAL 24 Cb -0.21 -3.13 -0.35 0.00 0.00 0.00 0.00 36.38 32.68 3i22 s VAL 24 CO 0.64 0.15 0.98 0.50 0.00 0.00 0.00 175.10 177.37 3i22 h LYS 25 N 8.27 0.51 -1.90 2.72 1.63 -1.70 -3.46 116.57 122.64 3i22 h LYS 25 Ca -0.34 -0.87 0.12 0.00 -0.85 0.00 0.00 60.65 58.71 3i22 h LYS 25 Cb 1.15 0.33 -0.19 0.00 -0.60 0.00 0.00 32.23 32.92 3i22 h LYS 25 CO 0.60 1.42 0.56 0.54 -3.45 0.00 0.00 179.45 179.12 3i22 s ASN 26 N -7.51 -0.33 0.11 4.20 2.20 -1.26 -5.12 114.94 107.23 3i22 s ASN 26 Ca -0.10 0.15 0.09 0.00 -0.94 0.00 0.00 52.86 52.06 3i22 s ASN 26 Cb 0.04 0.32 -0.04 0.00 -2.00 0.00 0.00 41.25 39.57 3i22 s ASN 26 CO 0.93 -0.46 -0.17 0.54 -2.94 0.00 0.00 177.10 175.00 3i22 s VAL 27 N -2.27 2.91 0.36 3.54 0.11 -1.26 -3.36 120.40 120.42 3i22 s VAL 27 Ca 0.03 -1.44 0.08 0.00 -2.93 0.00 0.00 61.98 57.72 3i22 s VAL 27 Cb -0.01 -2.33 -0.07 0.00 -1.53 0.00 0.00 36.38 32.45 3i22 s VAL 27 CO -0.05 0.12 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.04 3i22 s LEU 28 N -2.09 2.72 -0.01 2.54 1.43 -1.15 -5.03 118.68 117.10 3i22 s LEU 28 Ca 0.18 -1.26 0.16 0.00 -1.03 0.00 0.00 54.13 52.19 3i22 s LEU 28 Cb -0.11 -0.90 0.48 0.00 0.03 0.00 0.00 46.19 45.69 3i22 s LEU 28 CO 0.10 -0.31 1.40 -1.54 0.23 0.00 0.00 176.35 176.23 3i22 n SER 29 N -0.82 3.46 -1.41 2.29 3.41 -1.26 -4.37 113.62 114.93 3i22 n SER 29 Ca -0.05 -2.03 0.05 0.00 -0.26 0.00 0.00 58.87 56.58 3i22 n SER 29 Cb 0.65 -0.36 0.26 0.00 -0.26 0.00 0.00 64.21 64.50 3i22 n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i22 n SER 30 N 1.04 4.08 0.00 4.04 7.64 -1.26 -4.82 113.62 124.34 3i22 n SER 30 Ca 0.18 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.46 3i22 n SER 30 Cb 0.54 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3i22 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i22 n GLY 31 N 0.41 0.45 3.53 0.23 0.00 -1.26 -5.00 105.19 103.55 3i22 n GLY 31 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3i22 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 32 N -0.53 2.89 0.00 1.61 -0.14 -1.26 -1.40 119.74 120.91 3i22 s LYS 32 Ca 0.00 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 3i22 s LYS 32 Cb 0.00 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 3i22 s LYS 32 CO 0.00 0.56 0.00 1.33 -0.76 0.00 0.00 175.35 176.48 3i22 n VAL 33 N 2.54 0.00 -3.53 3.17 0.24 -1.26 -2.93 118.33 116.56 3i22 n VAL 33 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3i22 n VAL 33 Cb 0.53 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 3i22 n VAL 33 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i22 s ILE 34 N 2.09 -0.68 0.00 1.34 1.01 -1.21 -2.92 121.20 120.83 3i22 s ILE 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3i22 s ILE 34 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3i22 s ILE 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 174.94 175.46 3i22 n VAL 35 N 5.11 0.00 -3.92 2.92 0.31 -1.26 -3.38 118.33 118.11 3i22 n VAL 35 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 3i22 n VAL 35 Cb 0.51 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.30 3i22 n VAL 35 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i22 s GLU 36 N 4.73 1.51 -0.52 5.55 2.12 -0.92 -4.08 118.70 127.07 3i22 s GLU 36 Ca 0.00 -2.02 -0.01 0.00 0.36 0.00 0.00 54.97 53.30 3i22 s GLU 36 Cb 0.00 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.42 3i22 s GLU 36 CO 0.00 -1.03 0.44 0.41 -0.54 0.00 0.00 175.26 174.55 3i22 n GLY 37 N 3.89 0.17 0.00 -1.50 0.00 -1.26 -4.69 105.19 101.80 3i22 n GLY 37 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.83 3i22 n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i22 n ILE 38 N -2.69 0.00 -0.07 -0.61 -0.00 -1.26 -4.79 119.36 109.93 3i22 n ILE 38 Ca -0.08 -0.16 -0.14 0.00 -0.00 0.00 0.00 62.75 62.37 3i22 n ILE 38 Cb 0.56 0.50 -0.06 0.00 -0.00 0.00 0.00 39.64 40.63 3i22 n ILE 38 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i22 n ASN 39 N -1.57 1.88 0.00 4.38 3.02 -1.26 -3.84 115.26 117.86 3i22 n ASN 39 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3i22 n ASN 39 Cb 0.11 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3i22 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i22 n LEU 40 N -3.35 0.00 0.00 3.41 -0.00 -1.26 -4.78 117.00 111.02 3i22 n LEU 40 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 3i22 n LEU 40 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 3i22 n LEU 40 CO 0.07 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.79 3i22 n VAL 41 N 0.00 0.00 -3.66 1.47 0.24 -1.24 -4.95 118.33 110.18 3i22 n VAL 41 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3i22 n VAL 41 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 3i22 n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i22 s LYS 42 N 4.16 0.27 -0.23 7.34 2.20 -1.26 -4.15 119.74 128.07 3i22 s LYS 42 Ca 0.00 0.94 0.01 0.00 -0.36 0.00 0.00 55.97 56.57 3i22 s LYS 42 Cb 0.00 0.22 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 3i22 s LYS 42 CO 0.00 -0.26 -0.08 0.21 -0.36 0.00 0.00 175.35 174.86 3i22 s LYS 43 N 2.54 1.87 0.00 4.03 2.20 -0.68 -5.00 119.74 124.69 3i22 s LYS 43 Ca -0.01 -1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 54.55 3i22 s LYS 43 Cb -0.12 -2.61 -0.08 0.00 -1.51 0.00 0.00 37.83 33.51 3i22 s LYS 43 CO -0.11 -0.55 2.44 0.72 -0.36 0.00 0.00 175.35 177.49 3i22 n HIS 44 N 4.62 0.00 -1.61 4.03 8.25 -1.26 -2.37 115.22 126.88 3i22 n HIS 44 Ca -0.13 -1.13 -0.45 0.00 -0.26 0.00 0.00 57.72 55.74 3i22 n HIS 44 Cb 0.44 -0.81 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 3i22 n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i22 n GLN 45 N 1.79 1.46 -2.67 -0.41 1.13 -1.26 -4.92 117.38 112.51 3i22 n GLN 45 Ca 0.12 0.52 -0.35 0.00 -1.94 0.00 0.00 57.00 55.35 3i22 n GLN 45 Cb 0.61 -1.97 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 3i22 n GLN 45 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i22 s LYS 46 N -1.15 4.21 0.00 -1.09 1.02 -1.26 -4.87 119.74 116.60 3i22 s LYS 46 Ca 0.63 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.97 3i22 s LYS 46 Cb -0.72 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3i22 s LYS 46 CO 0.57 -0.07 0.00 -0.35 -0.92 0.00 0.00 175.35 174.58 3i22 n PRO 47 N -0.23 2.48 -3.64 -1.68 -0.04 -1.26 -5.12 135.00 125.51 3i22 n PRO 47 Ca 0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 3i22 n PRO 47 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 3i22 n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i22 s VAL 48 N 0.42 -0.01 -1.94 0.52 0.11 -1.26 -5.03 120.40 113.22 3i22 s VAL 48 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i22 s VAL 48 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i22 s VAL 48 CO 0.00 0.00 0.24 -2.65 -3.33 0.00 0.00 175.10 169.36 3i22 n PRO 49 N 3.82 0.25 -3.85 1.54 -0.02 -1.26 -3.39 135.00 132.09 3i22 n PRO 49 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.96 3i22 n PRO 49 Cb 0.58 -1.01 -0.12 0.00 -0.02 0.00 0.00 33.50 32.93 3i22 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i22 s ALA 50 N -1.94 3.38 -0.95 3.55 0.00 -1.26 -4.78 121.76 119.77 3i22 s ALA 50 Ca 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 51.96 48.75 3i22 s ALA 50 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 3i22 s ALA 50 CO 0.00 -2.01 0.82 1.28 0.00 0.00 0.00 175.76 175.85 3i22 n LEU 51 N 3.45 -5.03 -3.15 0.00 4.77 -1.26 -5.04 117.00 110.74 3i22 n LEU 51 Ca 0.06 -0.62 0.06 0.00 -0.03 0.00 0.00 56.01 55.48 3i22 n LEU 51 Cb 0.36 -2.90 -0.01 0.00 -2.33 0.00 0.00 43.42 38.54 3i22 n LEU 51 CO 0.33 0.12 0.74 0.21 -1.33 0.00 0.00 177.39 177.47 3i22 s ASN 52 N -3.47 -0.04 -0.62 -1.43 2.47 -1.22 -5.00 114.94 105.64 3i22 s ASN 52 Ca 0.35 0.02 0.06 0.00 0.42 0.00 0.00 52.86 53.71 3i22 s ASN 52 Cb -0.05 1.03 0.26 0.00 -1.45 0.00 0.00 41.25 41.04 3i22 s ASN 52 CO 0.65 -0.01 0.75 0.00 -3.72 0.00 0.00 177.10 174.78 3i22 n GLN 53 N 5.36 2.48 -0.03 0.43 6.02 -1.26 -4.08 117.38 126.30 3i22 n GLN 53 Ca -0.04 -4.61 -0.01 0.00 -0.01 0.00 0.00 57.00 52.33 3i22 n GLN 53 Cb 0.56 -2.20 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 3i22 n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3i22 h PRO 54 N 4.07 0.00 -5.79 -1.09 0.13 -1.98 -3.48 132.00 123.86 3i22 h PRO 54 Ca 0.19 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.89 3i22 h PRO 54 Cb 0.66 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.70 3i22 h PRO 54 CO 0.82 0.00 -0.64 0.41 -0.23 0.00 0.00 178.00 178.35 3i22 n GLY 55 N 1.79 -0.48 2.56 1.56 0.00 -1.26 -4.93 105.19 104.42 3i22 n GLY 55 Ca -0.02 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 3i22 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i22 s GLY 56 N -2.92 0.51 0.55 -0.02 0.00 -1.26 -5.14 107.32 99.04 3i22 s GLY 56 Ca 0.51 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.63 3i22 s GLY 56 CO 0.62 2.28 0.70 0.29 0.00 0.00 0.00 173.10 176.99 3i22 n ILE 57 N 4.41 2.62 -3.05 0.90 -5.35 -1.26 -4.96 119.36 112.67 3i22 n ILE 57 Ca 0.07 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.75 3i22 n ILE 57 Cb 0.40 -0.85 -0.04 0.00 -1.74 0.00 0.00 39.64 37.42 3i22 n ILE 57 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i22 s VAL 58 N -1.59 4.84 -0.03 7.28 1.01 -1.00 -4.97 120.40 125.94 3i22 s VAL 58 Ca 0.69 0.52 0.24 0.00 0.00 0.00 0.00 61.98 63.44 3i22 s VAL 58 Cb -0.47 -3.71 0.41 0.00 0.00 0.00 0.00 36.38 32.62 3i22 s VAL 58 CO 0.53 -0.39 1.16 1.21 0.00 0.00 0.00 175.10 177.60 3i22 n GLU 59 N -0.99 0.17 -2.84 2.72 0.00 -1.26 -1.68 120.64 116.76 3i22 n GLU 59 Ca 0.01 -2.08 -0.19 0.00 0.00 0.00 0.00 57.16 54.91 3i22 n GLU 59 Cb 0.54 -0.12 0.02 0.00 0.00 0.00 0.00 31.44 31.88 3i22 n GLU 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i22 s LYS 60 N -0.35 2.70 0.35 5.31 -0.14 -1.26 -4.41 119.74 121.94 3i22 s LYS 60 Ca 0.31 -1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 53.86 3i22 s LYS 60 Cb 0.36 -2.62 0.09 0.00 -1.68 0.00 0.00 37.83 33.98 3i22 s LYS 60 CO -0.15 -0.48 0.27 -0.85 -0.76 0.00 0.00 175.35 173.38 3i22 n GLU 61 N -2.09 -1.97 0.00 1.68 0.00 -1.26 -3.67 120.64 113.33 3i22 n GLU 61 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 57.16 56.79 3i22 n GLU 61 Cb 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 31.44 31.57 3i22 n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n ALA 62 N -3.59 0.00 -2.45 -1.84 0.00 -1.26 -4.74 120.51 106.64 3i22 n ALA 62 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3i22 n ALA 62 Cb 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 3i22 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 s ALA 63 N -1.26 2.57 -0.45 0.00 0.00 -1.26 -4.53 121.76 116.83 3i22 s ALA 63 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 50.79 3i22 s ALA 63 Cb 0.00 -0.69 0.21 0.00 0.00 0.00 0.00 23.12 22.64 3i22 s ALA 63 CO 0.00 0.57 0.59 1.51 0.00 0.00 0.00 175.76 178.44 3i22 n ILE 64 N 1.45 -0.54 -1.90 0.00 3.06 -1.15 -4.91 119.36 115.36 3i22 n ILE 64 Ca -0.16 -2.63 0.00 0.00 -2.50 0.00 0.00 62.75 57.46 3i22 n ILE 64 Cb 0.52 -0.47 0.00 0.00 0.54 0.00 0.00 39.64 40.24 3i22 n ILE 64 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i22 n GLN 65 N 2.21 -4.67 0.14 9.51 1.13 -1.26 -4.55 117.38 119.89 3i22 n GLN 65 Ca 0.20 3.36 0.12 0.00 -1.94 0.00 0.00 57.00 58.74 3i22 n GLN 65 Cb 0.54 -3.77 0.05 0.00 0.11 0.00 0.00 30.24 27.17 3i22 n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3i22 h VAL 66 N 3.13 0.00 0.32 5.09 3.04 -1.55 -3.38 116.25 122.90 3i22 h VAL 66 Ca 0.00 -1.01 -0.01 0.00 -1.01 0.00 0.00 66.70 64.67 3i22 h VAL 66 Cb 0.00 1.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3i22 h VAL 66 CO 0.00 0.00 -0.20 -1.28 -1.01 0.00 0.00 177.57 175.08 3i22 h SER 67 N 0.00 -0.52 -0.38 3.17 0.87 -1.90 -3.12 113.55 111.69 3i22 h SER 67 Ca -0.00 0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.34 3i22 h SER 67 Cb 1.00 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 63.02 3i22 h SER 67 CO 0.00 -0.31 0.15 0.59 -0.53 0.00 0.00 176.83 176.74 3i22 n ASN 68 N -3.54 5.95 -3.86 6.23 4.13 -1.26 -4.79 115.26 118.13 3i22 n ASN 68 Ca -0.06 -2.81 -0.22 0.00 1.68 0.00 0.00 54.58 53.17 3i22 n ASN 68 Cb 0.21 -1.18 -0.17 0.00 -1.54 0.00 0.00 39.78 37.10 3i22 n ASN 68 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i22 s VAL 69 N -1.08 0.58 0.11 2.41 1.01 -1.18 -2.97 120.40 119.28 3i22 s VAL 69 Ca 0.35 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.34 3i22 s VAL 69 Cb 0.22 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3i22 s VAL 69 CO -0.04 0.26 -0.22 0.00 0.00 0.00 0.00 175.10 175.10 3i22 s ALA 70 N 1.35 2.52 -0.06 5.51 0.00 -1.26 -4.96 121.76 124.85 3i22 s ALA 70 Ca -0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 3i22 s ALA 70 Cb -0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3i22 s ALA 70 CO -0.03 0.57 0.69 0.96 0.00 0.00 0.00 175.76 177.95 3i22 s ILE 71 N -1.05 5.04 0.46 0.00 -4.36 -1.26 -1.78 121.20 118.25 3i22 s ILE 71 Ca 0.15 1.43 -0.22 0.00 -0.26 0.00 0.00 60.65 61.75 3i22 s ILE 71 Cb -0.10 -4.03 -0.08 0.00 1.25 0.00 0.00 42.46 39.50 3i22 s ILE 71 CO 0.07 0.26 1.12 0.12 0.24 0.00 0.00 174.94 176.75 3i22 s PHE 72 N 0.75 2.95 0.00 1.37 5.99 -0.84 -4.45 117.98 123.76 3i22 s PHE 72 Ca 0.37 1.57 0.00 0.00 0.00 0.00 0.00 56.93 58.87 3i22 s PHE 72 Cb -0.18 -3.28 0.00 0.00 0.00 0.00 0.00 43.02 39.57 3i22 s PHE 72 CO 0.18 -1.24 0.00 0.27 -0.00 0.00 0.00 175.22 174.43 3i22 n ASN 73 N -0.55 3.58 0.00 6.13 0.23 -1.25 -4.86 115.26 118.54 3i22 n ASN 73 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 3i22 n ASN 73 Cb 0.49 0.65 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 3i22 n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i22 n ALA 74 N -1.16 0.00 0.30 -2.53 0.00 -1.26 -4.59 120.51 111.26 3i22 n ALA 74 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3i22 n ALA 74 Cb 0.07 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.44 3i22 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 75 N 0.00 1.38 0.00 0.00 0.00 -1.96 -2.74 119.26 115.94 3i22 h ALA 75 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i22 h ALA 75 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i22 h ALA 75 CO 0.00 0.03 -0.38 0.25 0.00 0.00 0.00 179.25 179.15 3i22 n THR 76 N -3.66 0.00 -2.12 0.00 -2.24 -1.26 -5.02 114.28 99.97 3i22 n THR 76 Ca -0.03 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3i22 n THR 76 Cb 0.12 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3i22 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 77 N 1.44 0.06 0.00 3.38 0.00 -1.04 -4.97 105.19 104.06 3i22 n GLY 77 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i22 n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 78 N -2.34 0.03 -4.30 1.61 5.02 -1.26 -4.92 118.16 112.00 3i22 n LYS 78 Ca -0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.91 3i22 n LYS 78 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.48 3i22 n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 s ALA 79 N -2.00 1.65 0.00 7.82 0.00 -1.26 -3.84 121.76 124.13 3i22 s ALA 79 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3i22 s ALA 79 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3i22 s ALA 79 CO 0.00 0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.68 3i22 n ASP 80 N 1.23 0.00 -0.27 0.00 5.75 -1.26 -5.09 116.55 116.91 3i22 n ASP 80 Ca -0.20 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 3i22 n ASP 80 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3i22 n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i22 n ARG 81 N 0.00 3.55 0.00 0.11 3.00 -1.26 -4.57 116.66 117.48 3i22 n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3i22 n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i22 n ARG 81 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i22 n VAL 82 N 0.00 0.00 0.00 1.55 0.24 -1.26 -4.14 118.33 114.72 3i22 n VAL 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i22 n VAL 82 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i22 n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i22 n GLY 83 N 0.00 2.97 3.37 7.63 0.00 -1.26 -2.40 105.19 115.50 3i22 n GLY 83 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 3i22 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i22 s PHE 84 N -0.85 2.99 -0.30 1.61 0.40 -1.25 -2.59 117.98 117.98 3i22 s PHE 84 Ca 0.00 -0.72 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 3i22 s PHE 84 Cb 0.00 -2.10 0.20 0.00 0.51 0.00 0.00 43.02 41.63 3i22 s PHE 84 CO 0.00 -0.42 1.24 0.50 0.70 0.00 0.00 175.22 177.25 3i22 s ARG 85 N 1.29 0.07 0.00 0.44 3.00 0.62 -4.99 118.95 119.38 3i22 s ARG 85 Ca 0.04 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.90 3i22 s ARG 85 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 34.95 34.84 3i22 s ARG 85 CO -0.00 -0.02 0.00 0.34 0.00 0.00 0.00 175.30 175.62 3i22 n PHE 86 N 3.50 0.00 -0.78 5.12 -0.00 -1.04 -4.65 117.46 119.61 3i22 n PHE 86 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 3i22 n PHE 86 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.04 3i22 n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i22 n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.09 120.64 110.16 3i22 n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i22 n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i22 n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i22 n ASP 88 N 0.00 0.00 0.00 -1.84 2.03 -1.26 -5.09 116.55 110.39 3i22 n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i22 n ASP 88 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 3i22 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i22 n GLY 89 N 0.00 -1.83 3.30 0.27 0.00 -1.26 -4.82 105.19 100.85 3i22 n GLY 89 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3i22 n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 90 N -0.25 -0.51 -0.07 1.61 5.02 -1.26 -5.02 118.16 117.68 3i22 n LYS 90 Ca 0.00 -2.06 -0.05 0.00 -2.02 0.00 0.00 58.31 54.19 3i22 n LYS 90 Cb 0.00 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 3i22 n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i22 n LYS 91 N -2.95 0.86 -1.00 1.97 5.02 -1.26 -4.37 118.16 116.42 3i22 n LYS 91 Ca 0.14 -0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3i22 n LYS 91 Cb 0.50 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 3i22 n LYS 91 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3i22 n VAL 92 N -2.58 0.00 -4.08 -0.18 0.24 -1.26 -0.27 118.33 110.20 3i22 n VAL 92 Ca -0.24 0.16 -0.17 0.00 -2.04 0.00 0.00 64.34 62.04 3i22 n VAL 92 Cb 0.97 -0.46 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 3i22 n VAL 92 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i22 s ARG 93 N -2.50 0.50 -0.73 7.34 0.52 -1.24 -2.78 118.95 120.06 3i22 s ARG 93 Ca 0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.18 3i22 s ARG 93 Cb 0.00 -0.56 0.23 0.00 0.52 0.00 0.00 34.95 35.14 3i22 s ARG 93 CO 0.00 -0.04 0.75 1.97 0.02 0.00 0.00 175.30 178.00 3i22 n PHE 94 N 3.71 3.50 -0.05 -0.53 -0.00 -1.07 -3.92 117.46 119.11 3i22 n PHE 94 Ca -0.22 -4.06 0.00 0.00 -0.00 0.00 0.00 57.45 53.16 3i22 n PHE 94 Cb 0.53 -0.71 0.00 0.00 -0.00 0.00 0.00 39.48 39.30 3i22 n PHE 94 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i22 n PHE 95 N 1.36 0.00 -0.57 2.97 3.01 -1.25 -3.89 117.46 119.08 3i22 n PHE 95 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.72 3i22 n PHE 95 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3i22 n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i22 n LYS 96 N 0.03 0.00 0.00 -1.08 5.02 -1.01 -1.32 118.16 119.80 3i22 n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i22 n LYS 96 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 3i22 n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i22 n SER 97 N 2.23 0.00 0.00 4.39 3.41 -1.25 -4.85 113.62 117.55 3i22 n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i22 n SER 97 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3i22 n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i22 n ASN 98 N 0.00 0.00 -3.18 4.04 0.23 -0.43 -5.17 115.26 110.75 3i22 n ASN 98 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.09 3i22 n ASN 98 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 3i22 n ASN 98 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3i22 s SER 99 N 0.35 -0.11 0.00 0.53 0.01 -1.26 -4.54 113.70 108.68 3i22 s SER 99 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 3i22 s SER 99 Cb 0.00 1.12 0.00 0.00 0.21 0.00 0.00 66.02 67.35 3i22 s SER 99 CO 0.00 -0.02 0.53 -0.62 0.41 0.00 0.00 173.24 173.53 3i22 n GLU 100 N 4.86 0.63 -0.28 12.44 1.02 -1.26 -5.04 120.64 133.02 3i22 n GLU 100 Ca -0.07 -0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 56.30 3i22 n GLU 100 Cb 0.55 -0.68 -0.02 0.00 -0.02 0.00 0.00 31.44 31.27 3i22 n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3i22 n THR 101 N -0.12 0.00 -0.41 2.62 -1.04 -1.25 -5.10 114.28 108.98 3i22 n THR 101 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i22 n THR 101 Cb 0.34 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3i22 n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43