#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n s ALA 2 N 0.00 3.05 0.34 0.00 0.00 -1.26 -4.88 121.76 119.02 3i1n s ALA 2 Ca 0.00 -1.20 0.13 0.00 0.00 0.00 0.00 51.96 50.89 3i1n s ALA 2 Cb 0.00 -3.90 0.66 0.00 0.00 0.00 0.00 23.12 19.87 3i1n s ALA 2 CO 0.00 -2.62 1.78 0.87 0.00 0.00 0.00 175.76 175.79 3i1n h LYS 3 N 9.50 0.00 -4.70 0.00 1.57 -2.00 -3.42 116.57 117.52 3i1n h LYS 3 Ca -0.26 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.98 3i1n h LYS 3 Cb 1.07 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.04 3i1n h LYS 3 CO 1.15 0.42 -0.82 0.42 -0.57 0.00 0.00 179.45 180.05 3i1n s ILE 4 N -4.05 1.28 0.00 1.86 1.01 -1.26 -4.90 121.20 115.14 3i1n s ILE 4 Ca -0.02 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 3i1n s ILE 4 Cb 0.14 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.47 3i1n s ILE 4 CO 0.73 0.39 0.20 0.00 0.00 0.00 0.00 174.94 176.26 3i1n s ARG 5 N 0.58 0.58 0.00 2.79 1.70 -1.26 -5.05 118.95 118.29 3i1n s ARG 5 Ca -0.15 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 3i1n s ARG 5 Cb -0.16 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 3i1n s ARG 5 CO 0.04 -0.15 0.00 -2.13 -1.08 0.00 0.00 175.30 171.98 3i1n n ARG 6 N 1.26 0.00 -1.67 3.89 3.00 -1.26 -3.96 116.66 117.92 3i1n n ARG 6 Ca -0.22 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.20 3i1n n ARG 6 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.99 3i1n n ARG 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i1n n ASP 7 N 0.00 4.00 0.00 6.15 10.43 -1.26 -3.96 116.55 131.91 3i1n n ASP 7 Ca 0.00 0.93 0.00 0.00 2.57 0.00 0.00 54.79 58.29 3i1n n ASP 7 Cb 0.00 -1.49 0.00 0.00 1.84 0.00 0.00 41.12 41.47 3i1n n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3i1n n ASP 8 N 7.10 0.00 -4.67 -2.24 4.64 -1.25 -4.94 116.55 115.19 3i1n n ASP 8 Ca 0.20 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.19 3i1n n ASP 8 Cb 0.38 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.43 3i1n n ASP 8 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 3i1n s GLU 9 N 0.00 4.25 0.11 -0.67 2.12 -1.26 -2.12 118.70 121.13 3i1n s GLU 9 Ca 0.00 1.74 0.06 0.00 0.36 0.00 0.00 54.97 57.12 3i1n s GLU 9 Cb 0.00 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3i1n s GLU 9 CO 0.00 -0.68 -0.14 0.14 -0.54 0.00 0.00 175.26 174.04 3i1n s VAL 10 N 3.32 1.27 0.15 3.70 -7.23 -1.02 -1.66 120.40 118.93 3i1n s VAL 10 Ca 0.57 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 3i1n s VAL 10 Cb -0.24 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3i1n s VAL 10 CO 0.18 -0.39 0.18 -0.51 -0.31 0.00 0.00 175.10 174.24 3i1n s ILE 11 N -2.01 4.74 0.18 -0.62 2.07 -0.34 -1.54 121.20 123.68 3i1n s ILE 11 Ca 0.07 -0.94 -0.14 0.00 -1.41 0.00 0.00 60.65 58.22 3i1n s ILE 11 Cb -0.06 -3.42 -0.07 0.00 0.13 0.00 0.00 42.46 39.05 3i1n s ILE 11 CO 0.03 -0.09 0.58 -0.69 -1.91 0.00 0.00 174.94 172.86 3i1n s VAL 12 N -1.73 4.82 -0.07 4.00 1.01 -0.44 -1.69 120.40 126.31 3i1n s VAL 12 Ca 0.32 0.82 0.11 0.00 0.00 0.00 0.00 61.98 63.22 3i1n s VAL 12 Cb -0.10 -3.72 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 3i1n s VAL 12 CO 0.25 0.14 0.14 0.18 0.00 0.00 0.00 175.10 175.81 3i1n n LEU 13 N 0.52 0.00 -3.74 3.92 4.77 0.89 -4.15 117.00 119.21 3i1n n LEU 13 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 3i1n n LEU 13 Cb 0.52 0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 3i1n n LEU 13 CO 0.43 0.15 -0.11 0.42 -1.33 0.00 0.00 177.39 176.94 3i1n s THR 14 N -2.51 -0.03 0.00 -5.08 -4.23 -1.22 -4.91 115.64 97.67 3i1n s THR 14 Ca -0.05 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3i1n s THR 14 Cb 0.05 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.51 3i1n s THR 14 CO 0.46 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 3i1n n GLY 15 N 3.99 -0.26 5.00 3.99 0.00 -1.26 -4.68 105.19 111.97 3i1n n GLY 15 Ca -0.23 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i1n n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 16 N 2.09 0.00 -0.56 1.61 4.76 -1.26 -3.57 118.16 121.23 3i1n n LYS 16 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 3i1n n LYS 16 Cb 0.00 0.00 0.30 0.00 -1.84 0.00 0.00 35.03 33.49 3i1n n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3i1n n ASP 17 N 1.00 4.40 0.00 4.39 10.43 -1.26 -4.93 116.55 130.58 3i1n n ASP 17 Ca 0.00 -2.86 0.00 0.00 2.57 0.00 0.00 54.79 54.50 3i1n n ASP 17 Cb 0.00 -0.56 0.00 0.00 1.84 0.00 0.00 41.12 42.40 3i1n n ASP 17 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1n n LYS 18 N 0.03 0.00 -0.67 -1.24 4.76 -1.23 -0.10 118.16 119.70 3i1n n LYS 18 Ca 0.23 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.68 3i1n n LYS 18 Cb 0.94 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 34.37 3i1n n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1n n GLY 19 N -0.04 4.33 3.54 0.72 0.00 -1.26 -3.25 105.19 109.24 3i1n n GLY 19 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3i1n n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 20 N -3.02 -1.36 0.27 1.61 3.01 0.85 -4.65 119.74 116.46 3i1n s LYS 20 Ca 0.45 0.08 0.02 0.00 -1.01 0.00 0.00 55.97 55.51 3i1n s LYS 20 Cb 0.38 -1.57 -0.03 0.00 -1.01 0.00 0.00 37.83 35.60 3i1n s LYS 20 CO 0.06 -3.83 0.24 1.03 0.51 0.00 0.00 175.35 173.36 3i1n s ARG 21 N -5.25 1.51 0.00 1.68 0.52 -1.26 -1.33 118.95 114.83 3i1n s ARG 21 Ca 0.70 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 3i1n s ARG 21 Cb -0.12 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.67 3i1n s ARG 21 CO 0.57 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.76 3i1n n GLY 22 N -0.45 3.49 3.75 -3.53 0.00 -0.59 -4.93 105.19 102.94 3i1n n GLY 22 Ca 0.04 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3i1n n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1n s LYS 23 N -2.12 4.18 -0.56 1.61 2.20 -1.26 -2.44 119.74 121.35 3i1n s LYS 23 Ca 0.00 2.46 -0.27 0.00 -0.36 0.00 0.00 55.97 57.80 3i1n s LYS 23 Cb 0.00 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 3i1n s LYS 23 CO 0.00 -0.53 1.69 0.08 -0.36 0.00 0.00 175.35 176.23 3i1n s VAL 24 N -0.12 3.52 0.42 4.02 1.01 -0.90 -1.35 120.40 126.99 3i1n s VAL 24 Ca 0.60 0.39 0.08 0.00 0.00 0.00 0.00 61.98 63.05 3i1n s VAL 24 Cb -0.45 -4.09 0.27 0.00 0.00 0.00 0.00 36.38 32.11 3i1n s VAL 24 CO 0.47 -0.96 2.06 0.11 0.00 0.00 0.00 175.10 176.77 3i1n h LYS 25 N 13.23 0.51 0.00 2.72 1.79 -0.64 -3.36 116.57 130.82 3i1n h LYS 25 Ca -0.28 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3i1n h LYS 25 Cb 1.14 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3i1n h LYS 25 CO 1.18 0.34 0.00 0.27 -1.08 0.00 0.00 179.45 180.16 3i1n n ASN 26 N -4.48 0.00 -4.89 0.86 0.23 -1.10 -4.94 115.26 100.95 3i1n n ASN 26 Ca 0.04 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.88 3i1n n ASN 26 Cb 0.09 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.76 3i1n n ASN 26 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i1n s VAL 27 N -2.00 3.85 -0.05 3.53 0.11 -1.26 -0.41 120.40 124.17 3i1n s VAL 27 Ca 0.00 -1.27 -0.10 0.00 -2.93 0.00 0.00 61.98 57.68 3i1n s VAL 27 Cb 0.00 -3.30 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 3i1n s VAL 27 CO 0.00 -0.20 0.23 -0.76 -3.33 0.00 0.00 175.10 171.04 3i1n s LEU 28 N -4.02 1.13 0.45 2.54 1.43 -0.52 -4.95 118.68 114.75 3i1n s LEU 28 Ca 0.40 0.23 0.26 0.00 -1.03 0.00 0.00 54.13 54.00 3i1n s LEU 28 Cb -0.07 0.90 1.30 0.00 0.03 0.00 0.00 46.19 48.35 3i1n s LEU 28 CO 0.27 -0.24 1.74 0.77 0.23 0.00 0.00 176.35 179.13 3i1n h SER 29 N 4.96 0.28 0.00 2.29 4.64 -2.01 -1.83 113.55 121.89 3i1n h SER 29 Ca -0.28 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3i1n h SER 29 Cb 1.19 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i1n h SER 29 CO 0.38 0.00 0.08 -1.20 -0.87 0.00 0.00 176.83 175.22 3i1n n SER 30 N -4.52 0.39 0.00 4.97 7.64 -1.26 -4.71 113.62 116.14 3i1n n SER 30 Ca 0.28 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3i1n n SER 30 Cb 1.12 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3i1n n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1n n GLY 31 N -1.32 0.69 3.64 0.23 0.00 -0.69 -5.06 105.19 102.69 3i1n n GLY 31 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3i1n n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 32 N -0.81 2.32 0.42 1.61 1.02 -1.22 -1.19 119.74 121.89 3i1n s LYS 32 Ca 0.00 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 54.82 3i1n s LYS 32 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3i1n s LYS 32 CO 0.00 0.43 0.04 0.14 -0.92 0.00 0.00 175.35 175.04 3i1n s VAL 33 N -1.87 1.28 -0.40 3.17 -7.23 -0.19 -1.44 120.40 113.72 3i1n s VAL 33 Ca 0.28 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 3i1n s VAL 33 Cb -0.08 -2.57 0.12 0.00 0.56 0.00 0.00 36.38 34.41 3i1n s VAL 33 CO 0.18 0.00 0.19 -0.63 -0.31 0.00 0.00 175.10 174.54 3i1n s ILE 34 N -3.00 1.36 0.07 -0.62 1.01 0.45 -0.24 121.20 120.23 3i1n s ILE 34 Ca 0.24 -2.29 -0.23 0.00 0.00 0.00 0.00 60.65 58.37 3i1n s ILE 34 Cb 0.06 -1.97 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 3i1n s ILE 34 CO 0.12 -0.82 0.71 -0.69 0.00 0.00 0.00 174.94 174.26 3i1n s VAL 35 N 0.67 4.69 0.33 2.92 1.01 -1.26 0.08 120.40 128.83 3i1n s VAL 35 Ca 0.15 1.51 -0.28 0.00 0.00 0.00 0.00 61.98 63.37 3i1n s VAL 35 Cb -0.23 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 3i1n s VAL 35 CO -0.06 0.44 1.22 -1.83 0.00 0.00 0.00 175.10 174.87 3i1n s GLU 36 N -0.46 4.38 -1.62 2.72 -1.05 -0.46 -2.70 118.70 119.51 3i1n s GLU 36 Ca 0.35 2.03 0.00 0.00 -0.15 0.00 0.00 54.97 57.20 3i1n s GLU 36 Cb -0.20 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.46 3i1n s GLU 36 CO 0.22 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.74 3i1n n GLY 37 N 0.88 0.84 0.00 -3.83 0.00 -1.26 -4.72 105.19 97.10 3i1n n GLY 37 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i1n n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1n n ILE 38 N -3.14 0.00 -1.81 -0.61 2.08 -1.10 -4.84 119.36 109.95 3i1n n ILE 38 Ca -0.18 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 62.93 3i1n n ILE 38 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.40 3i1n n ILE 38 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3i1n s ASN 39 N -0.78 4.30 -0.00 4.38 2.47 -1.26 -4.87 114.94 119.17 3i1n s ASN 39 Ca 0.00 -0.83 -0.16 0.00 0.42 0.00 0.00 52.86 52.29 3i1n s ASN 39 Cb 0.00 -2.58 -0.06 0.00 -1.45 0.00 0.00 41.25 37.17 3i1n s ASN 39 CO 0.00 -3.71 0.45 -0.76 -3.72 0.00 0.00 177.10 169.36 3i1n s LEU 40 N 13.53 4.46 0.04 3.21 1.43 -1.26 -0.15 118.68 139.93 3i1n s LEU 40 Ca 0.78 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.87 3i1n s LEU 40 Cb -0.06 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3i1n s LEU 40 CO 0.10 0.27 0.01 0.68 0.23 0.00 0.00 176.35 177.64 3i1n s VAL 41 N -0.83 0.16 -0.59 -1.59 -7.23 -0.32 -4.94 120.40 105.06 3i1n s VAL 41 Ca 0.25 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 3i1n s VAL 41 Cb -0.17 -0.99 0.15 0.00 0.56 0.00 0.00 36.38 35.93 3i1n s VAL 41 CO 0.14 -0.74 0.41 -0.54 -0.31 0.00 0.00 175.10 174.06 3i1n s LYS 42 N -2.87 2.50 0.90 4.82 3.01 -1.24 -0.08 119.74 126.77 3i1n s LYS 42 Ca -0.03 -2.38 -0.10 0.00 -1.01 0.00 0.00 55.97 52.45 3i1n s LYS 42 Cb 0.00 -3.74 0.14 0.00 -1.01 0.00 0.00 37.83 33.22 3i1n s LYS 42 CO -0.06 -1.16 1.15 0.15 0.51 0.00 0.00 175.35 175.94 3i1n s LYS 43 N 0.20 1.12 -0.40 1.68 1.02 0.57 -4.58 119.74 119.34 3i1n s LYS 43 Ca 0.15 1.57 0.05 0.00 0.02 0.00 0.00 55.97 57.77 3i1n s LYS 43 Cb -0.21 -1.74 0.62 0.00 -0.52 0.00 0.00 37.83 35.99 3i1n s LYS 43 CO -0.04 -2.56 1.79 0.72 -0.92 0.00 0.00 175.35 174.34 3i1n n HIS 44 N -4.10 2.50 0.00 3.18 8.25 -1.26 -1.62 115.22 122.17 3i1n n HIS 44 Ca 0.12 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.80 3i1n n HIS 44 Cb 0.52 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3i1n n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3i1n n GLN 45 N -1.14 0.00 -2.63 -0.41 7.27 -1.12 -4.43 117.38 114.92 3i1n n GLN 45 Ca 0.52 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 57.19 3i1n n GLN 45 Cb 1.49 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 34.09 3i1n n GLN 45 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3i1n s LYS 46 N 0.00 4.75 0.64 3.69 2.20 -1.26 -1.55 119.74 128.22 3i1n s LYS 46 Ca 0.00 1.62 -0.16 0.00 -0.36 0.00 0.00 55.97 57.07 3i1n s LYS 46 Cb 0.00 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3i1n s LYS 46 CO 0.00 0.36 1.14 -1.25 -0.36 0.00 0.00 175.35 175.24 3i1n s PRO 47 N -1.18 2.81 -0.19 4.03 0.04 -1.26 -4.66 135.00 134.59 3i1n s PRO 47 Ca 0.43 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 3i1n s PRO 47 Cb -0.28 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.38 3i1n s PRO 47 CO 0.36 -1.27 0.09 0.54 0.04 0.00 0.00 177.00 176.76 3i1n s VAL 48 N -2.08 -0.07 0.33 -0.36 0.11 -1.24 -4.92 120.40 112.18 3i1n s VAL 48 Ca 0.71 -0.25 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 3i1n s VAL 48 Cb -0.24 -0.63 0.39 0.00 -1.53 0.00 0.00 36.38 34.37 3i1n s VAL 48 CO 0.38 -0.33 1.58 -0.65 -3.33 0.00 0.00 175.10 172.75 3i1n h PRO 49 N 8.41 0.02 -5.51 1.54 0.11 -1.86 -2.97 132.00 131.73 3i1n h PRO 49 Ca -0.16 -0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.59 3i1n h PRO 49 Cb 1.13 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3i1n h PRO 49 CO 0.31 0.01 1.16 0.00 -0.21 0.00 0.00 178.00 179.27 3i1n s ALA 50 N -5.84 1.93 0.41 -0.75 0.00 -1.26 -4.59 121.76 111.66 3i1n s ALA 50 Ca -0.12 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.64 3i1n s ALA 50 Cb 0.31 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.76 3i1n s ALA 50 CO 0.78 -5.05 0.00 1.28 0.00 0.00 0.00 175.76 172.77 3i1n n LEU 51 N 13.85 -5.48 -2.94 0.00 4.77 -1.25 -4.84 117.00 121.12 3i1n n LEU 51 Ca 0.45 3.25 -0.13 0.00 -0.03 0.00 0.00 56.01 59.55 3i1n n LEU 51 Cb 0.47 -3.23 0.06 0.00 -2.33 0.00 0.00 43.42 38.39 3i1n n LEU 51 CO 0.68 -0.42 0.05 0.59 -1.33 0.00 0.00 177.39 176.96 3i1n n ASN 52 N 0.27 -4.53 -1.85 -1.43 5.03 -1.26 -4.83 115.26 106.65 3i1n n ASN 52 Ca 0.00 -0.55 -0.05 0.00 0.87 0.00 0.00 54.58 54.84 3i1n n ASN 52 Cb 0.00 -4.32 0.29 0.00 -1.02 0.00 0.00 39.78 34.74 3i1n n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1n n GLN 53 N -3.12 3.47 0.00 3.52 0.00 -1.12 -3.66 117.38 116.47 3i1n n GLN 53 Ca -0.12 -3.08 -0.18 0.00 0.00 0.00 0.00 57.00 53.63 3i1n n GLN 53 Cb 0.61 -2.16 -0.13 0.00 0.00 0.00 0.00 30.24 28.56 3i1n n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3i1n h PRO 54 N 2.41 0.21 -0.90 2.61 0.13 -1.93 -3.40 132.00 131.13 3i1n h PRO 54 Ca 0.25 -0.32 0.10 0.00 -0.87 0.00 0.00 66.00 65.16 3i1n h PRO 54 Cb 2.24 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 33.44 3i1n h PRO 54 CO 0.69 1.13 -0.26 0.41 -0.23 0.00 0.00 178.00 179.73 3i1n n GLY 55 N 1.53 -2.28 0.00 1.56 0.00 -1.26 -4.62 105.19 100.11 3i1n n GLY 55 Ca -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3i1n n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 56 N -2.91 4.02 3.70 -0.02 0.00 -0.59 -4.91 105.19 104.47 3i1n n GLY 56 Ca -0.01 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3i1n n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1n n ILE 57 N -1.65 3.00 -3.34 -0.61 5.41 -1.25 -2.79 119.36 118.13 3i1n n ILE 57 Ca 0.00 -0.31 -0.07 0.00 1.00 0.00 0.00 62.75 63.37 3i1n n ILE 57 Cb 0.00 -1.28 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 3i1n n ILE 57 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i1n s VAL 58 N -1.87 -0.68 -0.57 1.39 1.01 -0.64 -4.89 120.40 114.16 3i1n s VAL 58 Ca 0.76 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 3i1n s VAL 58 Cb -0.32 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.27 3i1n s VAL 58 CO 0.47 -0.09 0.94 -0.70 0.00 0.00 0.00 175.10 175.73 3i1n s GLU 59 N 2.61 3.29 0.16 2.72 2.12 -1.24 -0.32 118.70 128.04 3i1n s GLU 59 Ca 0.13 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.12 3i1n s GLU 59 Cb -0.15 -4.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 3i1n s GLU 59 CO -0.16 -1.54 0.02 0.21 -0.54 0.00 0.00 175.26 173.25 3i1n s LYS 60 N 3.97 1.05 0.43 4.30 2.47 0.88 -4.87 119.74 127.96 3i1n s LYS 60 Ca 0.29 -1.50 -0.24 0.00 -1.56 0.00 0.00 55.97 52.96 3i1n s LYS 60 Cb -0.13 -0.09 -0.08 0.00 -1.46 0.00 0.00 37.83 36.07 3i1n s LYS 60 CO 0.18 -0.18 1.15 -1.21 0.16 0.00 0.00 175.35 175.45 3i1n s GLU 61 N -3.96 3.91 -0.05 4.03 0.41 -1.26 -1.18 118.70 120.60 3i1n s GLU 61 Ca 0.24 1.77 0.03 0.00 -0.41 0.00 0.00 54.97 56.60 3i1n s GLU 61 Cb 0.07 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 3i1n s GLU 61 CO 0.03 -0.42 -0.11 0.00 -0.49 0.00 0.00 175.26 174.27 3i1n s ALA 62 N -1.51 1.11 0.62 5.21 0.00 0.78 -4.90 121.76 123.06 3i1n s ALA 62 Ca 0.60 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 3i1n s ALA 62 Cb -0.29 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.27 3i1n s ALA 62 CO 0.35 0.14 0.18 0.00 0.00 0.00 0.00 175.76 176.44 3i1n n ALA 63 N 3.55 -2.28 -3.69 0.00 0.00 -1.26 -4.43 120.51 112.40 3i1n n ALA 63 Ca -0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 3i1n n ALA 63 Cb 0.53 -1.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 3i1n n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i1n s ILE 64 N -1.89 -0.16 -0.25 0.00 2.07 0.66 -4.90 121.20 116.74 3i1n s ILE 64 Ca 0.61 0.13 -0.43 0.00 -1.41 0.00 0.00 60.65 59.55 3i1n s ILE 64 Cb -0.42 -0.57 -0.19 0.00 0.13 0.00 0.00 42.46 41.40 3i1n s ILE 64 CO 0.62 0.05 1.41 0.00 -1.91 0.00 0.00 174.94 175.11 3i1n n GLN 65 N 4.52 0.23 0.25 3.50 1.13 -1.26 -1.02 117.38 124.73 3i1n n GLN 65 Ca -0.20 0.08 0.07 0.00 -1.94 0.00 0.00 57.00 55.02 3i1n n GLN 65 Cb 0.54 -1.62 0.61 0.00 0.11 0.00 0.00 30.24 29.88 3i1n n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3i1n h VAL 66 N 4.19 1.02 0.00 5.09 3.04 -1.45 -1.55 116.25 126.60 3i1n h VAL 66 Ca -0.47 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3i1n h VAL 66 Cb 1.38 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3i1n h VAL 66 CO 0.85 0.03 0.00 -0.24 -1.01 0.00 0.00 177.57 177.20 3i1n n SER 67 N -4.50 0.09 -0.13 3.17 2.88 -1.26 -2.45 113.62 111.42 3i1n n SER 67 Ca -0.03 -0.52 0.04 0.00 -1.33 0.00 0.00 58.87 57.04 3i1n n SER 67 Cb 0.11 -0.05 0.06 0.00 -0.75 0.00 0.00 64.21 63.59 3i1n n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3i1n n ASN 68 N -0.19 1.53 -3.97 -3.46 3.02 -0.58 -5.01 115.26 106.60 3i1n n ASN 68 Ca 0.00 -2.36 -0.09 0.00 -0.03 0.00 0.00 54.58 52.11 3i1n n ASN 68 Cb 0.02 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 3i1n n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3i1n s VAL 69 N -1.50 0.16 0.30 2.41 -7.23 -1.03 -0.08 120.40 113.43 3i1n s VAL 69 Ca 0.14 -1.31 0.08 0.00 -1.81 0.00 0.00 61.98 59.08 3i1n s VAL 69 Cb 0.12 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 3i1n s VAL 69 CO 0.01 -0.72 -0.10 0.00 -0.31 0.00 0.00 175.10 173.98 3i1n s ALA 70 N -3.13 2.60 0.64 1.32 0.00 -0.68 -4.88 121.76 117.62 3i1n s ALA 70 Ca -0.01 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 49.83 3i1n s ALA 70 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 3i1n s ALA 70 CO -0.07 0.04 1.17 0.96 0.00 0.00 0.00 175.76 177.86 3i1n s ILE 71 N -2.80 2.78 -0.22 0.00 -4.36 -1.26 -1.20 121.20 114.14 3i1n s ILE 71 Ca 0.30 0.43 -0.07 0.00 -0.26 0.00 0.00 60.65 61.05 3i1n s ILE 71 Cb 0.02 -3.05 -0.03 0.00 1.25 0.00 0.00 42.46 40.65 3i1n s ILE 71 CO 0.14 -0.16 0.06 0.12 0.24 0.00 0.00 174.94 175.33 3i1n s PHE 72 N -1.92 3.13 0.32 1.37 5.36 -0.67 -3.12 117.98 122.44 3i1n s PHE 72 Ca 0.73 -0.25 0.06 0.00 -0.96 0.00 0.00 56.93 56.51 3i1n s PHE 72 Cb -0.26 -2.16 0.53 0.00 -0.34 0.00 0.00 43.02 40.78 3i1n s PHE 72 CO 0.37 -0.17 1.77 -0.97 -1.46 0.00 0.00 175.22 174.77 3i1n h ASN 73 N 7.61 0.33 0.00 6.13 -1.24 -1.74 -3.45 115.58 123.22 3i1n h ASN 73 Ca -0.37 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.54 3i1n h ASN 73 Cb 1.18 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.14 3i1n h ASN 73 CO 0.62 0.60 0.00 0.00 -1.29 0.00 0.00 177.43 177.36 3i1n n ALA 74 N -2.48 0.00 0.00 1.57 0.00 -1.26 -4.27 120.51 114.07 3i1n n ALA 74 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1n n ALA 74 Cb 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i1n n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 75 N 0.90 1.95 -0.08 0.00 0.00 -1.26 -4.75 120.51 117.27 3i1n n ALA 75 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3i1n n ALA 75 Cb 0.35 0.34 -0.15 0.00 0.00 0.00 0.00 19.45 20.00 3i1n n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1n n THR 76 N -2.13 1.08 -0.82 0.00 -2.24 -1.26 -5.03 114.28 103.89 3i1n n THR 76 Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3i1n n THR 76 Cb 0.39 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3i1n n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1n n GLY 77 N 1.80 0.94 2.22 3.38 0.00 -1.26 -5.06 105.19 107.20 3i1n n GLY 77 Ca -0.26 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3i1n n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1n n LYS 78 N -1.68 0.55 -0.88 1.61 4.81 -1.26 -4.90 118.16 116.42 3i1n n LYS 78 Ca 0.00 -1.63 -0.34 0.00 -0.87 0.00 0.00 58.31 55.48 3i1n n LYS 78 Cb 0.15 1.72 0.11 0.00 0.02 0.00 0.00 35.03 37.03 3i1n n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1n n ALA 79 N -1.52 -2.60 -0.14 3.14 0.00 -1.26 -2.16 120.51 115.97 3i1n n ALA 79 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3i1n n ALA 79 Cb 0.37 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3i1n n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1n n ASP 80 N -0.89 0.00 -1.42 0.00 10.43 -1.18 -4.79 116.55 118.70 3i1n n ASP 80 Ca 0.07 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.49 3i1n n ASP 80 Cb 0.53 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.46 3i1n n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i1n n ARG 81 N 0.00 -3.58 -0.09 -1.24 1.74 -1.26 -3.14 116.66 109.08 3i1n n ARG 81 Ca 0.00 2.83 -0.15 0.00 -0.77 0.00 0.00 57.85 59.76 3i1n n ARG 81 Cb 0.00 -3.71 -0.08 0.00 -1.02 0.00 0.00 32.46 27.65 3i1n n ARG 81 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1n n VAL 82 N -3.15 1.06 -0.73 1.55 0.31 -1.26 -2.32 118.33 113.78 3i1n n VAL 82 Ca -0.03 -0.36 0.04 0.00 -0.01 0.00 0.00 64.34 63.98 3i1n n VAL 82 Cb 0.52 -1.35 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 3i1n n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1n n GLY 83 N 2.34 -0.70 3.32 2.92 0.00 -1.25 -2.08 105.19 109.74 3i1n n GLY 83 Ca -0.35 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 3i1n n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1n s PHE 84 N -3.81 1.58 0.39 1.61 0.40 -1.26 -2.94 117.98 113.96 3i1n s PHE 84 Ca 0.00 -1.41 0.00 0.00 -0.60 0.00 0.00 56.93 54.92 3i1n s PHE 84 Cb 0.00 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 3i1n s PHE 84 CO 0.00 -0.57 0.00 -2.13 0.70 0.00 0.00 175.22 173.22 3i1n n ARG 85 N -0.57 -4.63 0.00 0.44 3.00 -0.94 -4.94 116.66 109.02 3i1n n ARG 85 Ca 0.02 3.38 0.00 0.00 -0.00 0.00 0.00 57.85 61.24 3i1n n ARG 85 Cb 0.65 -3.74 0.00 0.00 0.00 0.00 0.00 32.46 29.36 3i1n n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i1n n PHE 86 N 0.03 0.00 0.00 -0.14 -0.00 -0.15 -4.93 117.46 112.27 3i1n n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1n n PHE 86 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i1n n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i1n n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.12 120.64 110.13 3i1n n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i1n n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i1n n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i1n n ASP 88 N -0.12 0.00 -0.01 -1.84 4.64 -1.26 -4.86 116.55 113.11 3i1n n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i1n n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i1n n ASP 88 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i1n n GLY 89 N 0.35 -1.11 3.82 0.27 0.00 -1.26 -5.03 105.19 102.24 3i1n n GLY 89 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3i1n n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 90 N -0.17 3.24 -0.01 1.61 -0.14 -1.26 -5.05 119.74 117.95 3i1n s LYS 90 Ca 0.00 -0.35 -0.17 0.00 -1.36 0.00 0.00 55.97 54.09 3i1n s LYS 90 Cb 0.00 -2.99 -0.10 0.00 -1.68 0.00 0.00 37.83 33.07 3i1n s LYS 90 CO 0.00 0.69 0.79 -0.22 -0.76 0.00 0.00 175.35 175.86 3i1n h LYS 91 N 4.36 -0.60 -0.34 1.68 3.64 -1.98 -3.38 116.57 119.95 3i1n h LYS 91 Ca -0.51 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i1n h LYS 91 Cb 1.20 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3i1n h LYS 91 CO 0.62 -0.40 -0.08 0.28 -2.27 0.00 0.00 179.45 177.60 3i1n n VAL 92 N -4.80 -1.40 -3.28 2.00 0.31 -1.26 -0.98 118.33 108.92 3i1n n VAL 92 Ca -0.08 0.22 -0.19 0.00 -0.01 0.00 0.00 64.34 64.28 3i1n n VAL 92 Cb 0.25 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3i1n n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1n s ARG 93 N -4.43 3.03 -0.26 5.55 0.52 -1.26 -2.21 118.95 119.90 3i1n s ARG 93 Ca 0.00 -0.96 -0.25 0.00 -0.52 0.00 0.00 55.73 53.99 3i1n s ARG 93 Cb 0.00 -2.76 0.07 0.00 0.52 0.00 0.00 34.95 32.78 3i1n s ARG 93 CO 0.00 -0.08 0.71 -0.59 0.02 0.00 0.00 175.30 175.37 3i1n s PHE 94 N -2.29 -0.78 0.45 -0.53 -0.12 -0.88 -2.08 117.98 111.75 3i1n s PHE 94 Ca 0.48 1.87 -0.25 0.00 -0.05 0.00 0.00 56.93 58.98 3i1n s PHE 94 Cb -0.10 0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 42.48 3i1n s PHE 94 CO 0.33 -0.39 1.43 1.19 -0.05 0.00 0.00 175.22 177.72 3i1n n PHE 95 N 2.58 2.68 -1.27 3.49 3.01 -1.26 -3.92 117.46 122.77 3i1n n PHE 95 Ca -0.14 0.44 -0.29 0.00 1.01 0.00 0.00 57.45 58.47 3i1n n PHE 95 Cb 0.55 -2.46 0.23 0.00 -0.01 0.00 0.00 39.48 37.79 3i1n n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i1n n LYS 96 N -0.15 -2.59 -3.70 -1.08 4.76 -0.98 -2.48 118.16 111.93 3i1n n LYS 96 Ca 0.05 -1.78 -0.25 0.00 -2.87 0.00 0.00 58.31 53.47 3i1n n LYS 96 Cb 0.41 -1.52 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3i1n n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3i1n n SER 97 N -4.55 -2.93 0.00 4.39 3.41 -1.26 -4.09 113.62 108.58 3i1n n SER 97 Ca 0.15 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3i1n n SER 97 Cb 0.57 -3.73 0.00 0.00 -0.26 0.00 0.00 64.21 60.79 3i1n n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i1n n ASN 98 N -2.92 0.00 -1.29 4.04 6.94 -1.26 -4.93 115.26 115.84 3i1n n ASN 98 Ca -0.21 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.19 3i1n n ASN 98 Cb 0.64 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.00 3i1n n ASN 98 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3i1n n SER 99 N 0.00 -4.92 0.11 0.53 2.88 -1.04 -4.88 113.62 106.31 3i1n n SER 99 Ca 0.00 0.35 0.01 0.00 -1.33 0.00 0.00 58.87 57.91 3i1n n SER 99 Cb 0.00 -3.85 0.35 0.00 -0.75 0.00 0.00 64.21 59.96 3i1n n SER 99 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3i1n h GLU 100 N 0.00 0.24 -1.78 -1.46 4.81 -1.88 -3.45 114.58 111.06 3i1n h GLU 100 Ca -0.33 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 3i1n h GLU 100 Cb 1.07 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3i1n h GLU 100 CO 0.48 0.43 -0.04 2.41 -0.73 0.00 0.00 179.01 181.56 3i1n n THR 101 N -4.22 -2.45 1.18 0.32 -1.04 -1.26 -4.95 114.28 101.85 3i1n n THR 101 Ca -0.01 0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.26 3i1n n THR 101 Cb 0.31 -2.79 0.25 0.00 -1.82 0.00 0.00 70.33 66.28 3i1n n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43