#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t s ALA 2 N 0.00 3.43 0.00 0.00 0.00 -1.26 -5.03 121.76 118.90 3i1t s ALA 2 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3i1t s ALA 2 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3i1t s ALA 2 CO 0.00 -0.35 0.00 1.63 0.00 0.00 0.00 175.76 177.04 3i1t n LYS 3 N 2.52 0.00 -0.69 0.00 5.02 -1.26 -4.89 118.16 118.86 3i1t n LYS 3 Ca 0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 3i1t n LYS 3 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.39 3i1t n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3i1t n ILE 4 N 0.00 0.00 0.00 -0.18 5.41 -1.26 -4.90 119.36 118.43 3i1t n ILE 4 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i1t n ILE 4 Cb 0.00 -0.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3i1t n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i1t n ARG 5 N 4.04 1.66 0.00 0.38 5.12 -1.26 -5.07 116.66 121.53 3i1t n ARG 5 Ca 0.30 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3i1t n ARG 5 Cb -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 3i1t n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1t n ARG 6 N 0.00 0.00 -1.65 5.56 0.63 -1.26 -4.81 116.66 115.13 3i1t n ARG 6 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 3i1t n ARG 6 Cb 0.00 -0.06 -0.04 0.00 0.45 0.00 0.00 32.46 32.82 3i1t n ARG 6 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i1t n ASP 7 N -0.04 3.72 0.00 6.15 10.43 -1.26 -4.72 116.55 130.84 3i1t n ASP 7 Ca 0.00 0.77 0.00 0.00 2.57 0.00 0.00 54.79 58.13 3i1t n ASP 7 Cb 0.00 -1.48 0.00 0.00 1.84 0.00 0.00 41.12 41.48 3i1t n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3i1t n ASP 8 N 8.18 0.00 -4.67 -2.24 -0.08 -1.26 -5.06 116.55 111.42 3i1t n ASP 8 Ca 0.24 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.09 3i1t n ASP 8 Cb 0.38 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.81 3i1t n ASP 8 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3i1t s GLU 9 N 0.00 4.27 0.25 -0.67 0.41 -1.26 -4.24 118.70 117.45 3i1t s GLU 9 Ca 0.00 1.79 0.10 0.00 -0.41 0.00 0.00 54.97 56.45 3i1t s GLU 9 Cb 0.00 -3.70 -0.04 0.00 -1.78 0.00 0.00 34.13 28.61 3i1t s GLU 9 CO 0.00 -0.63 -0.10 0.14 -0.49 0.00 0.00 175.26 174.18 3i1t s VAL 10 N 3.01 3.03 -0.07 2.63 -7.23 -1.17 -2.05 120.40 118.56 3i1t s VAL 10 Ca 0.59 -2.01 0.13 0.00 -1.81 0.00 0.00 61.98 58.88 3i1t s VAL 10 Cb -0.26 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 3i1t s VAL 10 CO 0.21 -0.31 1.06 -0.29 -0.31 0.00 0.00 175.10 175.46 3i1t h ILE 11 N 2.28 0.91 -4.36 -0.62 2.10 -1.66 -2.57 117.51 113.59 3i1t h ILE 11 Ca -0.44 -2.48 0.00 0.00 1.08 0.00 0.00 64.86 63.03 3i1t h ILE 11 Cb 1.24 2.38 -0.03 0.00 -1.09 0.00 0.00 36.82 39.32 3i1t h ILE 11 CO 0.58 0.52 -0.79 0.52 -1.08 0.00 0.00 178.15 177.90 3i1t n VAL 12 N -3.10 -8.91 -3.75 2.19 0.31 -1.26 -3.74 118.33 100.07 3i1t n VAL 12 Ca -0.06 1.43 -0.34 0.00 -0.01 0.00 0.00 64.34 65.37 3i1t n VAL 12 Cb 0.87 -5.78 -0.09 0.00 -0.91 0.00 0.00 33.84 27.93 3i1t n VAL 12 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3i1t s LEU 13 N -0.85 5.21 0.16 7.52 0.05 -1.21 -4.33 118.68 125.24 3i1t s LEU 13 Ca -0.07 -3.55 0.00 0.00 0.05 0.00 0.00 54.13 50.57 3i1t s LEU 13 Cb 0.00 -1.81 0.00 0.00 -2.05 0.00 0.00 46.19 42.34 3i1t s LEU 13 CO 0.52 -0.19 0.00 1.07 -0.55 0.00 0.00 176.35 177.19 3i1t n THR 14 N 2.51 0.00 -3.42 5.48 5.66 -1.26 -4.56 114.28 118.69 3i1t n THR 14 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 3i1t n THR 14 Cb 0.36 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 3i1t n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1t n GLY 15 N 0.22 -0.66 7.00 1.09 0.00 -1.26 -5.05 105.19 106.53 3i1t n GLY 15 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3i1t n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 16 N 0.00 0.00 -1.41 1.61 0.00 -1.26 -2.57 118.16 114.54 3i1t n LYS 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 3i1t n LYS 16 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 3i1t n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1t n ASP 17 N -3.69 0.31 -0.01 3.14 9.92 -1.26 -4.65 116.55 120.32 3i1t n ASP 17 Ca 0.00 -2.08 -0.01 0.00 -0.53 0.00 0.00 54.79 52.18 3i1t n ASP 17 Cb 0.00 -1.38 -0.00 0.00 -0.64 0.00 0.00 41.12 39.10 3i1t n ASP 17 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3i1t h LYS 18 N 10.95 0.00 -1.64 -1.24 3.64 -1.77 -3.39 116.57 123.12 3i1t h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1t h LYS 18 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3i1t h LYS 18 CO 1.02 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.61 3i1t n GLY 19 N 1.80 0.78 3.16 5.01 0.00 -1.26 -4.52 105.19 110.16 3i1t n GLY 19 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3i1t n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1t s LYS 20 N 0.65 0.99 0.57 1.61 0.00 -1.25 -5.08 119.74 117.24 3i1t s LYS 20 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 55.97 55.21 3i1t s LYS 20 Cb 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 37.83 36.87 3i1t s LYS 20 CO 0.00 0.25 0.79 -0.98 0.00 0.00 0.00 175.35 175.41 3i1t s ARG 21 N -1.19 2.32 0.00 1.78 1.70 -1.26 -4.15 118.95 118.16 3i1t s ARG 21 Ca 0.02 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3i1t s ARG 21 Cb -0.08 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.75 3i1t s ARG 21 CO 0.01 -0.85 0.00 0.41 -1.08 0.00 0.00 175.30 173.80 3i1t n GLY 22 N -2.34 0.87 3.59 3.88 0.00 -0.97 -4.84 105.19 105.39 3i1t n GLY 22 Ca 0.12 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 3i1t n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 23 N -0.11 -0.93 -3.68 1.61 4.76 -1.26 -3.01 118.16 115.53 3i1t n LYS 23 Ca 0.00 -0.22 -0.38 0.00 -2.87 0.00 0.00 58.31 54.85 3i1t n LYS 23 Cb 0.00 -2.27 -0.12 0.00 -1.84 0.00 0.00 35.03 30.80 3i1t n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i1t s VAL 24 N -2.56 4.60 0.07 -0.18 1.01 -1.26 -2.65 120.40 119.44 3i1t s VAL 24 Ca 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 3i1t s VAL 24 Cb -0.23 -3.26 -0.27 0.00 0.00 0.00 0.00 36.38 32.62 3i1t s VAL 24 CO 0.61 0.18 1.12 0.50 0.00 0.00 0.00 175.10 177.51 3i1t h LYS 25 N 8.32 0.21 -1.26 2.72 1.63 -1.69 -3.46 116.57 123.04 3i1t h LYS 25 Ca -0.35 -0.36 0.26 0.00 -0.85 0.00 0.00 60.65 59.35 3i1t h LYS 25 Cb 1.16 0.14 -0.22 0.00 -0.60 0.00 0.00 32.23 32.71 3i1t h LYS 25 CO 0.59 1.15 0.87 0.54 -3.45 0.00 0.00 179.45 179.15 3i1t s ASN 26 N -7.02 -0.10 0.09 4.20 2.20 -1.26 -5.13 114.94 107.93 3i1t s ASN 26 Ca -0.04 0.04 0.09 0.00 -0.94 0.00 0.00 52.86 52.01 3i1t s ASN 26 Cb 0.08 0.09 -0.04 0.00 -2.00 0.00 0.00 41.25 39.38 3i1t s ASN 26 CO 0.87 -0.13 -0.20 0.54 -2.94 0.00 0.00 177.10 175.23 3i1t s VAL 27 N -1.83 2.70 0.38 3.54 0.11 -1.26 -3.39 120.40 120.65 3i1t s VAL 27 Ca 0.09 -1.45 0.08 0.00 -2.93 0.00 0.00 61.98 57.77 3i1t s VAL 27 Cb -0.01 -2.19 -0.07 0.00 -1.53 0.00 0.00 36.38 32.57 3i1t s VAL 27 CO -0.05 0.18 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.11 3i1t s LEU 28 N -1.88 2.81 0.00 2.54 1.43 -1.16 -5.03 118.68 117.39 3i1t s LEU 28 Ca 0.16 -1.30 0.15 0.00 -1.03 0.00 0.00 54.13 52.11 3i1t s LEU 28 Cb -0.10 -0.93 0.34 0.00 0.03 0.00 0.00 46.19 45.53 3i1t s LEU 28 CO 0.08 -0.35 1.25 -1.54 0.23 0.00 0.00 176.35 176.02 3i1t n SER 29 N -0.89 3.01 -1.59 2.29 3.41 -1.26 -4.38 113.62 114.21 3i1t n SER 29 Ca -0.05 -1.90 -0.04 0.00 -0.26 0.00 0.00 58.87 56.62 3i1t n SER 29 Cb 0.66 -0.23 0.21 0.00 -0.26 0.00 0.00 64.21 64.59 3i1t n SER 29 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i1t n SER 30 N 0.89 3.92 0.00 4.04 7.64 -1.26 -4.82 113.62 124.04 3i1t n SER 30 Ca 0.14 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.22 3i1t n SER 30 Cb 0.46 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3i1t n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 31 N 0.02 0.32 3.55 0.23 0.00 -1.26 -4.99 105.19 103.05 3i1t n GLY 31 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3i1t n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t s LYS 32 N -0.80 2.63 0.00 1.61 -0.14 -1.26 -1.43 119.74 120.36 3i1t s LYS 32 Ca 0.00 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 53.99 3i1t s LYS 32 Cb 0.00 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 3i1t s LYS 32 CO 0.00 0.64 0.00 1.33 -0.76 0.00 0.00 175.35 176.56 3i1t n VAL 33 N 2.18 0.00 -3.53 3.17 0.24 -1.26 -2.96 118.33 116.16 3i1t n VAL 33 Ca -0.17 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3i1t n VAL 33 Cb 0.53 -0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 32.35 3i1t n VAL 33 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1t s ILE 34 N 2.03 -0.64 0.00 1.34 1.01 -1.22 -3.22 121.20 120.50 3i1t s ILE 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3i1t s ILE 34 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3i1t s ILE 34 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 174.94 175.46 3i1t n VAL 35 N 5.04 0.00 -3.73 2.92 0.31 -1.26 -3.20 118.33 118.41 3i1t n VAL 35 Ca -0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 3i1t n VAL 35 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.31 3i1t n VAL 35 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3i1t s GLU 36 N 4.64 1.21 -0.73 5.55 2.12 -1.08 -4.08 118.70 126.33 3i1t s GLU 36 Ca 0.00 -1.86 -0.02 0.00 0.36 0.00 0.00 54.97 53.45 3i1t s GLU 36 Cb 0.00 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.07 3i1t s GLU 36 CO 0.00 -1.12 0.62 0.41 -0.54 0.00 0.00 175.26 174.62 3i1t n GLY 37 N 3.77 0.01 0.01 -1.50 0.00 -1.26 -4.75 105.19 101.47 3i1t n GLY 37 Ca 0.07 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.01 3i1t n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1t n ILE 38 N -3.18 0.00 -0.07 -0.61 -0.00 -1.26 -4.74 119.36 109.49 3i1t n ILE 38 Ca -0.11 -0.28 -0.10 0.00 -0.00 0.00 0.00 62.75 62.26 3i1t n ILE 38 Cb 0.58 0.30 -0.06 0.00 -0.00 0.00 0.00 39.64 40.45 3i1t n ILE 38 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i1t n ASN 39 N -1.86 2.85 0.00 4.38 3.02 -1.26 -4.00 115.26 118.39 3i1t n ASN 39 Ca -0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3i1t n ASN 39 Cb 0.31 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i1t n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1t n LEU 40 N -2.94 0.00 0.00 3.41 -0.00 -1.26 -4.71 117.00 111.50 3i1t n LEU 40 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 3i1t n LEU 40 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 3i1t n LEU 40 CO 0.14 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.86 3i1t n VAL 41 N 0.00 0.00 -3.65 1.47 0.24 -1.19 -4.94 118.33 110.26 3i1t n VAL 41 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3i1t n VAL 41 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 3i1t n VAL 41 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i1t s LYS 42 N 4.39 0.17 -0.24 7.34 2.20 -1.26 -3.88 119.74 128.45 3i1t s LYS 42 Ca 0.00 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 3i1t s LYS 42 Cb 0.00 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.36 3i1t s LYS 42 CO 0.00 -0.29 -0.07 0.21 -0.36 0.00 0.00 175.35 174.84 3i1t s LYS 43 N 2.44 1.77 0.00 4.03 2.20 -0.64 -5.00 119.74 124.54 3i1t s LYS 43 Ca 0.01 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 3i1t s LYS 43 Cb -0.12 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 3i1t s LYS 43 CO -0.09 -0.59 1.99 0.72 -0.36 0.00 0.00 175.35 177.01 3i1t n HIS 44 N 4.62 0.00 -1.55 4.03 8.25 -1.26 -2.32 115.22 126.97 3i1t n HIS 44 Ca -0.12 -0.99 -0.48 0.00 -0.26 0.00 0.00 57.72 55.86 3i1t n HIS 44 Cb 0.44 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 3i1t n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i1t n GLN 45 N 1.49 1.01 -2.52 -0.41 1.13 -1.26 -4.92 117.38 111.90 3i1t n GLN 45 Ca 0.00 0.36 -0.33 0.00 -1.94 0.00 0.00 57.00 55.09 3i1t n GLN 45 Cb 0.50 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 3i1t n GLN 45 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i1t s LYS 46 N -0.73 3.88 0.00 -1.09 1.02 -1.26 -4.87 119.74 116.70 3i1t s LYS 46 Ca 0.69 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.87 3i1t s LYS 46 Cb -0.84 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 3i1t s LYS 46 CO 0.55 -0.34 0.00 -0.35 -0.92 0.00 0.00 175.35 174.29 3i1t n PRO 47 N -1.14 2.03 -3.62 -1.68 -0.04 -1.26 -5.11 135.00 124.18 3i1t n PRO 47 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 3i1t n PRO 47 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 3i1t n PRO 47 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i1t s VAL 48 N 0.53 -0.24 -2.00 0.52 0.11 -1.26 -5.02 120.40 113.04 3i1t s VAL 48 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3i1t s VAL 48 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1t s VAL 48 CO 0.00 0.00 0.18 -2.65 -3.33 0.00 0.00 175.10 169.30 3i1t n PRO 49 N 4.42 0.17 -3.74 1.54 -0.02 -1.26 -3.30 135.00 132.81 3i1t n PRO 49 Ca -0.17 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 3i1t n PRO 49 Cb 0.56 -1.00 -0.10 0.00 -0.02 0.00 0.00 33.50 32.93 3i1t n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1t s ALA 50 N -2.00 3.43 -1.10 3.55 0.00 -1.26 -4.76 121.76 119.63 3i1t s ALA 50 Ca 0.00 -3.02 -0.06 0.00 0.00 0.00 0.00 51.96 48.88 3i1t s ALA 50 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3i1t s ALA 50 CO 0.00 -2.00 0.91 1.28 0.00 0.00 0.00 175.76 175.95 3i1t n LEU 51 N 3.84 -4.95 -3.15 0.00 4.77 -1.26 -5.03 117.00 111.23 3i1t n LEU 51 Ca 0.04 -0.74 0.06 0.00 -0.03 0.00 0.00 56.01 55.35 3i1t n LEU 51 Cb 0.39 -3.08 -0.02 0.00 -2.33 0.00 0.00 43.42 38.38 3i1t n LEU 51 CO 0.34 0.20 0.72 0.21 -1.33 0.00 0.00 177.39 177.53 3i1t s ASN 52 N -3.60 -0.12 -0.65 -1.43 2.47 -1.21 -5.00 114.94 105.40 3i1t s ASN 52 Ca 0.36 0.06 0.06 0.00 0.42 0.00 0.00 52.86 53.77 3i1t s ASN 52 Cb -0.06 1.10 0.24 0.00 -1.45 0.00 0.00 41.25 41.08 3i1t s ASN 52 CO 0.76 -0.02 0.71 0.00 -3.72 0.00 0.00 177.10 174.83 3i1t n GLN 53 N 5.41 2.43 -0.02 0.43 6.02 -1.26 -4.07 117.38 126.32 3i1t n GLN 53 Ca -0.06 -4.65 -0.01 0.00 -0.01 0.00 0.00 57.00 52.28 3i1t n GLN 53 Cb 0.55 -2.26 -0.00 0.00 1.02 0.00 0.00 30.24 29.55 3i1t n GLN 53 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3i1t h PRO 54 N 4.34 0.00 -6.46 -1.09 0.13 -1.98 -3.48 132.00 123.47 3i1t h PRO 54 Ca 0.19 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.82 3i1t h PRO 54 Cb 0.67 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.69 3i1t h PRO 54 CO 0.82 0.00 -0.78 0.41 -0.23 0.00 0.00 178.00 178.22 3i1t n GLY 55 N 1.79 -0.48 2.73 1.56 0.00 -1.26 -4.93 105.19 104.60 3i1t n GLY 55 Ca -0.01 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3i1t n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1t s GLY 56 N -3.27 0.05 0.49 -0.02 0.00 -1.26 -5.14 107.32 98.17 3i1t s GLY 56 Ca 0.70 -0.99 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 3i1t s GLY 56 CO 0.86 2.66 0.87 0.29 0.00 0.00 0.00 173.10 177.78 3i1t n ILE 57 N 4.35 2.64 -2.96 0.90 -5.35 -1.26 -4.95 119.36 112.72 3i1t n ILE 57 Ca 0.10 -0.50 -0.30 0.00 -0.27 0.00 0.00 62.75 61.78 3i1t n ILE 57 Cb 0.44 -1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 37.30 3i1t n ILE 57 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3i1t s VAL 58 N -1.42 4.82 -0.04 7.28 1.01 -0.98 -4.97 120.40 126.10 3i1t s VAL 58 Ca 0.67 0.54 0.24 0.00 0.00 0.00 0.00 61.98 63.42 3i1t s VAL 58 Cb -0.51 -3.72 0.43 0.00 0.00 0.00 0.00 36.38 32.58 3i1t s VAL 58 CO 0.54 -0.46 1.17 1.21 0.00 0.00 0.00 175.10 177.56 3i1t n GLU 59 N -1.17 0.33 -2.74 2.72 0.00 -1.26 -1.62 120.64 116.90 3i1t n GLU 59 Ca 0.02 -2.27 -0.21 0.00 0.00 0.00 0.00 57.16 54.70 3i1t n GLU 59 Cb 0.54 -0.31 0.05 0.00 0.00 0.00 0.00 31.44 31.72 3i1t n GLU 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i1t s LYS 60 N -0.65 2.34 0.32 5.31 -0.14 -1.25 -4.31 119.74 121.35 3i1t s LYS 60 Ca 0.34 -1.06 -0.05 0.00 -1.36 0.00 0.00 55.97 53.84 3i1t s LYS 60 Cb 0.38 -2.51 0.08 0.00 -1.68 0.00 0.00 37.83 34.10 3i1t s LYS 60 CO -0.15 -0.85 0.27 -0.85 -0.76 0.00 0.00 175.35 173.02 3i1t n GLU 61 N -2.37 -1.67 0.00 1.68 0.00 -1.26 -3.18 120.64 113.83 3i1t n GLU 61 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.83 3i1t n GLU 61 Cb 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 31.44 31.62 3i1t n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t n ALA 62 N -3.50 0.00 -2.44 -1.84 0.00 -1.26 -4.69 120.51 106.79 3i1t n ALA 62 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 3i1t n ALA 62 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.49 3i1t n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t s ALA 63 N -1.25 2.42 -0.50 0.00 0.00 -1.26 -4.51 121.76 116.65 3i1t s ALA 63 Ca 0.00 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.38 3i1t s ALA 63 Cb 0.00 -0.28 0.21 0.00 0.00 0.00 0.00 23.12 23.05 3i1t s ALA 63 CO 0.00 0.35 0.78 1.51 0.00 0.00 0.00 175.76 178.40 3i1t n ILE 64 N 0.12 -0.05 -1.93 0.00 3.06 -1.20 -4.93 119.36 114.43 3i1t n ILE 64 Ca -0.11 -1.33 0.00 0.00 -2.50 0.00 0.00 62.75 58.81 3i1t n ILE 64 Cb 0.57 1.08 0.00 0.00 0.54 0.00 0.00 39.64 41.83 3i1t n ILE 64 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i1t n GLN 65 N 2.38 -4.97 0.14 9.51 1.13 -1.26 -4.53 117.38 119.78 3i1t n GLN 65 Ca 0.15 3.57 0.11 0.00 -1.94 0.00 0.00 57.00 58.89 3i1t n GLN 65 Cb 0.59 -3.97 0.05 0.00 0.11 0.00 0.00 30.24 27.01 3i1t n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3i1t h VAL 66 N 3.26 0.03 0.15 5.09 3.04 -1.55 -3.38 116.25 122.88 3i1t h VAL 66 Ca 0.00 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 3i1t h VAL 66 Cb 0.00 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3i1t h VAL 66 CO 0.00 0.01 -0.12 -1.28 -1.01 0.00 0.00 177.57 175.17 3i1t h SER 67 N 0.00 -0.33 -0.34 3.17 0.87 -1.89 -2.95 113.55 112.09 3i1t h SER 67 Ca -0.00 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.32 3i1t h SER 67 Cb 1.02 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.99 3i1t h SER 67 CO 0.00 -0.17 -0.06 0.59 -0.53 0.00 0.00 176.83 176.66 3i1t n ASN 68 N -3.01 5.70 -3.83 6.23 4.13 -1.26 -4.77 115.26 118.44 3i1t n ASN 68 Ca -0.03 -2.72 -0.17 0.00 1.68 0.00 0.00 54.58 53.34 3i1t n ASN 68 Cb 0.12 -1.30 -0.16 0.00 -1.54 0.00 0.00 39.78 36.90 3i1t n ASN 68 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i1t s VAL 69 N -0.31 0.19 0.10 2.41 1.01 -1.12 -3.30 120.40 119.39 3i1t s VAL 69 Ca 0.53 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.66 3i1t s VAL 69 Cb 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.37 3i1t s VAL 69 CO -0.06 0.14 -0.23 0.00 0.00 0.00 0.00 175.10 174.94 3i1t s ALA 70 N 0.88 1.99 0.02 5.51 0.00 -1.26 -4.97 121.76 123.92 3i1t s ALA 70 Ca -0.09 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 3i1t s ALA 70 Cb -0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3i1t s ALA 70 CO -0.01 0.42 0.70 0.96 0.00 0.00 0.00 175.76 177.83 3i1t s ILE 71 N -1.10 4.83 0.44 0.00 -4.36 -1.26 -1.99 121.20 117.76 3i1t s ILE 71 Ca 0.09 1.48 -0.22 0.00 -0.26 0.00 0.00 60.65 61.74 3i1t s ILE 71 Cb -0.10 -4.05 -0.09 0.00 1.25 0.00 0.00 42.46 39.47 3i1t s ILE 71 CO 0.05 0.37 1.02 0.12 0.24 0.00 0.00 174.94 176.74 3i1t s PHE 72 N 0.00 3.18 0.00 1.37 5.99 -0.87 -4.36 117.98 123.29 3i1t s PHE 72 Ca 0.36 1.62 0.00 0.00 0.00 0.00 0.00 56.93 58.91 3i1t s PHE 72 Cb -0.19 -3.05 0.00 0.00 0.00 0.00 0.00 43.02 39.78 3i1t s PHE 72 CO 0.20 -0.59 0.00 0.27 -0.00 0.00 0.00 175.22 175.10 3i1t n ASN 73 N -0.50 2.71 0.00 6.13 0.23 -1.25 -4.86 115.26 117.71 3i1t n ASN 73 Ca 0.07 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 3i1t n ASN 73 Cb 0.52 0.67 0.00 0.00 -2.08 0.00 0.00 39.78 38.88 3i1t n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1t n ALA 74 N -0.94 0.00 0.15 -2.53 0.00 -1.26 -4.52 120.51 111.42 3i1t n ALA 74 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3i1t n ALA 74 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 3i1t n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 75 N 0.00 2.09 0.00 0.00 0.00 -1.96 -2.18 119.26 117.21 3i1t h ALA 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1t h ALA 75 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i1t h ALA 75 CO 0.00 -0.32 -0.31 0.25 0.00 0.00 0.00 179.25 178.87 3i1t n THR 76 N -4.23 0.00 -1.98 0.00 -2.24 -1.26 -5.01 114.28 99.56 3i1t n THR 76 Ca 0.03 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3i1t n THR 76 Cb 0.34 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 3i1t n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 77 N 1.46 0.44 0.00 3.38 0.00 -0.82 -4.96 105.19 104.69 3i1t n GLY 77 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i1t n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 78 N -2.54 1.21 -4.23 1.61 5.02 -1.26 -4.90 118.16 113.07 3i1t n LYS 78 Ca -0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 3i1t n LYS 78 Cb 0.60 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.50 3i1t n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1t s ALA 79 N -2.00 1.45 0.00 7.82 0.00 -1.26 -3.84 121.76 123.93 3i1t s ALA 79 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3i1t s ALA 79 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3i1t s ALA 79 CO 0.00 0.14 0.00 -0.40 0.00 0.00 0.00 175.76 175.50 3i1t n ASP 80 N 0.75 0.00 -0.79 0.00 5.75 -1.26 -5.09 116.55 115.91 3i1t n ASP 80 Ca -0.17 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3i1t n ASP 80 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3i1t n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i1t n ARG 81 N 0.00 3.50 0.00 0.11 3.00 -1.26 -4.57 116.66 117.44 3i1t n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3i1t n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1t n ARG 81 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1t n VAL 82 N 0.00 0.00 0.00 1.55 0.24 -1.26 -4.28 118.33 114.57 3i1t n VAL 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1t n VAL 82 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i1t n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1t n GLY 83 N 0.00 3.01 3.32 7.63 0.00 -1.26 -2.50 105.19 115.40 3i1t n GLY 83 Ca 0.00 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 3i1t n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1t s PHE 84 N -1.05 2.97 -0.30 1.61 0.40 -1.25 -2.66 117.98 117.69 3i1t s PHE 84 Ca 0.00 -0.89 -0.16 0.00 -0.60 0.00 0.00 56.93 55.27 3i1t s PHE 84 Cb 0.00 -2.12 0.19 0.00 0.51 0.00 0.00 43.02 41.60 3i1t s PHE 84 CO 0.00 -0.53 1.16 0.50 0.70 0.00 0.00 175.22 177.05 3i1t s ARG 85 N 1.49 0.16 0.00 0.44 3.00 -0.06 -5.00 118.95 118.98 3i1t s ARG 85 Ca 0.06 0.30 0.00 0.00 -1.00 0.00 0.00 55.73 55.09 3i1t s ARG 85 Cb -0.14 0.08 0.00 0.00 0.00 0.00 0.00 34.95 34.89 3i1t s ARG 85 CO -0.03 -0.04 0.00 0.34 0.00 0.00 0.00 175.30 175.57 3i1t n PHE 86 N 3.69 0.00 -0.73 5.12 -0.00 -1.01 -4.68 117.46 119.86 3i1t n PHE 86 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 3i1t n PHE 86 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.04 3i1t n PHE 86 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 3i1t n GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.26 -5.10 120.64 110.15 3i1t n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i1t n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i1t n GLU 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i1t n ASP 88 N 0.00 0.00 0.00 -1.84 2.03 -1.26 -5.09 116.55 110.39 3i1t n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i1t n ASP 88 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3i1t n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1t n GLY 89 N 0.00 -1.83 3.51 0.27 0.00 -1.26 -4.83 105.19 101.05 3i1t n GLY 89 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3i1t n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1t n LYS 90 N -0.18 -0.54 -0.09 1.61 5.02 -1.26 -5.01 118.16 117.71 3i1t n LYS 90 Ca 0.00 -2.21 -0.08 0.00 -2.02 0.00 0.00 58.31 54.00 3i1t n LYS 90 Cb 0.00 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 33.97 3i1t n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1t n LYS 91 N -3.06 0.70 -1.08 1.97 5.02 -1.26 -4.36 118.16 116.10 3i1t n LYS 91 Ca 0.15 -0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 3i1t n LYS 91 Cb 0.53 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 3i1t n LYS 91 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3i1t n VAL 92 N -2.71 0.00 -4.13 -0.18 0.24 -1.26 -0.89 118.33 109.41 3i1t n VAL 92 Ca -0.30 0.18 -0.17 0.00 -2.04 0.00 0.00 64.34 62.00 3i1t n VAL 92 Cb 1.11 -0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 32.81 3i1t n VAL 92 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3i1t s ARG 93 N -2.58 0.55 -0.71 7.34 0.52 -1.24 -2.85 118.95 119.98 3i1t s ARG 93 Ca 0.00 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.14 3i1t s ARG 93 Cb 0.00 -0.58 0.22 0.00 0.52 0.00 0.00 34.95 35.11 3i1t s ARG 93 CO 0.00 0.00 0.70 1.97 0.02 0.00 0.00 175.30 178.00 3i1t n PHE 94 N 3.54 3.50 0.00 -0.53 -0.00 -1.09 -3.80 117.46 119.09 3i1t n PHE 94 Ca -0.20 -4.13 0.00 0.00 -0.00 0.00 0.00 57.45 53.12 3i1t n PHE 94 Cb 0.54 -0.68 0.00 0.00 -0.00 0.00 0.00 39.48 39.34 3i1t n PHE 94 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i1t n PHE 95 N 1.41 0.00 -0.40 2.97 3.01 -1.25 -3.92 117.46 119.28 3i1t n PHE 95 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.71 3i1t n PHE 95 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3i1t n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i1t n LYS 96 N 0.00 0.00 0.00 -1.08 5.02 -1.04 -1.67 118.16 119.39 3i1t n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1t n LYS 96 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 3i1t n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1t n SER 97 N 1.48 0.00 0.00 4.39 3.41 -1.25 -4.87 113.62 116.78 3i1t n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i1t n SER 97 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3i1t n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i1t n ASN 98 N 0.00 0.00 0.00 4.04 0.23 -0.67 -5.17 115.26 113.70 3i1t n ASN 98 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i1t n ASN 98 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i1t n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3i1t n SER 99 N 0.00 0.00 0.00 0.53 7.64 -1.26 -4.56 113.62 115.97 3i1t n SER 99 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i1t n SER 99 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3i1t n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1t n GLU 100 N 0.00 0.15 0.00 1.43 1.02 -1.26 -5.03 120.64 116.95 3i1t n GLU 100 Ca 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3i1t n GLU 100 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 3i1t n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3i1t n THR 101 N -0.05 0.00 -0.45 2.62 -1.04 -1.25 -5.10 114.28 109.01 3i1t n THR 101 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1t n THR 101 Cb 0.28 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 3i1t n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43