#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m s ASN 2 N 0.00 5.85 1.13 7.83 0.01 -1.26 -4.99 114.94 123.50 3i4m s ASN 2 Ca 0.00 -0.38 -0.18 0.00 -0.71 0.00 0.00 52.86 51.59 3i4m s ASN 2 Cb 0.00 -2.55 0.13 0.00 0.41 0.00 0.00 41.25 39.24 3i4m s ASN 2 CO 0.00 -2.04 0.16 0.52 -1.51 0.00 0.00 177.10 174.23 3i4m n VAL 3 N 6.84 0.00 0.00 1.60 0.31 -1.26 -5.02 118.33 120.80 3i4m n VAL 3 Ca 0.16 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3i4m n VAL 3 Cb 0.50 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 3i4m n VAL 3 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i4m n SER 4 N -2.14 0.00 -2.82 4.52 7.64 -1.26 -5.03 113.62 114.53 3i4m n SER 4 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 3i4m n SER 4 Cb 0.61 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 3i4m n SER 4 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3i4m n THR 5 N 0.00 -0.12 -1.30 0.44 -1.04 -1.26 -5.14 114.28 105.85 3i4m n THR 5 Ca 0.00 -1.90 -0.38 0.00 -2.04 0.00 0.00 64.05 59.73 3i4m n THR 5 Cb 0.00 0.91 0.03 0.00 -1.82 0.00 0.00 70.33 69.45 3i4m n THR 5 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i4m n SER 6 N 1.65 -2.63 -4.90 8.00 3.41 -1.26 -5.00 113.62 112.89 3i4m n SER 6 Ca 0.11 0.64 -0.20 0.00 -0.26 0.00 0.00 58.87 59.16 3i4m n SER 6 Cb 0.61 -1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 3i4m n SER 6 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3i4m s THR 7 N -1.90 2.98 -1.95 6.66 -1.32 -1.26 -5.02 115.64 113.84 3i4m s THR 7 Ca 0.61 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 3i4m s THR 7 Cb -0.44 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 3i4m s THR 7 CO 0.62 -0.04 0.76 2.22 -2.21 0.00 0.00 174.62 175.97 3i4m n PHE 8 N -1.57 0.00 -3.82 9.09 1.16 -1.26 -4.70 117.46 116.35 3i4m n PHE 8 Ca 0.03 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.34 3i4m n PHE 8 Cb 0.61 -0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.31 3i4m n PHE 8 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3i4m s GLN 9 N -1.95 1.05 -0.62 3.97 -2.07 -1.26 -4.77 119.66 114.02 3i4m s GLN 9 Ca 0.00 -0.41 -0.21 0.00 -1.82 0.00 0.00 55.36 52.92 3i4m s GLN 9 Cb 0.00 -1.90 0.08 0.00 -1.09 0.00 0.00 33.01 30.10 3i4m s GLN 9 CO 0.00 -0.49 0.83 -0.08 -1.32 0.00 0.00 175.29 174.23 3i4m s THR 10 N 1.75 4.58 -0.32 3.63 -1.32 -1.26 -5.02 115.64 117.68 3i4m s THR 10 Ca 0.01 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 3i4m s THR 10 Cb -0.16 -4.57 -0.03 0.00 -1.51 0.00 0.00 72.50 66.24 3i4m s THR 10 CO -0.07 -1.26 0.26 -0.60 -2.21 0.00 0.00 174.62 170.73 3i4m s ARG 11 N 3.35 3.67 -0.82 7.08 3.52 -1.26 -4.99 118.95 129.50 3i4m s ARG 11 Ca 0.17 -0.47 -0.24 0.00 -0.13 0.00 0.00 55.73 55.06 3i4m s ARG 11 Cb -0.20 -3.76 -0.17 0.00 -1.56 0.00 0.00 34.95 29.26 3i4m s ARG 11 CO 0.09 -0.37 2.37 0.54 -0.81 0.00 0.00 175.30 177.11 3i4m n ARG 12 N 5.15 0.47 -2.15 5.12 5.12 -1.26 -4.86 116.66 124.25 3i4m n ARG 12 Ca -0.12 -0.76 -0.30 0.00 -1.93 0.00 0.00 57.85 54.74 3i4m n ARG 12 Cb 0.50 -3.33 -0.05 0.00 -1.16 0.00 0.00 32.46 28.43 3i4m n ARG 12 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3i4m s ARG 13 N 8.64 2.76 -0.79 5.56 1.04 -1.26 -4.93 118.95 129.98 3i4m s ARG 13 Ca 0.98 -0.40 -0.17 0.00 -1.04 0.00 0.00 55.73 55.09 3i4m s ARG 13 Cb -0.23 -5.07 0.16 0.00 -2.04 0.00 0.00 34.95 27.76 3i4m s ARG 13 CO 0.15 -3.11 0.86 1.03 -0.04 0.00 0.00 175.30 174.19 3i4m s ARG 14 N 6.61 3.43 0.00 3.89 0.52 -1.26 -4.85 118.95 127.29 3i4m s ARG 14 Ca 0.65 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 3i4m s ARG 14 Cb -0.06 -4.54 0.00 0.00 0.52 0.00 0.00 34.95 30.87 3i4m s ARG 14 CO -0.01 -1.52 0.00 -0.11 0.02 0.00 0.00 175.30 173.68 3i4m n LEU 15 N 5.51 0.00 -4.14 2.53 -0.00 -1.26 -4.69 117.00 114.96 3i4m n LEU 15 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.83 3i4m n LEU 15 Cb 0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.77 3i4m n LEU 15 CO 0.46 0.00 1.28 2.29 -0.00 0.00 0.00 177.39 181.42 3i4m n LYS 16 N 0.00 0.18 0.10 1.96 2.85 -1.26 -4.68 118.16 117.31 3i4m n LYS 16 Ca 0.00 -1.48 0.11 0.00 -1.05 0.00 0.00 58.31 55.88 3i4m n LYS 16 Cb 0.00 -3.36 0.45 0.00 -0.65 0.00 0.00 35.03 31.47 3i4m n LYS 16 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3i4m n LYS 17 N 8.05 0.15 -1.68 -1.58 4.81 -1.26 -4.77 118.16 121.88 3i4m n LYS 17 Ca 0.44 0.38 -0.50 0.00 -0.87 0.00 0.00 58.31 57.75 3i4m n LYS 17 Cb 0.45 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.67 3i4m n LYS 17 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 3i4m n VAL 18 N -2.05 0.35 0.00 3.15 0.24 -1.26 -4.21 118.33 114.54 3i4m n VAL 18 Ca 0.03 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3i4m n VAL 18 Cb 0.22 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 3i4m n VAL 18 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i4m n GLU 19 N 5.30 0.00 -3.15 7.34 4.07 -1.26 -5.10 120.64 127.84 3i4m n GLU 19 Ca 0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 3i4m n GLU 19 Cb 0.24 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.62 3i4m n GLU 19 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i4m n GLU 20 N 0.00 -0.58 -0.19 5.31 1.02 -1.26 -4.92 120.64 120.02 3i4m n GLU 20 Ca 0.00 0.91 -0.08 0.00 -0.02 0.00 0.00 57.16 57.97 3i4m n GLU 20 Cb 0.00 -0.92 0.08 0.00 -0.02 0.00 0.00 31.44 30.58 3i4m n GLU 20 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3i4m n GLU 21 N 1.69 -1.08 -4.01 3.49 0.00 -1.26 -5.00 120.64 114.47 3i4m n GLU 21 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 57.16 56.46 3i4m n GLU 21 Cb 0.34 -0.67 -0.15 0.00 0.00 0.00 0.00 31.44 30.96 3i4m n GLU 21 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 3i4m s GLU 22 N -2.64 2.30 0.15 3.44 1.03 -1.26 -5.08 118.70 116.63 3i4m s GLU 22 Ca 0.17 -1.33 -0.34 0.00 0.03 0.00 0.00 54.97 53.51 3i4m s GLU 22 Cb -0.03 -2.99 -0.14 0.00 -0.80 0.00 0.00 34.13 30.17 3i4m s GLU 22 CO 0.14 -0.59 1.60 0.09 -1.33 0.00 0.00 175.26 175.18 3i4m n ASN 23 N 4.49 3.18 -3.61 0.83 3.02 -1.26 -4.84 115.26 117.08 3i4m n ASN 23 Ca -0.13 1.08 -0.14 0.00 -0.03 0.00 0.00 54.58 55.35 3i4m n ASN 23 Cb 0.42 -1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 3i4m n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m s ALA 24 N 1.10 -1.27 -1.22 5.41 0.00 -1.12 -4.97 121.76 119.68 3i4m s ALA 24 Ca 0.79 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3i4m s ALA 24 Cb -0.67 0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3i4m s ALA 24 CO 0.38 -0.42 0.35 0.00 0.00 0.00 0.00 175.76 176.06 3i4m n ALA 25 N 0.69 1.90 0.67 0.00 0.00 -1.26 -2.01 120.51 120.49 3i4m n ALA 25 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.26 3i4m n ALA 25 Cb 0.59 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.12 3i4m n ALA 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i4m n THR 26 N 0.06 0.53 -2.14 0.00 -1.04 -1.26 -4.20 114.28 106.23 3i4m n THR 26 Ca 0.00 -0.27 -0.18 0.00 -2.04 0.00 0.00 64.05 61.56 3i4m n THR 26 Cb 0.11 -0.44 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 3i4m n THR 26 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i4m n LEU 27 N 0.11 -1.57 -3.56 -4.42 4.77 -0.89 -4.86 117.00 106.59 3i4m n LEU 27 Ca 0.05 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.82 3i4m n LEU 27 Cb 0.42 -2.64 0.01 0.00 -2.33 0.00 0.00 43.42 38.89 3i4m n LEU 27 CO 0.06 -0.42 1.22 0.00 -1.33 0.00 0.00 177.39 176.93 3i4m n GLN 28 N -2.72 5.05 -1.53 3.23 1.13 -0.85 -5.02 117.38 116.68 3i4m n GLN 28 Ca -0.20 -4.69 -0.31 0.00 -1.94 0.00 0.00 57.00 49.86 3i4m n GLN 28 Cb 0.64 -2.44 0.07 0.00 0.11 0.00 0.00 30.24 28.62 3i4m n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3i4m s LEU 29 N -4.10 2.93 1.01 1.08 1.43 -1.26 -2.80 118.68 116.97 3i4m s LEU 29 Ca 0.40 1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 54.88 3i4m s LEU 29 Cb 0.19 -4.30 0.04 0.00 0.03 0.00 0.00 46.19 42.15 3i4m s LEU 29 CO -0.12 -1.69 0.14 0.61 0.23 0.00 0.00 176.35 175.52 3i4m n GLY 30 N -1.93 -2.37 0.26 -3.19 0.00 -1.26 -4.76 105.19 91.93 3i4m n GLY 30 Ca 0.07 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.44 3i4m n GLY 30 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i4m h GLN 31 N -1.68 0.00 0.00 1.61 4.15 -2.00 -0.11 115.11 117.07 3i4m h GLN 31 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3i4m h GLN 31 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3i4m h GLN 31 CO 0.35 0.08 0.00 -1.91 -1.93 0.00 0.00 178.83 175.42 3i4m n GLU 32 N -4.15 0.54 -2.95 1.69 4.07 -1.26 -3.17 120.64 115.41 3i4m n GLU 32 Ca -0.03 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 3i4m n GLU 32 Cb 0.17 -1.26 0.02 0.00 -0.06 0.00 0.00 31.44 30.30 3i4m n GLU 32 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3i4m n PHE 33 N -0.76 -0.47 -3.66 4.31 3.01 -0.05 -5.08 117.46 114.76 3i4m n PHE 33 Ca 0.07 -3.12 -0.29 0.00 1.01 0.00 0.00 57.45 55.12 3i4m n PHE 33 Cb 0.03 0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 39.64 3i4m n PHE 33 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3i4m s GLN 34 N -1.80 3.56 0.32 -1.08 -0.21 -1.19 -4.64 119.66 114.62 3i4m s GLN 34 Ca 0.32 -0.24 0.08 0.00 0.02 0.00 0.00 55.36 55.54 3i4m s GLN 34 Cb 0.36 -2.83 0.80 0.00 1.00 0.00 0.00 33.01 32.35 3i4m s GLN 34 CO -0.05 0.40 1.79 1.25 -2.12 0.00 0.00 175.29 176.56 3i4m h LEU 35 N 2.22 0.73 -6.43 2.90 5.85 -1.94 -2.82 115.31 115.81 3i4m h LEU 35 Ca -0.47 0.09 -0.79 0.00 0.84 0.00 0.00 57.88 57.55 3i4m h LEU 35 Cb 1.18 -0.04 -0.23 0.00 0.37 0.00 0.00 40.66 41.94 3i4m h LEU 35 CO 0.69 0.25 1.34 0.29 -0.34 0.00 0.00 178.44 180.67 3i4m n LYS 36 N -4.73 4.65 -2.49 1.25 5.02 -1.26 -2.08 118.16 118.52 3i4m n LYS 36 Ca 0.23 -4.24 -0.26 0.00 -2.02 0.00 0.00 58.31 52.02 3i4m n LYS 36 Cb 0.60 -2.59 0.02 0.00 -0.02 0.00 0.00 35.03 33.05 3i4m n LYS 36 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3i4m s GLN 37 N -2.46 3.02 -0.36 1.97 -2.07 -1.06 -4.93 119.66 113.76 3i4m s GLN 37 Ca 0.39 -0.03 -0.08 0.00 -1.82 0.00 0.00 55.36 53.82 3i4m s GLN 37 Cb 0.12 -2.32 0.04 0.00 -1.09 0.00 0.00 33.01 29.77 3i4m s GLN 37 CO -0.01 -0.59 0.14 0.42 -1.32 0.00 0.00 175.29 173.94 3i4m s ILE 38 N -2.91 4.00 0.17 3.63 1.01 -1.26 -2.28 121.20 123.55 3i4m s ILE 38 Ca 0.52 -1.11 -0.33 0.00 0.00 0.00 0.00 60.65 59.73 3i4m s ILE 38 Cb -0.10 -3.28 -0.16 0.00 0.01 0.00 0.00 42.46 38.93 3i4m s ILE 38 CO 0.44 -0.23 1.22 -3.20 0.00 0.00 0.00 174.94 173.17 3i4m n ASN 39 N 4.86 1.56 0.00 3.58 5.15 0.51 -4.74 115.26 126.19 3i4m n ASN 39 Ca -0.12 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 3i4m n ASN 39 Cb 0.45 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.46 3i4m n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4m n HIS 40 N 1.73 0.00 1.48 1.20 1.44 -1.26 0.11 115.22 119.92 3i4m n HIS 40 Ca 0.15 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.00 3i4m n HIS 40 Cb 0.24 -0.05 0.52 0.00 0.12 0.00 0.00 29.99 30.82 3i4m n HIS 40 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3i4m n GLN 41 N -0.96 1.54 0.00 -1.40 1.13 -1.26 -4.90 117.38 111.53 3i4m n GLN 41 Ca 0.00 -0.88 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3i4m n GLN 41 Cb 0.01 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.88 3i4m n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i4m n GLY 42 N 1.19 3.24 3.84 1.08 0.00 0.31 -5.04 105.19 109.82 3i4m n GLY 42 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3i4m n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4m s GLU 43 N -0.55 4.03 0.68 1.61 2.02 -1.21 -4.79 118.70 120.49 3i4m s GLU 43 Ca 0.00 0.94 -0.13 0.00 0.02 0.00 0.00 54.97 55.80 3i4m s GLU 43 Cb 0.00 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 32.04 3i4m s GLU 43 CO 0.00 -0.13 1.09 -1.21 0.02 0.00 0.00 175.26 175.03 3i4m s GLU 44 N -3.65 2.77 -0.28 1.61 2.02 -1.26 -0.36 118.70 119.55 3i4m s GLU 44 Ca 0.59 1.22 -0.18 0.00 0.02 0.00 0.00 54.97 56.62 3i4m s GLU 44 Cb -0.10 -1.96 0.11 0.00 0.10 0.00 0.00 34.13 32.29 3i4m s GLU 44 CO 0.24 -1.25 0.85 -2.00 0.02 0.00 0.00 175.26 173.12 3i4m s GLU 45 N -4.47 0.56 0.83 1.61 2.12 -0.96 -4.61 118.70 113.77 3i4m s GLU 45 Ca 0.63 0.89 -0.12 0.00 0.36 0.00 0.00 54.97 56.73 3i4m s GLU 45 Cb -0.18 0.15 0.10 0.00 0.26 0.00 0.00 34.13 34.46 3i4m s GLU 45 CO 0.47 -0.11 1.18 -2.00 -0.54 0.00 0.00 175.26 174.26 3i4m s GLU 46 N 1.24 1.54 1.09 4.30 2.12 -1.26 -3.24 118.70 124.49 3i4m s GLU 46 Ca -0.07 1.64 -0.21 0.00 0.36 0.00 0.00 54.97 56.69 3i4m s GLU 46 Cb -0.04 -1.78 0.02 0.00 0.26 0.00 0.00 34.13 32.59 3i4m s GLU 46 CO -0.14 -2.26 -0.44 -0.11 -0.54 0.00 0.00 175.26 171.77 3i4m n LEU 47 N -3.56 -2.53 -3.65 2.70 -0.00 -0.88 -4.86 117.00 104.22 3i4m n LEU 47 Ca 0.13 -0.09 -0.29 0.00 -0.00 0.00 0.00 56.01 55.76 3i4m n LEU 47 Cb 0.51 -0.83 -0.13 0.00 -0.00 0.00 0.00 43.42 42.98 3i4m n LEU 47 CO 0.49 -2.95 -0.26 -0.63 -0.00 0.00 0.00 177.39 174.04 3i4m s ILE 48 N -2.17 1.14 -0.25 1.96 -1.09 -1.26 -4.99 121.20 114.54 3i4m s ILE 48 Ca 0.50 -2.43 -0.19 0.00 -2.23 0.00 0.00 60.65 56.30 3i4m s ILE 48 Cb -0.06 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 3i4m s ILE 48 CO 0.66 -0.93 0.57 0.00 -1.23 0.00 0.00 174.94 174.01 3i4m s ALA 49 N 0.44 3.59 -0.12 9.38 0.00 -1.26 -5.05 121.76 128.74 3i4m s ALA 49 Ca 0.19 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 3i4m s ALA 49 Cb -0.22 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3i4m s ALA 49 CO -0.01 -0.73 -0.04 -0.51 0.00 0.00 0.00 175.76 174.47 3i4m s LEU 50 N 2.31 3.26 0.23 0.00 1.43 -1.26 -4.74 118.68 119.91 3i4m s LEU 50 Ca 0.24 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3i4m s LEU 50 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3i4m s LEU 50 CO 0.09 0.24 0.39 0.54 0.23 0.00 0.00 176.35 177.84 3i4m s ASN 51 N -0.08 6.34 0.93 2.29 2.20 -1.26 -4.81 114.94 120.55 3i4m s ASN 51 Ca 0.02 0.28 -0.19 0.00 -0.94 0.00 0.00 52.86 52.03 3i4m s ASN 51 Cb -0.13 -1.96 -0.15 0.00 -2.00 0.00 0.00 41.25 37.01 3i4m s ASN 51 CO 0.03 -0.08 -0.95 0.18 -2.94 0.00 0.00 177.10 173.34 3i4m n LEU 52 N -1.03 -4.86 0.00 3.54 4.77 -1.26 -1.10 117.00 117.06 3i4m n LEU 52 Ca -0.06 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i4m n LEU 52 Cb 0.55 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3i4m n LEU 52 CO 0.48 -4.74 0.00 -1.54 -1.33 0.00 0.00 177.39 170.26 3i4m n SER 53 N 3.26 0.00 -0.36 -1.43 3.41 -1.26 -3.91 113.62 113.34 3i4m n SER 53 Ca -0.02 0.00 0.30 0.00 -0.26 0.00 0.00 58.87 58.89 3i4m n SER 53 Cb 0.57 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.14 3i4m n SER 53 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i4m h GLU 54 N 0.00 0.19 0.16 4.33 4.81 -1.54 1.03 114.58 123.56 3i4m h GLU 54 Ca 0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 3i4m h GLU 54 Cb 0.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.35 3i4m h GLU 54 CO 0.00 0.13 -1.36 0.00 -0.73 0.00 0.00 179.01 177.05 3i4m h ALA 55 N 1.53 0.05 -1.02 2.92 0.00 -1.23 -3.22 119.26 118.29 3i4m h ALA 55 Ca 0.64 -0.97 0.24 0.00 0.00 0.00 0.00 54.91 54.82 3i4m h ALA 55 Cb 2.02 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 20.04 3i4m h ALA 55 CO -0.21 0.74 0.64 -0.09 0.00 0.00 0.00 179.25 180.32 3i4m h ARG 56 N -0.15 0.49 -0.14 0.00 2.43 0.57 0.10 114.38 117.67 3i4m h ARG 56 Ca -0.27 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3i4m h ARG 56 Cb 1.88 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3i4m h ARG 56 CO 0.14 0.32 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.80 3i4m h LEU 57 N 0.50 0.30 -0.46 3.80 3.38 -0.26 -1.64 115.31 120.94 3i4m h LEU 57 Ca 0.59 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 58.25 3i4m h LEU 57 Cb 1.31 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3i4m h LEU 57 CO -0.34 0.63 0.07 0.58 0.09 0.00 0.00 178.44 179.47 3i4m h VAL 58 N -0.03 0.73 0.00 1.22 2.07 -1.04 0.46 116.25 119.67 3i4m h VAL 58 Ca 0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3i4m h VAL 58 Cb 0.51 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3i4m h VAL 58 CO 0.02 0.04 0.00 -0.38 0.02 0.00 0.00 177.57 177.27 3i4m n ILE 59 N -5.13 0.00 -0.38 4.57 5.41 -0.47 -2.36 119.36 121.01 3i4m n ILE 59 Ca 0.04 1.48 0.30 0.00 1.00 0.00 0.00 62.75 65.57 3i4m n ILE 59 Cb 0.22 -2.48 0.57 0.00 -0.71 0.00 0.00 39.64 37.24 3i4m n ILE 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3i4m h LYS 60 N 0.00 0.21 0.00 0.38 3.64 -1.18 0.30 116.57 119.92 3i4m h LYS 60 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i4m h LYS 60 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3i4m h LYS 60 CO 0.00 0.14 0.00 -1.91 -2.27 0.00 0.00 179.45 175.41 3i4m n GLU 61 N -4.80 0.00 0.23 1.90 0.00 0.16 -1.52 120.64 116.61 3i4m n GLU 61 Ca 0.33 0.07 0.18 0.00 0.00 0.00 0.00 57.16 57.74 3i4m n GLU 61 Cb 1.18 -0.93 0.81 0.00 0.00 0.00 0.00 31.44 32.51 3i4m n GLU 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i4m h ALA 62 N -2.02 1.68 0.00 4.31 0.00 -1.26 0.39 119.26 122.36 3i4m h ALA 62 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3i4m h ALA 62 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i4m h ALA 62 CO 0.00 -0.43 -0.32 1.25 0.00 0.00 0.00 179.25 179.74 3i4m h LEU 63 N 0.00 0.00 0.02 0.00 7.12 -0.82 -0.74 115.31 120.89 3i4m h LEU 63 Ca 0.09 0.00 -0.40 0.00 0.13 0.00 0.00 57.88 57.70 3i4m h LEU 63 Cb 0.76 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.83 3i4m h LEU 63 CO -0.00 0.32 -2.39 0.52 -0.13 0.00 0.00 178.44 176.76 3i4m n VAL 64 N -3.67 1.54 0.28 1.05 0.31 0.11 -3.47 118.33 114.48 3i4m n VAL 64 Ca -0.01 -0.53 0.14 0.00 -0.01 0.00 0.00 64.34 63.92 3i4m n VAL 64 Cb 0.43 -1.56 0.73 0.00 -0.91 0.00 0.00 33.84 32.53 3i4m n VAL 64 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i4m h GLU 65 N -0.19 0.00 0.18 5.55 4.57 -0.67 0.98 114.58 125.00 3i4m h GLU 65 Ca -0.57 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.30 3i4m h GLU 65 Cb 1.85 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.46 3i4m h GLU 65 CO -0.13 0.00 -1.50 -0.09 -1.18 0.00 0.00 179.01 176.12 3i4m h ARG 66 N 0.00 0.38 0.00 1.92 2.43 -1.24 -3.30 114.38 114.56 3i4m h ARG 66 Ca 0.00 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3i4m h ARG 66 Cb 0.55 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3i4m h ARG 66 CO 0.00 1.31 0.07 -2.13 -1.51 0.00 0.00 179.97 177.71 3i4m n ARG 67 N -3.77 0.10 -0.09 0.20 0.63 0.34 -1.57 116.66 112.50 3i4m n ARG 67 Ca -0.22 0.59 -0.18 0.00 -0.92 0.00 0.00 57.85 57.12 3i4m n ARG 67 Cb 1.01 -1.92 -0.10 0.00 0.45 0.00 0.00 32.46 31.90 3i4m n ARG 67 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4m h ARG 68 N 0.00 0.00 0.00 -0.14 3.08 -1.58 -3.29 114.38 112.45 3i4m h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i4m h ARG 68 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3i4m h ARG 68 CO 0.00 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.76 3i4m h ALA 69 N -0.49 1.00 0.00 0.04 0.00 -1.54 0.66 119.26 118.92 3i4m h ALA 69 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i4m h ALA 69 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i4m h ALA 69 CO -0.15 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.29 3i4m n PHE 70 N -2.93 0.11 0.00 0.00 3.01 -0.61 -3.41 117.46 113.62 3i4m n PHE 70 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3i4m n PHE 70 Cb 0.10 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 3i4m n PHE 70 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3i4m n LYS 71 N -1.59 0.68 0.30 -1.08 5.02 0.19 -4.03 118.16 117.65 3i4m n LYS 71 Ca 0.05 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.50 3i4m n LYS 71 Cb 0.28 -0.96 0.92 0.00 -0.02 0.00 0.00 35.03 35.25 3i4m n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4m h ARG 72 N 0.00 0.00 0.00 1.97 3.08 -0.51 -1.36 114.38 117.56 3i4m h ARG 72 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3i4m h ARG 72 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i4m h ARG 72 CO 0.00 0.03 -2.06 -1.13 -1.07 0.00 0.00 179.97 175.74 3i4m n SER 73 N -3.63 0.30 0.00 7.04 3.41 -1.23 -4.08 113.62 115.42 3i4m n SER 73 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.62 3i4m n SER 73 Cb 0.12 1.62 0.22 0.00 -0.26 0.00 0.00 64.21 65.92 3i4m n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i4m n GLN 74 N -2.38 0.32 -0.04 4.33 6.02 -0.52 -2.19 117.38 122.93 3i4m n GLN 74 Ca -0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.79 3i4m n GLN 74 Cb 0.73 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.60 3i4m n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i4m n LYS 75 N -0.87 0.30 0.03 -1.09 5.02 -1.21 -5.06 118.16 115.30 3i4m n LYS 75 Ca 0.06 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 3i4m n LYS 75 Cb 0.03 -1.03 0.27 0.00 -0.02 0.00 0.00 35.03 34.28 3i4m n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4m n LYS 76 N -3.98 0.15 0.00 1.97 5.02 -0.93 -5.17 118.16 115.22 3i4m n LYS 76 Ca -0.12 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3i4m n LYS 76 Cb 0.37 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3i4m n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i4m n ASP 111 N -1.83 0.00 0.00 4.39 8.00 -1.26 -4.95 116.55 120.90 3i4m n ASP 111 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3i4m n ASP 111 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 3i4m n ASP 111 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i4m n ASP 112 N 0.00 0.00 -1.91 -2.24 3.85 -1.26 -5.03 116.55 109.96 3i4m n ASP 112 Ca 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3i4m n ASP 112 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3i4m n ASP 112 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3i4m n PHE 113 N 0.00 -0.77 -0.11 2.11 3.72 -1.26 -5.02 117.46 116.14 3i4m n PHE 113 Ca 0.00 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 3i4m n PHE 113 Cb 0.00 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.28 3i4m n PHE 113 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3i4m n MET 114 N -1.27 0.00 0.00 -1.08 2.81 -1.26 -5.08 117.12 111.23 3i4m n MET 114 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3i4m n MET 114 Cb 0.50 -0.11 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 3i4m n MET 114 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3i4m n HIS 115 N -0.72 0.00 -3.15 2.03 1.44 -1.26 -5.17 115.22 108.39 3i4m n HIS 115 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 3i4m n HIS 115 Cb 0.39 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.49 3i4m n HIS 115 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3i4m s SER 116 N 1.00 -0.40 0.00 4.39 1.04 -1.26 -5.13 113.70 113.33 3i4m s SER 116 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3i4m s SER 116 Cb 0.00 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.40 3i4m s SER 116 CO 0.00 -0.07 0.00 -1.84 0.98 0.00 0.00 173.24 172.31 3i4m n GLU 117 N 5.25 0.00 -0.85 4.02 0.28 -1.26 -4.88 120.64 123.20 3i4m n GLU 117 Ca 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.02 3i4m n GLU 117 Cb 0.56 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 3i4m n GLU 117 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3i4m n THR 118 N 0.00 0.00 0.00 3.84 -2.24 -1.26 -5.08 114.28 109.54 3i4m n THR 118 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3i4m n THR 118 Cb 0.00 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3i4m n THR 118 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i4m n ARG 119 N 0.11 0.00 -0.28 -0.78 0.63 -1.26 -1.68 116.66 113.41 3i4m n ARG 119 Ca -0.06 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 56.96 3i4m n ARG 119 Cb 0.74 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.88 3i4m n ARG 119 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3i4m h GLU 120 N 0.00 0.22 0.00 -0.14 4.81 -1.99 0.59 114.58 118.07 3i4m h GLU 120 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i4m h GLU 120 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3i4m h GLU 120 CO 0.00 0.15 0.07 0.87 -0.73 0.00 0.00 179.01 179.36 3i4m h LYS 121 N 0.23 0.00 0.18 1.92 1.57 -1.76 0.02 116.57 118.74 3i4m h LYS 121 Ca 0.48 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.91 3i4m h LYS 121 Cb 0.90 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.22 3i4m h LYS 121 CO -0.60 0.00 -1.77 1.49 -0.57 0.00 0.00 179.45 178.00 3i4m h GLU 122 N 0.00 0.39 -1.37 3.15 4.81 0.02 -2.94 114.58 118.63 3i4m h GLU 122 Ca 0.00 -0.66 0.40 0.00 -0.13 0.00 0.00 59.36 58.97 3i4m h GLU 122 Cb 0.14 0.25 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3i4m h GLU 122 CO 0.00 1.32 0.97 -0.07 -0.73 0.00 0.00 179.01 180.50 3i4m h LEU 123 N 0.11 0.07 0.11 1.64 3.38 -0.83 0.70 115.31 120.48 3i4m h LEU 123 Ca -0.35 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.42 3i4m h LEU 123 Cb 2.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.87 3i4m h LEU 123 CO 0.17 -0.01 -1.05 -0.08 0.09 0.00 0.00 178.44 177.56 3i4m h GLU 124 N 0.05 0.23 0.55 1.13 4.81 -1.61 -2.91 114.58 116.84 3i4m h GLU 124 Ca 0.68 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3i4m h GLU 124 Cb 2.58 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 32.09 3i4m h GLU 124 CO -0.07 1.19 -0.44 0.66 -0.73 0.00 0.00 179.01 179.61 3i4m h SER 125 N -0.43 -1.17 -0.64 1.04 4.64 0.46 -2.58 113.55 114.86 3i4m h SER 125 Ca -0.22 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3i4m h SER 125 Cb 1.62 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 64.04 3i4m h SER 125 CO 0.07 -0.62 0.41 0.40 -0.87 0.00 0.00 176.83 176.22 3i4m h ILE 126 N -0.96 1.11 -1.16 0.95 2.04 -0.98 -1.71 117.51 116.80 3i4m h ILE 126 Ca -0.07 -0.28 0.35 0.00 1.00 0.00 0.00 64.86 65.86 3i4m h ILE 126 Cb 0.80 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 36.99 3i4m h ILE 126 CO 0.01 0.15 0.73 -0.78 0.00 0.00 0.00 178.15 178.26 3i4m h ASP 127 N 0.81 0.36 0.19 1.72 -0.00 -1.30 0.94 116.42 119.15 3i4m h ASP 127 Ca 0.25 0.13 -0.01 0.00 -0.00 0.00 0.00 57.03 57.40 3i4m h ASP 127 Cb -0.02 0.09 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 3i4m h ASP 127 CO -0.09 -0.08 -0.09 0.58 -0.00 0.00 0.00 179.24 179.56 3i4m h VAL 128 N 0.24 0.50 -1.55 2.25 2.07 -0.93 -3.03 116.25 115.80 3i4m h VAL 128 Ca 0.72 -1.03 0.49 0.00 0.82 0.00 0.00 66.70 67.70 3i4m h VAL 128 Cb 2.02 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 32.54 3i4m h VAL 128 CO -0.41 0.14 1.05 0.25 0.02 0.00 0.00 177.57 178.63 3i4m h LEU 129 N -0.98 0.14 0.64 2.57 5.85 -0.53 0.93 115.31 123.93 3i4m h LEU 129 Ca -0.03 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3i4m h LEU 129 Cb 0.43 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.55 3i4m h LEU 129 CO 0.04 -0.14 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.63 3i4m h LEU 130 N 0.03 -0.73 0.00 2.25 3.38 -0.99 -2.75 115.31 116.51 3i4m h LEU 130 Ca 0.87 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.84 3i4m h LEU 130 Cb 3.03 0.19 0.00 0.00 0.09 0.00 0.00 40.66 43.97 3i4m h LEU 130 CO -0.28 -0.34 0.00 -0.62 0.09 0.00 0.00 178.44 177.29 3i4m n GLU 131 N -5.35 0.00 0.08 1.13 1.02 0.32 -0.45 120.64 117.38 3i4m n GLU 131 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3i4m n GLU 131 Cb 0.35 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3i4m n GLU 131 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3i4m n GLN 132 N -0.26 0.00 0.07 3.49 6.02 -1.17 -4.87 117.38 120.66 3i4m n GLN 132 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3i4m n GLN 132 Cb 0.00 -0.30 0.20 0.00 1.02 0.00 0.00 30.24 31.16 3i4m n GLN 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3i4m n THR 133 N -3.41 0.39 -2.10 5.09 -2.24 -0.93 -4.92 114.28 106.15 3i4m n THR 133 Ca 0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 3i4m n THR 133 Cb 0.04 -0.19 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 3i4m n THR 133 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i4m s THR 134 N -3.16 3.59 -1.26 4.28 2.01 0.40 -4.97 115.64 116.53 3i4m s THR 134 Ca 0.07 0.29 0.25 0.00 0.31 0.00 0.00 61.69 62.61 3i4m s THR 134 Cb 0.13 -3.48 0.35 0.00 0.01 0.00 0.00 72.50 69.52 3i4m s THR 134 CO 0.71 -0.57 1.84 0.61 -0.69 0.00 0.00 174.62 176.51 3i4m n GLY 135 N -2.82 -1.22 3.41 4.40 0.00 -1.26 -4.91 105.19 102.79 3i4m n GLY 135 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i4m n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4m n GLY 136 N 0.96 2.23 0.23 -0.02 0.00 -1.26 -4.40 105.19 102.93 3i4m n GLY 136 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i4m n GLY 136 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i4m n ASN 137 N 4.57 0.33 -1.87 1.61 2.04 -1.26 -4.09 115.26 116.59 3i4m n ASN 137 Ca 0.00 -1.45 -0.06 0.00 -0.44 0.00 0.00 54.58 52.63 3i4m n ASN 137 Cb 0.00 -0.16 -0.09 0.00 -2.53 0.00 0.00 39.78 36.99 3i4m n ASN 137 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3i4m n ASN 138 N -0.21 4.60 -0.24 0.53 2.85 -1.26 -4.69 115.26 116.84 3i4m n ASN 138 Ca 0.00 -2.31 0.06 0.00 -0.11 0.00 0.00 54.58 52.22 3i4m n ASN 138 Cb 0.08 -1.14 0.13 0.00 1.24 0.00 0.00 39.78 40.09 3i4m n ASN 138 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3i4m n LYS 139 N 2.18 -0.06 0.00 1.20 3.00 -1.26 -1.40 118.16 121.83 3i4m n LYS 139 Ca 0.23 1.05 0.00 0.00 -0.00 0.00 0.00 58.31 59.59 3i4m n LYS 139 Cb 0.66 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 34.10 3i4m n LYS 139 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i4m n ASP 140 N -5.04 0.00 -0.38 3.14 8.00 -1.26 -1.15 116.55 119.86 3i4m n ASP 140 Ca 0.13 0.94 0.33 0.00 0.71 0.00 0.00 54.79 56.90 3i4m n ASP 140 Cb 0.40 -0.44 0.58 0.00 -0.02 0.00 0.00 41.12 41.64 3i4m n ASP 140 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i4m n LEU 141 N -2.33 0.23 0.06 0.64 7.94 -0.49 0.12 117.00 123.17 3i4m n LEU 141 Ca 0.00 1.33 -0.11 0.00 -1.11 0.00 0.00 56.01 56.11 3i4m n LEU 141 Cb 0.00 -0.65 -0.08 0.00 0.53 0.00 0.00 43.42 43.22 3i4m n LEU 141 CO 0.00 -1.46 0.43 0.50 -1.11 0.00 0.00 177.39 175.75 3i4m h LYS 142 N 0.00 -0.22 0.00 1.96 3.64 -1.36 -2.26 116.57 118.33 3i4m h LYS 142 Ca 0.78 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 60.17 3i4m h LYS 142 Cb 2.36 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 34.23 3i4m h LYS 142 CO -0.51 0.21 -0.00 -0.91 -2.27 0.00 0.00 179.45 175.96 3i4m h ASN 143 N -0.83 0.00 1.33 4.20 2.35 0.24 0.14 115.58 123.01 3i4m h ASN 143 Ca -0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3i4m h ASN 143 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3i4m h ASN 143 CO 0.04 0.00 -0.69 0.74 -1.65 0.00 0.00 177.43 175.87 3i4m h THR 144 N 0.00 0.87 0.01 2.81 2.02 0.94 -2.91 112.91 116.66 3i4m h THR 144 Ca -0.00 -2.28 -0.05 0.00 0.77 0.00 0.00 66.41 64.85 3i4m h THR 144 Cb 0.11 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3i4m h THR 144 CO 0.00 0.50 -0.20 0.24 0.37 0.00 0.00 175.52 176.43 3i4m h MET 145 N 0.00 0.11 -0.66 6.66 2.86 -0.14 -0.79 114.93 122.97 3i4m h MET 145 Ca -0.03 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3i4m h MET 145 Cb 1.45 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 3i4m h MET 145 CO 0.07 0.94 0.41 1.96 1.06 0.00 0.00 176.91 181.34 3i4m h GLN 146 N -0.66 0.77 0.18 1.72 4.20 -1.46 1.47 115.11 121.33 3i4m h GLN 146 Ca -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3i4m h GLN 146 Cb 1.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3i4m h GLN 146 CO 0.04 0.51 -0.08 -0.92 -0.67 0.00 0.00 178.83 177.70 3i4m h TYR 147 N 0.79 -0.22 -1.06 2.96 3.20 -1.59 0.09 116.97 121.14 3i4m h TYR 147 Ca 0.27 -0.01 0.33 0.00 3.14 0.00 0.00 58.73 62.46 3i4m h TYR 147 Cb 0.04 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.25 3i4m h TYR 147 CO -0.05 -0.14 0.64 -0.07 -1.64 0.00 0.00 178.16 176.90 3i4m h LEU 148 N -0.24 0.47 -0.24 2.82 3.38 -0.82 0.90 115.31 121.60 3i4m h LEU 148 Ca -0.02 0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3i4m h LEU 148 Cb 0.18 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i4m h LEU 148 CO 0.04 -0.08 -0.90 0.00 0.09 0.00 0.00 178.44 177.58 3i4m h THR 149 N 0.32 1.47 0.12 0.22 1.03 0.22 -1.09 112.91 115.18 3i4m h THR 149 Ca 0.72 -2.57 -0.01 0.00 -0.01 0.00 0.00 66.41 64.54 3i4m h THR 149 Cb 1.76 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 71.30 3i4m h THR 149 CO -0.51 0.76 -0.06 0.78 -0.01 0.00 0.00 175.52 176.48 3i4m h ASN 150 N 0.15 -0.13 0.00 0.00 2.35 0.11 -3.32 115.58 114.73 3i4m h ASN 150 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i4m h ASN 150 Cb 1.54 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3i4m h ASN 150 CO 0.14 0.27 0.00 0.49 -1.65 0.00 0.00 177.43 176.68 3i4m n PHE 151 N -4.42 0.00 -1.82 1.19 3.01 0.10 -4.85 117.46 110.67 3i4m n PHE 151 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.07 3i4m n PHE 151 Cb 0.06 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.58 3i4m n PHE 151 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i4m s SER 152 N -1.36 4.99 -0.03 4.37 1.04 -0.41 -4.81 113.70 117.48 3i4m s SER 152 Ca 0.04 2.63 0.15 0.00 0.48 0.00 0.00 55.95 59.25 3i4m s SER 152 Cb 0.02 -2.62 -0.23 0.00 0.10 0.00 0.00 66.02 63.28 3i4m s SER 152 CO 0.03 -1.75 0.31 -1.14 0.98 0.00 0.00 173.24 171.67 3i4m n ARG 153 N -1.49 0.60 -3.35 4.02 0.63 -1.26 -4.80 116.66 111.01 3i4m n ARG 153 Ca 0.13 -0.13 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 3i4m n ARG 153 Cb 0.47 -1.37 -0.09 0.00 0.45 0.00 0.00 32.46 31.92 3i4m n ARG 153 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i4m n PHE 154 N -2.09 -0.93 -1.94 -0.14 3.01 -1.26 -3.75 117.46 110.36 3i4m n PHE 154 Ca -0.05 -3.29 -0.33 0.00 1.01 0.00 0.00 57.45 54.79 3i4m n PHE 154 Cb 0.47 0.21 -0.05 0.00 -0.01 0.00 0.00 39.48 40.09 3i4m n PHE 154 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3i4m n ARG 155 N 2.63 1.75 0.00 -1.08 1.74 -1.26 -4.59 116.66 115.84 3i4m n ARG 155 Ca 0.28 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.93 3i4m n ARG 155 Cb 0.49 -3.55 0.00 0.00 -1.02 0.00 0.00 32.46 28.38 3i4m n ARG 155 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i4m n ASP 156 N 12.45 0.00 0.00 0.55 -0.08 -1.26 -4.80 116.55 123.41 3i4m n ASP 156 Ca 0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 3i4m n ASP 156 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 3i4m n ASP 156 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3i4m n GLN 157 N 0.00 0.00 -0.21 -0.67 -0.06 -1.26 -1.93 117.38 113.25 3i4m n GLN 157 Ca 0.00 0.39 -0.05 0.00 -2.00 0.00 0.00 57.00 55.33 3i4m n GLN 157 Cb 0.00 -1.19 -0.05 0.00 -4.06 0.00 0.00 30.24 24.94 3i4m n GLN 157 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3i4m n GLU 158 N -1.34 -0.22 -0.28 3.69 1.02 -1.26 0.11 120.64 122.36 3i4m n GLU 158 Ca 0.00 0.86 0.10 0.00 -0.02 0.00 0.00 57.16 58.10 3i4m n GLU 158 Cb 0.00 -1.27 0.25 0.00 -0.02 0.00 0.00 31.44 30.39 3i4m n GLU 158 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3i4m h THR 159 N 0.00 0.37 -0.43 2.62 1.35 -1.92 0.16 112.91 115.06 3i4m h THR 159 Ca 0.08 -0.07 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 3i4m h THR 159 Cb 0.20 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 3i4m h THR 159 CO -0.47 0.04 -0.03 0.58 -0.25 0.00 0.00 175.52 175.39 3i4m h VAL 160 N 0.22 1.24 -0.37 6.82 2.07 0.15 -1.11 116.25 125.26 3i4m h VAL 160 Ca 0.50 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3i4m h VAL 160 Cb 0.96 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3i4m h VAL 160 CO -0.62 0.35 -0.22 1.23 0.02 0.00 0.00 177.57 178.33 3i4m h GLY 161 N 0.95 0.79 0.60 2.17 0.00 0.34 -2.22 103.07 105.71 3i4m h GLY 161 Ca 0.13 -0.66 0.02 0.00 0.00 0.00 0.00 47.33 46.82 3i4m h GLY 161 CO 0.02 0.61 -0.20 0.00 0.00 0.00 0.00 176.54 176.97 3i4m h ALA 162 N 1.12 -0.30 -0.03 3.60 0.00 -0.13 1.00 119.26 124.52 3i4m h ALA 162 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i4m h ALA 162 Cb 0.71 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3i4m h ALA 162 CO 0.05 -0.71 -0.53 0.28 0.00 0.00 0.00 179.25 178.34 3i4m h VAL 163 N -0.35 0.00 -0.30 0.00 2.07 -1.05 -1.98 116.25 114.64 3i4m h VAL 163 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3i4m h VAL 163 Cb 0.39 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 3i4m h VAL 163 CO -0.14 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 177.36 3i4m h ILE 164 N -0.65 0.06 -0.97 4.57 2.04 -0.98 0.13 117.51 121.71 3i4m h ILE 164 Ca 0.02 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.18 3i4m h ILE 164 Cb 0.71 0.06 -0.15 0.00 -0.74 0.00 0.00 36.82 36.69 3i4m h ILE 164 CO -0.37 0.00 0.46 1.56 0.00 0.00 0.00 178.15 179.80 3i4m h GLN 165 N -0.43 0.24 0.00 2.37 4.20 -0.45 0.36 115.11 121.40 3i4m h GLN 165 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3i4m h GLN 165 Cb 0.62 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3i4m h GLN 165 CO -0.52 0.16 0.00 -0.11 -0.67 0.00 0.00 178.83 177.69 3i4m n LEU 166 N -5.14 0.16 0.11 1.46 7.94 0.21 -4.33 117.00 117.42 3i4m n LEU 166 Ca 0.29 0.75 -0.08 0.00 -1.11 0.00 0.00 56.01 55.86 3i4m n LEU 166 Cb 0.93 -0.43 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 3i4m n LEU 166 CO 0.07 -0.43 0.51 -0.07 -1.11 0.00 0.00 177.39 176.36 3i4m h LEU 167 N 0.00 -0.68 -8.23 -1.96 3.38 -0.32 -3.33 115.31 104.16 3i4m h LEU 167 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3i4m h LEU 167 Cb 0.00 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i4m h LEU 167 CO 0.00 -0.29 0.06 -0.54 0.09 0.00 0.00 178.44 177.75 3i4m s LYS 168 N -4.31 1.44 0.00 1.13 1.02 0.12 -2.65 119.74 116.49 3i4m s LYS 168 Ca -0.08 0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.99 3i4m s LYS 168 Cb 0.02 -4.87 0.00 0.00 -0.52 0.00 0.00 37.83 32.46 3i4m s LYS 168 CO 0.28 -4.88 0.00 -1.13 -0.92 0.00 0.00 175.35 168.70 3i4m n SER 169 N 19.02 0.00 0.00 2.83 3.41 -1.25 -4.67 113.62 132.95 3i4m n SER 169 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3i4m n SER 169 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3i4m n SER 169 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i4m n THR 170 N 0.00 0.14 0.00 6.66 -1.04 -1.09 -4.95 114.28 114.00 3i4m n THR 170 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3i4m n THR 170 Cb 0.00 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 3i4m n THR 170 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i4m n GLY 171 N -0.07 0.98 3.72 3.41 0.00 -1.26 -4.88 105.19 107.08 3i4m n GLY 171 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i4m n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i4m n LEU 172 N 0.00 3.90 -4.67 0.99 4.77 -1.26 -4.93 117.00 115.80 3i4m n LEU 172 Ca 0.00 1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 56.79 3i4m n LEU 172 Cb 0.00 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 39.62 3i4m n LEU 172 CO 0.00 -0.19 0.71 1.57 -1.33 0.00 0.00 177.39 178.15 3i4m n HIS 173 N 1.23 1.33 -0.24 -1.77 -0.00 -1.26 -4.68 115.22 109.82 3i4m n HIS 173 Ca 0.07 0.43 0.01 0.00 -0.00 0.00 0.00 57.72 58.23 3i4m n HIS 173 Cb 0.36 -2.20 0.14 0.00 -0.00 0.00 0.00 29.99 28.28 3i4m n HIS 173 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i4m h PRO 174 N 0.48 0.57 -0.76 1.57 0.11 -1.94 -0.57 132.00 131.47 3i4m h PRO 174 Ca -0.50 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 65.76 3i4m h PRO 174 Cb 1.35 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3i4m h PRO 174 CO 0.52 0.38 0.52 0.35 -0.21 0.00 0.00 178.00 179.55 3i4m h PHE 175 N 0.59 0.28 0.00 0.65 3.57 -1.93 0.53 116.94 120.63 3i4m h PHE 175 Ca 0.35 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3i4m h PHE 175 Cb 0.37 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3i4m h PHE 175 CO -0.11 0.09 -0.00 0.93 -2.23 0.00 0.00 178.31 176.99 3i4m h GLU 176 N 0.23 -0.00 -1.21 1.11 5.08 -1.67 -2.11 114.58 116.00 3i4m h GLU 176 Ca 0.37 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 59.08 3i4m h GLU 176 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3i4m h GLU 176 CO -0.08 0.54 1.08 0.28 -1.00 0.00 0.00 179.01 179.83 3i4m h VAL 177 N -1.00 0.14 0.00 3.13 2.07 0.43 0.45 116.25 121.47 3i4m h VAL 177 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i4m h VAL 177 Cb 0.54 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3i4m h VAL 177 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3i4m h ALA 178 N 0.98 0.00 -0.81 1.67 0.00 -0.00 -3.12 119.26 117.98 3i4m h ALA 178 Ca 0.57 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.60 3i4m h ALA 178 Cb 2.72 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 20.38 3i4m h ALA 178 CO -0.01 0.01 -0.37 1.96 0.00 0.00 0.00 179.25 180.84 3i4m h GLN 179 N -0.25 -0.07 -0.68 0.00 1.08 0.01 1.24 115.11 116.44 3i4m h GLN 179 Ca 0.00 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 3i4m h GLN 179 Cb 0.01 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3i4m h GLN 179 CO 0.00 -0.05 0.46 -0.07 -0.95 0.00 0.00 178.83 178.22 3i4m h LEU 180 N -0.08 0.27 0.39 1.46 3.38 -0.43 0.39 115.31 120.69 3i4m h LEU 180 Ca 0.29 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3i4m h LEU 180 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i4m h LEU 180 CO -0.85 0.14 -0.19 1.23 0.09 0.00 0.00 178.44 178.87 3i4m h GLY 181 N 0.29 -0.54 0.47 0.83 0.00 0.15 -3.36 103.07 100.91 3i4m h GLY 181 Ca 0.33 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3i4m h GLY 181 CO -0.08 -0.20 -0.01 -1.14 0.00 0.00 0.00 176.54 175.11 3i4m n SER 182 N -4.91 0.60 -4.16 0.19 3.41 -0.19 -4.70 113.62 103.85 3i4m n SER 182 Ca -0.06 -1.11 -0.37 0.00 -0.26 0.00 0.00 58.87 57.06 3i4m n SER 182 Cb 0.21 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 3i4m n SER 182 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i4m s LEU 183 N -2.07 5.00 0.17 1.04 1.43 0.13 -4.86 118.68 119.53 3i4m s LEU 183 Ca 0.42 -1.80 -0.33 0.00 -1.03 0.00 0.00 54.13 51.38 3i4m s LEU 183 Cb 0.21 -1.84 -0.15 0.00 0.03 0.00 0.00 46.19 44.44 3i4m s LEU 183 CO 0.37 -0.49 1.27 0.00 0.23 0.00 0.00 176.35 177.73 3i4m n ALA 184 N 4.66 -0.30 -2.89 4.21 0.00 -1.26 -4.76 120.51 120.17 3i4m n ALA 184 Ca -0.06 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 3i4m n ALA 184 Cb 0.42 -2.11 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 3i4m n ALA 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i4m n ASP 186 N 0.82 0.00 -4.89 0.00 8.00 -1.26 -4.86 116.55 114.36 3i4m n ASP 186 Ca -0.19 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.01 3i4m n ASP 186 Cb 0.58 -0.05 0.04 0.00 -0.02 0.00 0.00 41.12 41.67 3i4m n ASP 186 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i4m s THR 187 N -0.70 3.54 0.19 -3.53 2.01 -1.26 -4.87 115.64 111.02 3i4m s THR 187 Ca 0.00 0.35 0.26 0.00 0.31 0.00 0.00 61.69 62.61 3i4m s THR 187 Cb 0.00 -3.47 0.26 0.00 0.01 0.00 0.00 72.50 69.30 3i4m s THR 187 CO 0.00 -0.59 1.90 0.00 -0.69 0.00 0.00 174.62 175.24 3i4m h ALA 188 N -0.52 1.07 0.11 7.40 0.00 -1.94 -0.01 119.26 125.36 3i4m h ALA 188 Ca -0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3i4m h ALA 188 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3i4m h ALA 188 CO 0.63 0.23 -0.05 0.22 0.00 0.00 0.00 179.25 180.28 3i4m h ASP 189 N 0.00 -0.12 -0.38 0.00 1.82 -1.96 0.76 116.42 116.54 3i4m h ASP 189 Ca -0.00 -0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 3i4m h ASP 189 Cb 0.64 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 3i4m h ASP 189 CO 0.02 0.25 0.15 -0.08 -1.61 0.00 0.00 179.24 177.97 3i4m h GLU 190 N -0.51 0.64 0.00 0.28 4.81 -1.79 -1.63 114.58 116.38 3i4m h GLU 190 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3i4m h GLU 190 Cb 0.41 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3i4m h GLU 190 CO 0.02 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3i4m n ALA 191 N -2.47 -0.00 0.01 2.92 0.00 -0.07 -2.33 120.51 118.58 3i4m n ALA 191 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i4m n ALA 191 Cb 0.17 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.64 3i4m n ALA 191 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i4m n LYS 192 N -0.51 0.01 -0.11 0.00 4.76 0.26 -1.13 118.16 121.44 3i4m n LYS 192 Ca 0.00 0.19 -0.20 0.00 -2.87 0.00 0.00 58.31 55.43 3i4m n LYS 192 Cb 0.00 -1.87 -0.10 0.00 -1.84 0.00 0.00 35.03 31.22 3i4m n LYS 192 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3i4m n THR 193 N -1.23 1.52 0.38 -0.18 -1.04 -0.61 -3.07 114.28 110.04 3i4m n THR 193 Ca -0.00 -0.05 0.14 0.00 -2.04 0.00 0.00 64.05 62.10 3i4m n THR 193 Cb 0.35 -2.07 0.47 0.00 -1.82 0.00 0.00 70.33 67.26 3i4m n THR 193 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i4m h LEU 194 N -1.00 0.00 -5.75 -4.42 3.38 -0.77 -3.22 115.31 103.52 3i4m h LEU 194 Ca -0.35 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.06 3i4m h LEU 194 Cb 1.24 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.58 3i4m h LEU 194 CO -0.21 0.00 -0.86 -0.38 0.09 0.00 0.00 178.44 177.08 3i4m n ILE 195 N -2.63 1.50 -0.28 1.22 5.41 -0.29 -4.97 119.36 119.31 3i4m n ILE 195 Ca 0.03 -5.02 -0.04 0.00 1.00 0.00 0.00 62.75 58.72 3i4m n ILE 195 Cb 0.35 -1.26 0.01 0.00 -0.71 0.00 0.00 39.64 38.03 3i4m n ILE 195 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3i4m h PRO 196 N 3.33 -0.10 -0.68 0.38 0.13 -1.55 -1.76 132.00 131.76 3i4m h PRO 196 Ca 0.13 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.54 3i4m h PRO 196 Cb 0.72 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.75 3i4m h PRO 196 CO 0.68 -0.06 0.35 -1.13 -0.23 0.00 0.00 178.00 177.61 3i4m n SER 197 N -5.44 0.22 0.00 1.44 3.41 -1.26 -2.51 113.62 109.48 3i4m n SER 197 Ca 0.06 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 3i4m n SER 197 Cb 0.37 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3i4m n SER 197 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i4m n LEU 198 N -4.54 0.00 0.00 1.04 4.77 -0.66 -4.65 117.00 112.95 3i4m n LEU 198 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3i4m n LEU 198 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3i4m n LEU 198 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65 3i4m n ASN 199 N 0.00 0.00 -0.30 -1.43 3.02 -1.04 -0.96 115.26 114.54 3i4m n ASN 199 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.74 3i4m n ASN 199 Cb 0.00 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.62 3i4m n ASN 199 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3i4m h ASN 200 N 0.00 0.53 0.00 6.41 2.35 -1.88 -3.29 115.58 119.70 3i4m h ASN 200 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3i4m h ASN 200 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3i4m h ASN 200 CO 0.00 0.17 0.00 0.29 -1.65 0.00 0.00 177.43 176.24 3i4m n LYS 201 N -4.63 0.00 -4.18 0.81 5.02 -0.13 -4.59 118.16 110.46 3i4m n LYS 201 Ca 0.23 0.28 -0.36 0.00 -2.02 0.00 0.00 58.31 56.44 3i4m n LYS 201 Cb 0.73 -0.77 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 3i4m n LYS 201 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3i4m s ILE 202 N -0.58 4.77 1.15 -0.18 2.07 -1.24 -5.10 121.20 122.10 3i4m s ILE 202 Ca 0.00 -0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.00 3i4m s ILE 202 Cb 0.00 -3.04 0.21 0.00 0.13 0.00 0.00 42.46 39.76 3i4m s ILE 202 CO 0.00 0.61 0.40 -1.54 -1.91 0.00 0.00 174.94 172.50 3i4m n SER 203 N 2.09 -3.00 -0.06 4.50 3.41 -1.26 -4.78 113.62 114.53 3i4m n SER 203 Ca -0.19 -0.41 -0.08 0.00 -0.26 0.00 0.00 58.87 57.93 3i4m n SER 203 Cb 0.54 -0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 3i4m n SER 203 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i4m h ASP 204 N -2.74 -0.01 0.10 4.04 3.32 -1.98 -3.01 116.42 116.14 3i4m h ASP 204 Ca -0.39 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.11 3i4m h ASP 204 Cb 1.09 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3i4m h ASP 204 CO 0.26 0.78 -0.19 0.44 -1.72 0.00 0.00 179.24 178.81 3i4m h ASP 205 N -1.00 -0.54 -0.15 6.45 3.32 -1.97 0.73 116.42 123.27 3i4m h ASP 205 Ca -0.00 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3i4m h ASP 205 Cb 0.58 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 3i4m h ASP 205 CO 0.00 -0.27 -0.41 -0.08 -1.72 0.00 0.00 179.24 176.76 3i4m h GLU 206 N -0.36 -0.39 -0.89 3.56 4.22 -1.95 0.81 114.58 119.58 3i4m h GLU 206 Ca 0.03 0.03 0.12 0.00 0.08 0.00 0.00 59.36 59.62 3i4m h GLU 206 Cb 0.39 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 3i4m h GLU 206 CO -0.11 -0.26 0.57 1.25 -2.18 0.00 0.00 179.01 178.28 3i4m h LEU 207 N -0.40 0.72 -0.59 1.64 6.46 -1.37 0.44 115.31 122.20 3i4m h LEU 207 Ca 0.03 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3i4m h LEU 207 Cb 0.49 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3i4m h LEU 207 CO -0.36 0.39 0.39 -0.08 -0.62 0.00 0.00 178.44 178.16 3i4m h GLU 208 N 0.77 0.78 0.00 1.25 4.57 0.32 -0.30 114.58 121.98 3i4m h GLU 208 Ca 0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3i4m h GLU 208 Cb 0.59 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3i4m h GLU 208 CO -0.20 0.53 0.00 0.54 -1.18 0.00 0.00 179.01 178.70 3i4m n ARG 209 N -4.66 0.00 -0.33 1.92 1.74 0.25 -2.14 116.66 113.44 3i4m n ARG 209 Ca 0.04 0.64 0.13 0.00 -0.77 0.00 0.00 57.85 57.89 3i4m n ARG 209 Cb 0.02 -1.48 0.25 0.00 -1.02 0.00 0.00 32.46 30.24 3i4m n ARG 209 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i4m n ILE 210 N -2.24 -0.40 0.05 0.55 5.41 -0.84 -0.00 119.36 121.89 3i4m n ILE 210 Ca 0.00 2.09 -0.16 0.00 1.00 0.00 0.00 62.75 65.69 3i4m n ILE 210 Cb 0.00 -3.03 -0.10 0.00 -0.71 0.00 0.00 39.64 35.80 3i4m n ILE 210 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i4m h LEU 211 N 0.00 -1.63 -1.88 1.39 3.38 -0.74 0.19 115.31 116.03 3i4m h LEU 211 Ca 0.55 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.92 3i4m h LEU 211 Cb 1.10 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 3i4m h LEU 211 CO -0.90 -0.52 0.55 0.11 0.09 0.00 0.00 178.44 177.77 3i4m h LYS 212 N -0.66 0.10 -0.55 1.13 1.57 0.11 0.34 116.57 118.61 3i4m h LYS 212 Ca 0.02 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3i4m h LYS 212 Cb 0.72 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3i4m h LYS 212 CO -0.36 0.06 -0.05 1.49 -0.57 0.00 0.00 179.45 180.02 3i4m h GLU 213 N 0.10 0.99 0.19 3.15 4.22 0.65 -2.86 114.58 121.02 3i4m h GLU 213 Ca 0.38 -0.33 -0.01 0.00 0.08 0.00 0.00 59.36 59.48 3i4m h GLU 213 Cb 1.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3i4m h GLU 213 CO -0.04 1.01 -0.09 -0.07 -2.18 0.00 0.00 179.01 177.63 3i4m h LEU 214 N 0.90 -0.21 0.00 1.64 3.38 0.91 -0.82 115.31 121.11 3i4m h LEU 214 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i4m h LEU 214 Cb 0.60 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i4m h LEU 214 CO 0.04 0.28 0.04 -1.54 0.09 0.00 0.00 178.44 177.35 3i4m n SER 215 N -4.97 0.00 -0.07 -0.43 3.41 -0.67 0.24 113.62 111.12 3i4m n SER 215 Ca -0.08 0.15 -0.06 0.00 -0.26 0.00 0.00 58.87 58.61 3i4m n SER 215 Cb 0.26 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 3i4m n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i4m n ASN 216 N -1.07 1.61 0.28 4.04 5.15 -1.05 -4.36 115.26 119.86 3i4m n ASN 216 Ca 0.00 0.38 0.11 0.00 -0.60 0.00 0.00 54.58 54.47 3i4m n ASN 216 Cb 0.04 -0.74 0.76 0.00 -0.53 0.00 0.00 39.78 39.31 3i4m n ASN 216 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3i4m h LEU 217 N -0.85 0.00 -7.20 1.20 3.38 0.80 -3.42 115.31 109.23 3i4m h LEU 217 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3i4m h LEU 217 Cb 0.71 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 3i4m h LEU 217 CO 0.00 0.00 1.34 1.21 0.09 0.00 0.00 178.44 181.08 3i4m n GLU 218 N -4.24 0.00 -1.32 1.13 2.13 0.65 -4.69 120.64 114.30 3i4m n GLU 218 Ca -0.03 0.00 -0.52 0.00 0.66 0.00 0.00 57.16 57.27 3i4m n GLU 218 Cb 0.09 -0.90 -0.07 0.00 0.27 0.00 0.00 31.44 30.82 3i4m n GLU 218 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3i4m n THR 219 N 4.48 0.00 0.00 6.31 -1.04 -1.25 -4.90 114.28 117.88 3i4m n THR 219 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 3i4m n THR 219 Cb 0.30 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3i4m n THR 219 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i4m n LEU 220 N 1.79 0.00 0.00 -4.42 4.77 -1.26 -4.82 117.00 113.05 3i4m n LEU 220 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3i4m n LEU 220 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3i4m n LEU 220 CO 0.58 -1.19 0.00 -1.22 -1.33 0.00 0.00 177.39 174.22