#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s GLU 2 N 0.00 4.20 0.14 0.03 2.02 -1.26 -4.96 118.70 118.87 1m1k s GLU 2 Ca 0.00 1.67 -0.33 0.00 0.02 0.00 0.00 54.97 56.33 1m1k s GLU 2 Cb 0.00 -2.69 -0.13 0.00 0.10 0.00 0.00 34.13 31.41 1m1k s GLU 2 CO 0.00 -0.15 1.66 0.00 0.02 0.00 0.00 175.26 176.79 1m1k n ALA 3 N 0.18 1.66 0.21 5.21 0.00 -1.26 -4.85 120.51 121.66 1m1k n ALA 3 Ca 0.04 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1m1k n ALA 3 Cb 0.48 -2.42 0.46 0.00 0.00 0.00 0.00 19.45 17.96 1m1k n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1m1k h LEU 4 N 6.66 0.00 -0.42 0.00 3.38 -1.93 -3.47 115.31 119.53 1m1k h LEU 4 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1m1k h LEU 4 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1m1k h LEU 4 CO 0.91 0.25 -0.02 0.61 0.09 0.00 0.00 178.44 180.29 1m1k n GLY 5 N -0.77 0.61 3.63 0.83 0.00 -1.26 -4.70 105.19 103.53 1m1k n GLY 5 Ca -0.02 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1m1k n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k s ALA 6 N -2.49 -2.08 -0.20 4.61 0.00 -1.26 -4.44 121.76 115.90 1m1k s ALA 6 Ca 0.01 1.80 -0.15 0.00 0.00 0.00 0.00 51.96 53.62 1m1k s ALA 6 Cb -0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1m1k s ALA 6 CO 0.01 -0.24 0.36 -0.51 0.00 0.00 0.00 175.76 175.38 1m1k s ASP 7 N -0.89 6.40 -0.09 0.00 1.01 -0.35 -4.93 116.67 117.81 1m1k s ASP 7 Ca 0.06 0.46 0.01 0.00 0.71 0.00 0.00 52.55 53.80 1m1k s ASP 7 Cb -0.01 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1m1k s ASP 7 CO -0.07 -0.04 -0.12 -0.69 0.21 0.00 0.00 175.17 174.47 1m1k s VAL 8 N 1.18 3.26 -0.59 -1.27 1.01 -1.26 -0.83 120.40 121.90 1m1k s VAL 8 Ca 0.17 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1m1k s VAL 8 Cb -0.14 -2.33 0.15 0.00 0.00 0.00 0.00 36.38 34.06 1m1k s VAL 8 CO 0.07 0.57 0.53 -0.89 0.00 0.00 0.00 175.10 175.38 1m1k s THR 9 N -0.34 5.09 0.07 3.92 2.01 -1.26 -5.02 115.64 120.11 1m1k s THR 9 Ca 0.04 -1.79 -0.37 0.00 0.31 0.00 0.00 61.69 59.88 1m1k s THR 9 Cb -0.13 -4.25 -0.18 0.00 0.01 0.00 0.00 72.50 67.95 1m1k s THR 9 CO 0.02 -0.89 1.08 0.00 -0.69 0.00 0.00 174.62 174.15 1m1k n GLN 10 N 4.88 0.42 -0.10 4.92 3.00 -1.26 -4.80 117.38 124.45 1m1k n GLN 10 Ca -0.07 0.15 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1m1k n GLN 10 Cb 0.41 -1.63 0.09 0.00 0.00 0.00 0.00 30.24 29.12 1m1k n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m1k n GLY 11 N 1.86 2.17 3.24 1.08 0.00 -0.98 -4.88 105.19 107.68 1m1k n GLY 11 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1m1k n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m1k s LEU 12 N -0.93 2.42 0.12 0.99 1.43 0.04 -4.92 118.68 117.82 1m1k s LEU 12 Ca 0.15 -0.83 0.04 0.00 -1.03 0.00 0.00 54.13 52.45 1m1k s LEU 12 Cb 0.08 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1m1k s LEU 12 CO 0.11 -0.17 -0.09 -1.61 0.23 0.00 0.00 176.35 174.82 1m1k s GLU 13 N -2.79 0.93 0.22 1.70 2.02 -1.26 0.63 118.70 120.15 1m1k s GLU 13 Ca 0.10 -1.32 -0.31 0.00 0.02 0.00 0.00 54.97 53.46 1m1k s GLU 13 Cb -0.04 -0.51 -0.15 0.00 0.10 0.00 0.00 34.13 33.54 1m1k s GLU 13 CO 0.03 0.06 1.20 1.17 0.02 0.00 0.00 175.26 177.74 1m1k n LYS 14 N 0.13 1.48 -0.12 1.61 4.81 -0.13 -0.69 118.16 125.25 1m1k n LYS 14 Ca -0.13 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1m1k n LYS 14 Cb 0.59 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1m1k n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1m1k n GLY 15 N 1.85 1.17 3.75 3.14 0.00 0.10 -4.97 105.19 110.24 1m1k n GLY 15 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1m1k n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m1k s SER 16 N -2.92 7.22 -0.29 1.61 0.01 0.13 -4.73 113.70 114.74 1m1k s SER 16 Ca 0.00 2.23 -0.14 0.00 1.31 0.00 0.00 55.95 59.35 1m1k s SER 16 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1m1k s SER 16 CO 0.00 -0.21 0.32 -0.76 0.41 0.00 0.00 173.24 173.00 1m1k s LEU 17 N -1.00 4.14 0.41 2.44 1.43 -1.26 -1.29 118.68 123.55 1m1k s LEU 17 Ca 0.47 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1m1k s LEU 17 Cb -0.32 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1m1k s LEU 17 CO 0.39 -0.19 0.08 0.27 0.23 0.00 0.00 176.35 177.13 1m1k s ILE 18 N 1.97 0.96 0.16 -0.59 -4.36 0.19 -4.96 121.20 114.57 1m1k s ILE 18 Ca 0.12 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.29 1m1k s ILE 18 Cb -0.16 -2.46 -0.08 0.00 1.25 0.00 0.00 42.46 41.01 1m1k s ILE 18 CO 0.11 0.00 0.71 -0.89 0.24 0.00 0.00 174.94 175.10 1m1k s THR 19 N -3.13 4.52 -0.70 8.37 2.01 -0.66 -0.86 115.64 125.19 1m1k s THR 19 Ca 0.24 1.46 -0.17 0.00 0.31 0.00 0.00 61.69 63.53 1m1k s THR 19 Cb 0.04 -4.00 0.15 0.00 0.01 0.00 0.00 72.50 68.70 1m1k s THR 19 CO 0.12 0.45 0.75 0.00 -0.69 0.00 0.00 174.62 175.25 1m1k n ALA 21 N 5.47 4.86 -3.86 0.00 0.00 -0.08 -4.79 120.51 122.11 1m1k n ALA 21 Ca 0.02 -3.79 0.12 0.00 0.00 0.00 0.00 53.44 49.79 1m1k n ALA 21 Cb 0.44 -3.56 0.01 0.00 0.00 0.00 0.00 19.45 16.35 1m1k n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1m1k n ASP 22 N 6.87 -1.27 -2.19 0.00 5.68 -1.26 -3.34 116.55 121.04 1m1k n ASP 22 Ca 0.51 -1.47 -0.29 0.00 -0.50 0.00 0.00 54.79 53.04 1m1k n ASP 22 Cb 0.41 2.02 0.04 0.00 -1.14 0.00 0.00 41.12 42.45 1m1k n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1m1k n ASN 23 N -1.08 6.05 0.20 -1.12 6.94 -0.88 -4.64 115.26 120.72 1m1k n ASN 23 Ca 0.02 -3.77 0.09 0.00 -0.02 0.00 0.00 54.58 50.90 1m1k n ASN 23 Cb 0.52 -0.61 0.22 0.00 -2.36 0.00 0.00 39.78 37.55 1m1k n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1m1k h THR 24 N 1.75 0.41 0.00 5.53 1.35 -1.92 -3.44 112.91 116.59 1m1k h THR 24 Ca 0.46 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1m1k h THR 24 Cb 1.19 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1m1k h THR 24 CO 1.10 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 177.20 1m1k n GLY 25 N 0.88 0.83 3.58 5.82 0.00 -1.26 -5.01 105.19 110.02 1m1k n GLY 25 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1m1k n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1k s ALA 26 N -2.00 3.49 -0.20 4.61 0.00 -1.26 -1.26 121.76 125.15 1m1k s ALA 26 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 1m1k s ALA 26 Cb 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 23.12 20.57 1m1k s ALA 26 CO 0.00 -0.54 -0.05 0.54 0.00 0.00 0.00 175.76 175.71 1m1k n ARG 27 N 5.03 0.53 -4.57 0.00 1.74 0.38 -4.53 116.66 115.24 1m1k n ARG 27 Ca -0.14 0.48 -0.34 0.00 -0.77 0.00 0.00 57.85 57.08 1m1k n ARG 27 Cb 0.52 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 1m1k n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1m1k s GLU 28 N -2.40 3.22 -0.05 5.56 2.12 -1.00 -0.87 118.70 125.27 1m1k s GLU 28 Ca -0.26 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 54.55 1m1k s GLU 28 Cb 0.06 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 1m1k s GLU 28 CO 0.44 0.42 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.88 1m1k s LEU 29 N -0.15 2.44 -0.25 2.70 1.43 -0.04 -1.14 118.68 123.67 1m1k s LEU 29 Ca 0.02 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1m1k s LEU 29 Cb -0.13 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1m1k s LEU 29 CO 0.03 0.31 0.01 -0.75 0.23 0.00 0.00 176.35 176.18 1m1k s LYS 30 N -0.53 3.26 0.24 1.70 2.20 0.58 -0.64 119.74 126.56 1m1k s LYS 30 Ca 0.07 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1m1k s LYS 30 Cb -0.11 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 32.95 1m1k s LYS 30 CO 0.01 -0.30 1.39 0.08 -0.36 0.00 0.00 175.35 176.17 1m1k s VAL 31 N 1.48 2.84 -0.04 4.02 1.01 -0.41 -1.41 120.40 127.90 1m1k s VAL 31 Ca 0.04 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1m1k s VAL 31 Cb -0.16 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1m1k s VAL 31 CO -0.01 0.11 -0.02 -0.38 0.00 0.00 0.00 175.10 174.80 1m1k n ILE 32 N 2.31 0.22 -3.47 2.22 5.41 -0.19 -0.00 119.36 125.87 1m1k n ILE 32 Ca 0.06 -0.10 -0.11 0.00 1.00 0.00 0.00 62.75 63.60 1m1k n ILE 32 Cb 0.41 -0.70 -0.02 0.00 -0.71 0.00 0.00 39.64 38.62 1m1k n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1m1k s SER 33 N -4.16 -0.53 -0.16 4.38 0.01 -1.17 -4.78 113.70 107.29 1m1k s SER 33 Ca -0.04 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 1m1k s SER 33 Cb 0.01 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 1m1k s SER 33 CO 0.10 -1.01 -0.11 -0.69 0.41 0.00 0.00 173.24 171.94 1m1k s VAL 34 N -3.77 3.06 0.38 3.43 1.01 -1.26 -0.11 120.40 123.15 1m1k s VAL 34 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1m1k s VAL 34 Cb -0.02 -2.31 -0.11 0.00 0.00 0.00 0.00 36.38 33.94 1m1k s VAL 34 CO -0.11 0.50 1.44 1.57 0.00 0.00 0.00 175.10 178.50 1m1k n HIS 35 N 3.94 2.81 -1.47 5.22 -0.00 0.77 -2.90 115.22 123.58 1m1k n HIS 35 Ca -0.18 0.46 -0.17 0.00 0.46 0.00 0.00 57.72 58.29 1m1k n HIS 35 Cb 0.52 -2.50 -0.07 0.00 -0.12 0.00 0.00 29.99 27.82 1m1k n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1m1k n GLY 36 N 0.53 1.58 3.60 1.57 0.00 -1.26 -4.82 105.19 106.39 1m1k n GLY 36 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1m1k n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1m1k s TYR 37 N -2.40 2.91 -0.03 1.61 5.04 -1.14 -5.10 117.35 118.25 1m1k s TYR 37 Ca 0.00 -0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1m1k s TYR 37 Cb 0.00 -1.64 0.03 0.00 0.35 0.00 0.00 41.96 40.70 1m1k s TYR 37 CO 0.00 0.36 0.04 -1.54 -1.34 0.00 0.00 175.55 173.08 1m1k s SER 38 N -1.23 0.60 0.00 4.32 1.04 -1.26 -4.91 113.70 112.26 1m1k s SER 38 Ca 0.16 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1m1k s SER 38 Cb -0.11 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1m1k s SER 38 CO 0.06 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1m1k n GLY 39 N 4.73 0.75 3.52 7.32 0.00 -1.26 -5.13 105.19 115.13 1m1k n GLY 39 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1m1k n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m1k s THR 40 N 1.01 0.00 -0.21 2.61 -1.32 -1.26 -5.06 115.64 111.41 1m1k s THR 40 Ca 0.00 0.00 -0.40 0.00 -1.21 0.00 0.00 61.69 60.08 1m1k s THR 40 Cb 0.00 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.80 1m1k s THR 40 CO 0.00 0.00 1.22 1.17 -2.21 0.00 0.00 174.62 174.80 1m1k n LYS 41 N 0.16 0.00 -0.07 7.08 4.81 -1.26 -0.40 118.16 128.48 1m1k n LYS 41 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1m1k n LYS 41 Cb 0.60 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1m1k n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1m1k n ASN 42 N 2.45 0.00 -4.70 3.14 3.02 -1.26 -4.99 115.26 112.93 1m1k n ASN 42 Ca 0.23 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 1m1k n ASN 42 Cb 0.02 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.55 1m1k n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1m1k s ARG 43 N -0.03 4.45 -0.07 3.52 3.52 0.47 -5.01 118.95 125.79 1m1k s ARG 43 Ca 0.00 1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.51 1m1k s ARG 43 Cb 0.00 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1m1k s ARG 43 CO 0.00 -0.14 1.38 -1.01 -0.81 0.00 0.00 175.30 174.72 1m1k s HIS 44 N 1.43 2.71 0.03 5.12 3.76 -1.26 -4.53 115.29 122.55 1m1k s HIS 44 Ca 0.45 0.80 -0.35 0.00 -0.15 0.00 0.00 55.06 55.81 1m1k s HIS 44 Cb -0.19 -3.63 -0.14 0.00 1.11 0.00 0.00 32.58 29.73 1m1k s HIS 44 CO 0.20 -2.36 1.61 -0.35 -0.85 0.00 0.00 174.74 172.99 1m1k n PRO 45 N 6.10 1.79 -4.12 8.40 -0.04 -1.26 -4.80 135.00 141.07 1m1k n PRO 45 Ca 0.14 0.65 -0.30 0.00 -0.04 0.00 0.00 63.50 63.95 1m1k n PRO 45 Cb 0.44 -2.39 -0.08 0.00 -0.04 0.00 0.00 33.50 31.43 1m1k n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1m1k s LYS 46 N 1.83 2.58 0.04 0.54 -2.85 -1.26 -0.96 119.74 119.66 1m1k s LYS 46 Ca 0.86 -0.85 -0.02 0.00 -1.00 0.00 0.00 55.97 54.96 1m1k s LYS 46 Cb -0.80 -2.55 -0.02 0.00 -2.06 0.00 0.00 37.83 32.40 1m1k s LYS 46 CO 0.47 0.53 0.01 0.00 0.10 0.00 0.00 175.35 176.46 1m1k s ALA 47 N -1.37 0.20 0.00 0.59 0.00 0.20 -4.92 121.76 116.46 1m1k s ALA 47 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1m1k s ALA 47 Cb -0.11 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1m1k s ALA 47 CO 0.19 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1m1k n GLY 48 N 0.77 3.12 3.60 0.00 0.00 -1.26 -0.78 105.19 110.64 1m1k n GLY 48 Ca -0.19 -1.28 -0.48 0.00 0.00 0.00 0.00 46.02 44.07 1m1k n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m1k n LEU 49 N 0.00 1.85 0.00 0.99 4.77 -1.26 -1.90 117.00 121.44 1m1k n LEU 49 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1m1k n LEU 49 Cb 0.00 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1m1k n LEU 49 CO 0.00 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 175.55 1m1k n GLY 50 N 2.09 1.77 3.84 -0.72 0.00 -0.77 -5.00 105.19 106.40 1m1k n GLY 50 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1m1k n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m1k s ASP 51 N -3.28 6.88 -0.28 1.61 1.01 -0.80 -4.86 116.67 116.95 1m1k s ASP 51 Ca 0.00 1.23 -0.14 0.00 0.71 0.00 0.00 52.55 54.35 1m1k s ASP 51 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 1m1k s ASP 51 CO 0.00 -0.01 0.33 -0.75 0.21 0.00 0.00 175.17 174.94 1m1k s LYS 52 N -2.30 3.92 0.30 8.23 2.20 -1.26 -2.01 119.74 128.82 1m1k s LYS 52 Ca 0.45 -0.13 0.11 0.00 -0.36 0.00 0.00 55.97 56.04 1m1k s LYS 52 Cb -0.14 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1m1k s LYS 52 CO 0.20 -0.30 -0.13 0.96 -0.36 0.00 0.00 175.35 175.72 1m1k s ILE 53 N 1.99 2.58 -0.03 5.43 -4.36 -0.70 -0.17 121.20 125.94 1m1k s ILE 53 Ca 0.12 -2.25 -0.09 0.00 -0.26 0.00 0.00 60.65 58.17 1m1k s ILE 53 Cb -0.16 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1m1k s ILE 53 CO 0.10 -0.34 0.28 -0.89 0.24 0.00 0.00 174.94 174.34 1m1k s THR 54 N -2.50 5.27 0.17 8.37 2.01 0.85 -1.18 115.64 128.61 1m1k s THR 54 Ca 0.31 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.69 1m1k s THR 54 Cb -0.03 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1m1k s THR 54 CO 0.16 0.50 0.10 -0.69 -0.69 0.00 0.00 174.62 174.00 1m1k s VAL 55 N -1.17 0.05 0.04 3.82 1.01 0.12 -1.02 120.40 123.26 1m1k s VAL 55 Ca 0.23 -1.93 0.04 0.00 0.00 0.00 0.00 61.98 60.32 1m1k s VAL 55 Cb -0.14 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1m1k s VAL 55 CO 0.12 -0.23 -0.11 -0.94 0.00 0.00 0.00 175.10 173.93 1m1k s SER 56 N -3.10 1.29 -0.23 3.32 1.04 -0.50 -0.94 113.70 114.58 1m1k s SER 56 Ca 0.31 -0.47 -0.22 0.00 0.48 0.00 0.00 55.95 56.04 1m1k s SER 56 Cb 0.07 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 1m1k s SER 56 CO 0.07 -0.06 0.71 -0.69 0.98 0.00 0.00 173.24 174.25 1m1k s VAL 57 N -1.01 4.94 -0.14 5.02 1.01 -1.01 -0.30 120.40 128.90 1m1k s VAL 57 Ca -0.03 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1m1k s VAL 57 Cb -0.08 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 1m1k s VAL 57 CO 0.01 0.02 0.28 0.41 0.00 0.00 0.00 175.10 175.82 1m1k n THR 58 N 5.02 1.65 -4.25 3.92 -1.04 -0.29 -1.82 114.28 117.47 1m1k n THR 58 Ca 0.01 -0.69 -0.18 0.00 -2.04 0.00 0.00 64.05 61.16 1m1k n THR 58 Cb 0.49 -1.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.48 1m1k n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1m1k s LYS 59 N -2.55 0.74 0.00 -2.82 1.02 -1.14 -4.90 119.74 110.09 1m1k s LYS 59 Ca -0.20 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1m1k s LYS 59 Cb 0.07 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1m1k s LYS 59 CO 0.75 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.76 1m1k n GLY 60 N 2.00 0.93 3.73 -3.33 0.00 -1.26 -0.47 105.19 106.79 1m1k n GLY 60 Ca -0.18 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1m1k n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m1k s THR 61 N -2.57 2.32 0.35 2.61 -4.23 -0.39 -4.73 115.64 109.01 1m1k s THR 61 Ca 0.00 0.24 0.22 0.00 -1.18 0.00 0.00 61.69 60.97 1m1k s THR 61 Cb 0.00 -3.15 0.35 0.00 1.34 0.00 0.00 72.50 71.04 1m1k s THR 61 CO 0.00 0.03 1.43 -2.65 -0.54 0.00 0.00 174.62 172.89 1m1k n PRO 62 N 3.27 -0.05 0.16 3.99 -0.02 -1.26 0.11 135.00 141.20 1m1k n PRO 62 Ca 0.12 1.22 0.02 0.00 -2.02 0.00 0.00 63.50 62.84 1m1k n PRO 62 Cb 0.38 -2.25 0.22 0.00 -0.02 0.00 0.00 33.50 31.82 1m1k n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1m1k h GLU 63 N 0.00 0.00 0.00 -0.52 4.39 -1.98 -3.21 114.58 113.27 1m1k h GLU 63 Ca 0.78 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 60.26 1m1k h GLU 63 Cb 2.18 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.80 1m1k h GLU 63 CO -0.63 0.51 -1.42 0.52 -1.16 0.00 0.00 179.01 176.83 1m1k h MET 64 N 0.00 0.00 -6.96 2.33 2.86 0.43 -3.46 114.93 110.13 1m1k h MET 64 Ca -0.01 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 1m1k h MET 64 Cb 1.07 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.88 1m1k h MET 64 CO 0.07 0.44 0.40 0.54 1.06 0.00 0.00 176.91 179.42 1m1k n ARG 65 N -3.01 1.27 -0.39 1.72 1.74 -0.48 -2.61 116.66 114.89 1m1k n ARG 65 Ca -0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1m1k n ARG 65 Cb 0.92 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1m1k n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1m1k n ARG 66 N -1.14 0.00 -2.63 5.56 1.74 -0.75 -4.95 116.66 114.48 1m1k n ARG 66 Ca 0.13 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.80 1m1k n ARG 66 Cb 0.46 -3.57 -0.04 0.00 -1.02 0.00 0.00 32.46 28.29 1m1k n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1m1k s GLN 67 N -0.40 4.66 -0.46 5.56 -0.21 -1.07 -4.77 119.66 122.97 1m1k s GLN 67 Ca 0.00 1.58 -0.19 0.00 0.02 0.00 0.00 55.36 56.76 1m1k s GLN 67 Cb 0.00 -3.32 0.04 0.00 1.00 0.00 0.00 33.01 30.72 1m1k s GLN 67 CO 0.00 0.17 0.58 0.08 -2.12 0.00 0.00 175.29 174.00 1m1k s VAL 68 N -0.18 4.91 0.31 1.09 1.01 -1.26 -2.42 120.40 123.86 1m1k s VAL 68 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1m1k s VAL 68 Cb -0.26 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 1m1k s VAL 68 CO 0.32 -0.63 0.02 0.18 0.00 0.00 0.00 175.10 174.99 1m1k n LEU 69 N 6.06 0.00 -4.55 3.92 4.77 -0.12 -4.94 117.00 122.14 1m1k n LEU 69 Ca -0.05 -2.04 -0.28 0.00 -0.03 0.00 0.00 56.01 53.61 1m1k n LEU 69 Cb 0.47 0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 1m1k n LEU 69 CO 0.52 -0.29 -0.43 -0.70 -1.33 0.00 0.00 177.39 175.15 1m1k s GLU 70 N -3.14 2.00 0.35 3.23 2.12 -1.26 0.12 118.70 122.12 1m1k s GLU 70 Ca 0.03 -1.20 -0.07 0.00 0.36 0.00 0.00 54.97 54.09 1m1k s GLU 70 Cb 0.00 -2.18 0.03 0.00 0.26 0.00 0.00 34.13 32.24 1m1k s GLU 70 CO 0.02 0.46 0.58 0.00 -0.54 0.00 0.00 175.26 175.78 1m1k n ALA 71 N 0.37 -0.92 -3.39 6.30 0.00 -0.33 -0.27 120.51 122.28 1m1k n ALA 71 Ca -0.13 -1.37 -0.17 0.00 0.00 0.00 0.00 53.44 51.78 1m1k n ALA 71 Cb 0.54 1.10 -0.16 0.00 0.00 0.00 0.00 19.45 20.93 1m1k n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1m1k s VAL 72 N -2.51 0.31 -0.39 0.00 1.01 -0.88 -1.73 120.40 116.22 1m1k s VAL 72 Ca 0.22 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1m1k s VAL 72 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1m1k s VAL 72 CO 0.16 0.14 1.50 -0.69 0.00 0.00 0.00 175.10 176.21 1m1k s VAL 73 N 0.61 3.81 -0.13 2.92 1.01 -0.85 -0.42 120.40 127.36 1m1k s VAL 73 Ca -0.07 0.83 0.18 0.00 0.00 0.00 0.00 61.98 62.93 1m1k s VAL 73 Cb -0.10 -4.07 -0.23 0.00 0.00 0.00 0.00 36.38 31.98 1m1k s VAL 73 CO -0.01 -0.66 0.45 0.52 0.00 0.00 0.00 175.10 175.40 1m1k n VAL 74 N 7.10 0.99 -3.69 2.92 0.31 0.15 -1.85 118.33 124.27 1m1k n VAL 74 Ca 0.18 -0.71 -0.15 0.00 -0.01 0.00 0.00 64.34 63.65 1m1k n VAL 74 Cb 0.48 -0.46 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 1m1k n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1m1k s ARG 75 N -2.89 0.76 -0.00 5.55 0.52 -0.74 -3.26 118.95 118.89 1m1k s ARG 75 Ca -0.07 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 1m1k s ARG 75 Cb 0.09 0.35 0.02 0.00 0.52 0.00 0.00 34.95 35.92 1m1k s ARG 75 CO 0.84 -0.21 0.25 1.14 0.02 0.00 0.00 175.30 177.34 1m1k s GLN 76 N -1.08 0.62 0.29 3.54 -2.07 -1.17 0.29 119.66 120.09 1m1k s GLN 76 Ca -0.11 -0.30 0.12 0.00 -1.82 0.00 0.00 55.36 53.25 1m1k s GLN 76 Cb -0.04 0.27 0.41 0.00 -1.09 0.00 0.00 33.01 32.56 1m1k s GLN 76 CO 0.05 -0.17 1.63 0.00 -1.32 0.00 0.00 175.29 175.48 1m1k h ARG 77 N 3.93 0.00 -6.65 9.60 3.08 -1.72 -1.15 114.38 121.47 1m1k h ARG 77 Ca -0.30 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.24 1m1k h ARG 77 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1m1k h ARG 77 CO 0.41 0.57 0.40 0.21 -1.07 0.00 0.00 179.97 180.49 1m1k s LYS 78 N -3.58 4.71 0.71 0.04 2.47 -1.26 -4.29 119.74 118.54 1m1k s LYS 78 Ca -0.01 1.55 -0.16 0.00 -1.56 0.00 0.00 55.97 55.79 1m1k s LYS 78 Cb 0.12 -3.31 0.02 0.00 -1.46 0.00 0.00 37.83 33.19 1m1k s LYS 78 CO 0.75 0.26 1.16 -2.30 0.16 0.00 0.00 175.35 175.38 1m1k n PRO 79 N 2.25 0.70 -4.17 4.03 -0.02 -1.26 -4.75 135.00 131.78 1m1k n PRO 79 Ca 0.01 0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 1m1k n PRO 79 Cb 0.48 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 1m1k n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1m1k s ILE 80 N -1.70 0.98 -0.22 4.25 -4.36 -0.76 -4.02 121.20 115.37 1m1k s ILE 80 Ca 0.78 -1.54 -0.06 0.00 -0.26 0.00 0.00 60.65 59.57 1m1k s ILE 80 Cb -0.35 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1m1k s ILE 80 CO 0.46 -0.46 0.03 -0.60 0.24 0.00 0.00 174.94 174.61 1m1k s ARG 81 N -2.47 3.62 0.34 0.37 3.52 -0.01 -1.11 118.95 123.21 1m1k s ARG 81 Ca 0.03 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1m1k s ARG 81 Cb -0.05 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1m1k s ARG 81 CO 0.01 -0.09 0.64 1.03 -0.81 0.00 0.00 175.30 176.07 1m1k s ARG 82 N 1.31 3.67 0.33 5.12 0.52 -0.29 -1.21 118.95 128.41 1m1k s ARG 82 Ca 0.04 0.16 0.22 0.00 -0.52 0.00 0.00 55.73 55.64 1m1k s ARG 82 Cb -0.15 -2.55 1.17 0.00 0.52 0.00 0.00 34.95 33.94 1m1k s ARG 82 CO 0.02 0.11 1.28 -2.30 0.02 0.00 0.00 175.30 174.43 1m1k n PRO 83 N -1.13 -0.04 -0.10 3.54 -0.02 -1.26 0.25 135.00 136.24 1m1k n PRO 83 Ca -0.00 1.07 0.02 0.00 -2.02 0.00 0.00 63.50 62.57 1m1k n PRO 83 Cb 0.54 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.07 1m1k n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1m1k n ASP 84 N -4.57 1.07 0.00 2.55 5.75 -1.26 -4.89 116.55 115.21 1m1k n ASP 84 Ca 0.32 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1m1k n ASP 84 Cb 1.18 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1m1k n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m1k n GLY 85 N 0.59 3.18 3.75 6.12 0.00 0.14 -5.03 105.19 113.94 1m1k n GLY 85 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1m1k n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1k s THR 86 N -1.76 2.66 0.13 2.61 2.01 -1.25 -4.70 115.64 115.34 1m1k s THR 86 Ca 0.00 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1m1k s THR 86 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1m1k s THR 86 CO 0.00 -0.09 0.17 -0.13 -0.69 0.00 0.00 174.62 173.88 1m1k s ARG 87 N -3.34 3.12 -0.04 4.92 1.81 -1.26 -1.14 118.95 123.03 1m1k s ARG 87 Ca 0.77 -0.69 -0.00 0.00 -1.72 0.00 0.00 55.73 54.08 1m1k s ARG 87 Cb -0.30 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.42 1m1k s ARG 87 CO 0.33 0.53 0.02 0.08 -0.68 0.00 0.00 175.30 175.58 1m1k s VAL 88 N -1.64 0.11 0.08 3.52 1.01 -0.27 -4.91 120.40 118.30 1m1k s VAL 88 Ca 0.32 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1m1k s VAL 88 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1m1k s VAL 88 CO 0.25 0.16 -0.09 -1.59 0.00 0.00 0.00 175.10 173.83 1m1k s LYS 89 N 1.39 0.74 0.46 2.72 -2.85 -1.26 -1.84 119.74 119.11 1m1k s LYS 89 Ca -0.05 -1.05 0.07 0.00 -1.00 0.00 0.00 55.97 53.94 1m1k s LYS 89 Cb -0.13 -0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 35.22 1m1k s LYS 89 CO -0.03 0.06 0.37 -0.06 0.10 0.00 0.00 175.35 175.79 1m1k s PHE 90 N -2.25 2.31 0.21 1.78 0.40 -0.44 -5.01 117.98 114.98 1m1k s PHE 90 Ca 0.01 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1m1k s PHE 90 Cb -0.04 -2.06 0.13 0.00 0.51 0.00 0.00 43.02 41.56 1m1k s PHE 90 CO -0.01 -0.21 1.47 1.49 0.70 0.00 0.00 175.22 178.66 1m1k h GLU 91 N 0.98 0.13 0.00 0.44 4.22 -1.94 -3.38 114.58 115.04 1m1k h GLU 91 Ca -0.40 -0.12 -0.13 0.00 0.08 0.00 0.00 59.36 58.80 1m1k h GLU 91 Cb 1.28 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1m1k h GLU 91 CO 0.59 0.82 -0.11 -0.40 -2.18 0.00 0.00 179.01 177.73 1m1k n ASP 92 N -3.72 -0.30 -4.41 1.04 5.75 -1.26 -4.90 116.55 108.76 1m1k n ASP 92 Ca -0.02 -1.65 -0.33 0.00 -0.01 0.00 0.00 54.79 52.78 1m1k n ASP 92 Cb 0.72 0.62 -0.13 0.00 -1.03 0.00 0.00 41.12 41.30 1m1k n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1m1k s ASN 93 N -1.71 4.34 0.01 -1.12 0.01 -1.26 -3.01 114.94 112.20 1m1k s ASN 93 Ca 0.11 -0.26 -0.13 0.00 -0.71 0.00 0.00 52.86 51.87 1m1k s ASN 93 Cb 0.00 -1.69 0.02 0.00 0.41 0.00 0.00 41.25 39.99 1m1k s ASN 93 CO 0.08 0.14 0.26 0.00 -1.51 0.00 0.00 177.10 176.08 1m1k s ALA 94 N 0.51 -0.63 0.13 0.60 0.00 0.15 -1.65 121.76 120.86 1m1k s ALA 94 Ca -0.06 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1m1k s ALA 94 Cb -0.15 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1m1k s ALA 94 CO 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 175.76 175.52 1m1k s ALA 95 N -1.77 0.94 -0.14 0.00 0.00 -0.15 0.32 121.76 120.96 1m1k s ALA 95 Ca -0.11 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1m1k s ALA 95 Cb -0.04 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1m1k s ALA 95 CO 0.01 -0.41 -0.16 0.08 0.00 0.00 0.00 175.76 175.28 1m1k s VAL 96 N -3.90 1.68 0.24 0.00 1.01 0.45 -0.90 120.40 118.97 1m1k s VAL 96 Ca 0.20 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1m1k s VAL 96 Cb 0.07 -1.54 -0.13 0.00 0.00 0.00 0.00 36.38 34.77 1m1k s VAL 96 CO -0.00 0.48 1.41 -0.38 0.00 0.00 0.00 175.10 176.61 1m1k n ILE 97 N 4.55 0.93 -4.33 2.22 5.41 -1.26 -2.06 119.36 124.82 1m1k n ILE 97 Ca -0.18 -0.23 -0.17 0.00 1.00 0.00 0.00 62.75 63.16 1m1k n ILE 97 Cb 0.50 -1.48 -0.10 0.00 -0.71 0.00 0.00 39.64 37.85 1m1k n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1m1k s VAL 98 N -0.04 1.34 0.06 1.39 0.11 0.63 -2.17 120.40 121.73 1m1k s VAL 98 Ca 0.68 -2.10 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 1m1k s VAL 98 Cb -0.65 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.03 1m1k s VAL 98 CO 0.49 -0.48 0.06 -0.90 -3.33 0.00 0.00 175.10 170.95 1m1k n ASP 99 N -0.39 0.84 -0.35 3.54 5.68 -1.07 -4.06 116.55 120.74 1m1k n ASP 99 Ca -0.07 -1.20 0.12 0.00 -0.50 0.00 0.00 54.79 53.14 1m1k n ASP 99 Cb 0.62 -0.02 0.31 0.00 -1.14 0.00 0.00 41.12 40.89 1m1k n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1m1k h GLU 100 N 0.00 0.78 -0.01 0.11 5.08 -1.98 0.13 114.58 118.69 1m1k h GLU 100 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1m1k h GLU 100 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1m1k h GLU 100 CO 0.06 0.52 -0.14 0.09 -1.00 0.00 0.00 179.01 178.53 1m1k n ASN 101 N -4.73 0.92 -0.08 1.42 3.02 -1.26 -4.93 115.26 109.62 1m1k n ASN 101 Ca 0.22 -0.94 -0.01 0.00 -0.03 0.00 0.00 54.58 53.82 1m1k n ASN 101 Cb 0.53 0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1m1k n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m1k n GLU 102 N -0.57 -0.06 -3.53 3.52 1.02 0.47 -5.03 120.64 116.46 1m1k n GLU 102 Ca 0.15 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 57.20 1m1k n GLU 102 Cb 0.32 -3.81 -0.07 0.00 -0.02 0.00 0.00 31.44 27.85 1m1k n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1m1k s ASP 103 N -2.98 6.45 0.14 1.62 1.01 -1.26 -4.48 116.67 117.17 1m1k s ASP 103 Ca 0.00 0.53 -0.34 0.00 0.71 0.00 0.00 52.55 53.44 1m1k s ASP 103 Cb 0.00 -2.19 -0.16 0.00 1.01 0.00 0.00 42.92 41.59 1m1k s ASP 103 CO 0.00 0.10 1.32 -0.81 0.21 0.00 0.00 175.17 176.00 1m1k n PRO 104 N 3.52 1.39 0.25 8.23 -0.04 -1.26 -2.59 135.00 144.49 1m1k n PRO 104 Ca -0.12 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1m1k n PRO 104 Cb 0.52 -2.11 0.68 0.00 -0.04 0.00 0.00 33.50 32.54 1m1k n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1m1k h ARG 105 N 4.34 0.00 -6.93 0.54 2.43 -1.75 -3.44 114.38 109.57 1m1k h ARG 105 Ca -0.46 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.24 1m1k h ARG 105 Cb 1.32 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.93 1m1k h ARG 105 CO 0.77 0.14 0.02 0.20 -1.51 0.00 0.00 179.97 179.59 1m1k s GLY 106 N -4.20 1.76 -0.19 2.80 0.00 -1.26 -4.94 107.32 101.29 1m1k s GLY 106 Ca -0.03 -1.84 0.09 0.00 0.00 0.00 0.00 44.72 42.94 1m1k s GLY 106 CO 0.61 -1.33 0.07 2.41 0.00 0.00 0.00 173.10 174.85 1m1k n THR 107 N -2.60 1.50 -4.49 0.90 -1.04 -1.26 -4.99 114.28 102.30 1m1k n THR 107 Ca 0.15 -0.72 -0.21 0.00 -2.04 0.00 0.00 64.05 61.22 1m1k n THR 107 Cb 0.61 -1.02 -0.14 0.00 -1.82 0.00 0.00 70.33 67.96 1m1k n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1m1k s GLU 108 N -2.52 1.04 -0.25 -2.82 2.02 -1.26 -5.04 118.70 109.86 1m1k s GLU 108 Ca -0.20 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.05 1m1k s GLU 108 Cb 0.07 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1m1k s GLU 108 CO 0.74 0.27 0.13 -0.51 0.02 0.00 0.00 175.26 175.91 1m1k s LEU 109 N -0.79 3.80 -0.07 1.80 1.43 -1.26 -2.08 118.68 121.52 1m1k s LEU 109 Ca 0.04 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1m1k s LEU 109 Cb -0.07 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1m1k s LEU 109 CO 0.01 -0.01 0.64 -0.54 0.23 0.00 0.00 176.35 176.68 1m1k s LYS 110 N 1.47 4.41 0.00 1.70 1.02 -1.21 -4.44 119.74 122.69 1m1k s LYS 110 Ca 0.06 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.82 1m1k s LYS 110 Cb -0.15 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1m1k s LYS 110 CO 0.06 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 1m1k n GLY 111 N 3.08 -1.85 3.66 -3.33 0.00 -1.26 -4.63 105.19 100.85 1m1k n GLY 111 Ca -0.03 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1m1k n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1m1k s PRO 112 N -2.33 0.59 0.02 1.61 0.04 -1.26 -4.57 135.00 129.09 1m1k s PRO 112 Ca 0.00 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 1m1k s PRO 112 Cb 0.00 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 1m1k s PRO 112 CO 0.00 -2.69 0.05 0.42 0.04 0.00 0.00 177.00 174.83 1m1k s ILE 113 N -2.85 0.11 0.23 0.56 1.01 -0.85 -4.87 121.20 114.54 1m1k s ILE 113 Ca 0.65 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1m1k s ILE 113 Cb -0.20 -0.48 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 1m1k s ILE 113 CO 0.58 -0.49 0.97 0.00 0.00 0.00 0.00 174.94 176.00 1m1k s ALA 114 N -1.71 3.34 0.27 9.38 0.00 -1.20 -0.78 121.76 131.05 1m1k s ALA 114 Ca -0.13 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1m1k s ALA 114 Cb -0.07 -3.24 0.47 0.00 0.00 0.00 0.00 23.12 20.28 1m1k s ALA 114 CO -0.01 0.12 1.85 0.07 0.00 0.00 0.00 175.76 177.78 1m1k h ARG 115 N 4.33 0.99 -0.88 0.00 0.11 -1.86 -1.88 114.38 115.19 1m1k h ARG 115 Ca -0.45 -0.06 0.21 0.00 0.10 0.00 0.00 59.98 59.78 1m1k h ARG 115 Cb 1.20 -0.22 -0.06 0.00 1.11 0.00 0.00 29.97 32.00 1m1k h ARG 115 CO 0.69 0.65 0.59 0.93 0.10 0.00 0.00 179.97 182.93 1m1k h GLU 116 N 1.02 0.31 -0.05 0.08 3.07 -1.89 0.19 114.58 117.31 1m1k h GLU 116 Ca 0.46 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.31 1m1k h GLU 116 Cb 0.35 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1m1k h GLU 116 CO -0.23 0.20 0.03 0.28 -1.40 0.00 0.00 179.01 177.90 1m1k h VAL 117 N 0.32 0.94 0.13 3.13 2.07 -1.66 -2.39 116.25 118.79 1m1k h VAL 117 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1m1k h VAL 117 Cb 1.25 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1m1k h VAL 117 CO -0.14 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.32 1m1k h ALA 118 N 1.98 -0.26 0.00 1.67 0.00 -0.75 -0.86 119.26 121.03 1m1k h ALA 118 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1m1k h ALA 118 Cb 0.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1m1k h ALA 118 CO -0.00 -0.67 0.00 1.04 0.00 0.00 0.00 179.25 179.62 1m1k n GLN 119 N -5.26 0.00 0.00 0.00 6.02 -0.90 -2.57 117.38 114.68 1m1k n GLN 119 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1m1k n GLN 119 Cb 0.18 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1m1k n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m1k n ARG 120 N -0.77 0.06 -3.74 -1.09 1.74 -0.93 -4.83 116.66 107.10 1m1k n ARG 120 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1m1k n ARG 120 Cb 0.00 -0.73 -0.11 0.00 -1.02 0.00 0.00 32.46 30.60 1m1k n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1m1k n PHE 121 N -1.94 2.07 -0.02 -1.55 3.01 -0.37 -4.99 117.46 113.68 1m1k n PHE 121 Ca 0.00 -4.03 -0.07 0.00 1.01 0.00 0.00 57.45 54.36 1m1k n PHE 121 Cb 0.23 -0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 39.28 1m1k n PHE 121 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1m1k h GLY 122 N 5.42 -1.36 0.22 1.37 0.00 -1.81 -0.21 103.07 106.68 1m1k h GLY 122 Ca 0.18 0.70 0.24 0.00 0.00 0.00 0.00 47.33 48.46 1m1k h GLY 122 CO 0.62 -0.41 0.66 1.48 0.00 0.00 0.00 176.54 178.90 1m1k h SER 123 N -0.27 0.00 -0.10 0.19 4.64 -1.93 0.67 113.55 116.74 1m1k h SER 123 Ca 0.02 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 1m1k h SER 123 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1m1k h SER 123 CO -0.23 0.00 -0.53 0.58 -0.87 0.00 0.00 176.83 175.78 1m1k h VAL 124 N 0.00 1.36 -0.00 0.95 2.07 -1.47 -3.22 116.25 115.94 1m1k h VAL 124 Ca 0.40 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 1m1k h VAL 124 Cb 1.71 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1m1k h VAL 124 CO -0.00 0.56 -0.00 0.00 0.02 0.00 0.00 177.57 178.14 1m1k h ALA 125 N 0.47 0.00 0.00 1.67 0.00 0.18 -2.67 119.26 118.91 1m1k h ALA 125 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1m1k h ALA 125 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1m1k h ALA 125 CO 0.11 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 1m1k n SER 126 N -4.92 0.00 0.00 0.00 3.41 0.15 0.29 113.62 112.54 1m1k n SER 126 Ca -0.08 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1m1k n SER 126 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1m1k n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m1k n ALA 127 N -0.52 2.29 -1.78 7.33 0.00 -1.01 -5.03 120.51 121.79 1m1k n ALA 127 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1m1k n ALA 127 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1m1k n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m1k s ALA 128 N -0.08 3.15 -0.17 0.00 0.00 0.14 -3.99 121.76 120.81 1m1k s ALA 128 Ca 0.00 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 1m1k s ALA 128 Cb 0.00 -3.25 -0.21 0.00 0.00 0.00 0.00 23.12 19.65 1m1k s ALA 128 CO 0.00 -0.10 0.46 1.15 0.00 0.00 0.00 175.76 177.26 1m1k h THR 129 N 2.38 1.27 -3.76 0.00 2.02 -1.82 -3.46 112.91 109.54 1m1k h THR 129 Ca -0.48 -2.18 -0.54 0.00 0.77 0.00 0.00 66.41 63.98 1m1k h THR 129 Cb 1.21 2.63 -0.32 0.00 -1.74 0.00 0.00 68.15 69.94 1m1k h THR 129 CO 0.63 0.43 -0.83 -0.04 0.37 0.00 0.00 175.52 176.09 1m1k s MET 130 N -2.27 1.72 -0.24 6.66 -1.94 -1.26 -5.09 119.30 116.88 1m1k s MET 130 Ca -0.23 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1m1k s MET 130 Cb 0.01 -1.47 0.06 0.00 2.01 0.00 0.00 34.83 35.45 1m1k s MET 130 CO 0.61 0.18 -0.05 0.42 -0.01 0.00 0.00 175.02 176.17 1m1k s ILE 131 N 0.20 1.56 -2.62 2.53 1.01 -1.26 -2.00 121.20 120.62 1m1k s ILE 131 Ca -0.07 -1.27 0.27 0.00 0.00 0.00 0.00 60.65 59.58 1m1k s ILE 131 Cb -0.12 -1.84 0.46 0.00 0.01 0.00 0.00 42.46 40.97 1m1k s ILE 131 CO 0.03 -0.12 1.63 0.52 0.00 0.00 0.00 174.94 176.99