#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s GLU 2 N 0.00 4.30 0.21 0.03 2.12 -1.26 -4.93 118.70 119.17 3cma s GLU 2 Ca 0.00 1.98 -0.32 0.00 0.36 0.00 0.00 54.97 56.99 3cma s GLU 2 Cb 0.00 -2.95 -0.13 0.00 0.26 0.00 0.00 34.13 31.31 3cma s GLU 2 CO 0.00 -0.15 1.64 0.00 -0.54 0.00 0.00 175.26 176.21 3cma n ALA 3 N 0.61 2.22 -0.14 6.30 0.00 -1.26 -4.88 120.51 123.36 3cma n ALA 3 Ca 0.01 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 3cma n ALA 3 Cb 0.44 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.44 3cma n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cma h LEU 4 N 6.07 0.55 0.00 0.00 3.38 -1.91 -3.47 115.31 119.93 3cma h LEU 4 Ca -0.44 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3cma h LEU 4 Cb 1.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3cma h LEU 4 CO 0.90 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.58 3cma n GLY 5 N -0.84 0.94 3.46 0.83 0.00 -1.26 -4.75 105.19 103.57 3cma n GLY 5 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3cma n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 6 N -2.00 -1.48 -0.16 4.61 0.00 -1.26 -4.23 121.76 117.24 3cma s ALA 6 Ca 0.00 1.21 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 3cma s ALA 6 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3cma s ALA 6 CO 0.00 -0.32 0.78 -0.51 0.00 0.00 0.00 175.76 175.71 3cma s ASP 7 N -0.80 6.92 -0.08 0.00 1.01 0.66 -4.88 116.67 119.50 3cma s ASP 7 Ca -0.08 1.12 -0.00 0.00 0.71 0.00 0.00 52.55 54.29 3cma s ASP 7 Cb -0.02 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3cma s ASP 7 CO 0.06 -0.34 -0.04 -0.69 0.21 0.00 0.00 175.17 174.38 3cma s VAL 8 N 1.91 3.95 -0.47 -1.27 1.01 -1.26 -0.08 120.40 124.18 3cma s VAL 8 Ca 0.37 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3cma s VAL 8 Cb -0.17 -2.64 0.12 0.00 0.00 0.00 0.00 36.38 33.70 3cma s VAL 8 CO 0.13 0.60 0.33 -0.89 0.00 0.00 0.00 175.10 175.27 3cma s THR 9 N -0.76 4.04 -0.17 3.92 2.01 -1.25 -5.04 115.64 118.38 3cma s THR 9 Ca 0.12 -1.91 -0.41 0.00 0.31 0.00 0.00 61.69 59.80 3cma s THR 9 Cb -0.11 -3.67 -0.19 0.00 0.01 0.00 0.00 72.50 68.54 3cma s THR 9 CO 0.02 -0.77 1.39 0.00 -0.69 0.00 0.00 174.62 174.57 3cma n GLN 10 N 4.77 0.43 0.00 4.92 3.00 -1.26 -4.77 117.38 124.46 3cma n GLN 10 Ca -0.06 0.16 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 3cma n GLN 10 Cb 0.41 -1.72 0.03 0.00 0.00 0.00 0.00 30.24 28.96 3cma n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cma n GLY 11 N 2.88 0.16 3.39 1.08 0.00 -1.13 -4.89 105.19 106.69 3cma n GLY 11 Ca 0.24 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 3cma n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cma s LEU 12 N -1.92 2.52 0.42 0.99 1.43 0.72 -4.99 118.68 117.86 3cma s LEU 12 Ca 0.17 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.34 3cma s LEU 12 Cb 0.15 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3cma s LEU 12 CO 0.36 -0.04 0.06 -1.61 0.23 0.00 0.00 176.35 175.36 3cma s GLU 13 N -3.27 1.94 -0.02 1.70 2.02 -1.26 0.09 118.70 119.90 3cma s GLU 13 Ca 0.23 -2.16 -0.30 0.00 0.02 0.00 0.00 54.97 52.75 3cma s GLU 13 Cb -0.04 -1.06 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 3cma s GLU 13 CO 0.10 -0.32 1.43 0.21 0.02 0.00 0.00 175.26 176.70 3cma s LYS 14 N -3.80 4.26 0.00 1.61 2.20 -0.54 -2.08 119.74 121.40 3cma s LYS 14 Ca 0.24 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 3cma s LYS 14 Cb 0.05 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3cma s LYS 14 CO 0.12 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 3cma n GLY 15 N 3.71 0.51 3.79 5.54 0.00 0.49 -4.95 105.19 114.28 3cma n GLY 15 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3cma n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cma s SER 16 N -2.88 6.20 -0.15 1.61 0.01 -0.88 -4.69 113.70 112.92 3cma s SER 16 Ca 0.00 1.99 -0.05 0.00 1.31 0.00 0.00 55.95 59.20 3cma s SER 16 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 3cma s SER 16 CO 0.00 -0.88 0.03 -0.76 0.41 0.00 0.00 173.24 172.04 3cma s LEU 17 N -3.55 3.69 0.21 2.44 1.43 -1.26 -0.70 118.68 120.94 3cma s LEU 17 Ca 0.68 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3cma s LEU 17 Cb -0.18 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3cma s LEU 17 CO 0.22 0.25 0.17 0.27 0.23 0.00 0.00 176.35 177.48 3cma s ILE 18 N -0.08 0.00 0.25 -0.59 -4.36 0.12 -4.98 121.20 111.56 3cma s ILE 18 Ca 0.05 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 3cma s ILE 18 Cb -0.12 -2.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.02 3cma s ILE 18 CO 0.02 0.00 0.97 -0.89 0.24 0.00 0.00 174.94 175.28 3cma s THR 19 N -4.11 3.96 -0.77 8.37 2.01 -0.72 -0.94 115.64 123.45 3cma s THR 19 Ca 0.38 1.96 -0.14 0.00 0.31 0.00 0.00 61.69 64.20 3cma s THR 19 Cb 0.06 -4.24 0.20 0.00 0.01 0.00 0.00 72.50 68.53 3cma s THR 19 CO 0.13 0.46 0.71 0.00 -0.69 0.00 0.00 174.62 175.22 3cma n ALA 21 N 4.19 5.58 -3.31 0.00 0.00 -0.60 -4.78 120.51 121.59 3cma n ALA 21 Ca 0.09 -2.90 -0.01 0.00 0.00 0.00 0.00 53.44 50.62 3cma n ALA 21 Cb 0.45 -3.27 0.01 0.00 0.00 0.00 0.00 19.45 16.64 3cma n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cma n ASP 22 N 4.66 -0.88 -1.97 0.00 5.68 -1.26 -1.45 116.55 121.32 3cma n ASP 22 Ca 0.57 -1.62 -0.24 0.00 -0.50 0.00 0.00 54.79 53.00 3cma n ASP 22 Cb 0.23 1.48 0.08 0.00 -1.14 0.00 0.00 41.12 41.77 3cma n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3cma n ASN 23 N -1.23 5.39 0.23 -1.12 6.94 -1.06 -4.67 115.26 119.74 3cma n ASN 23 Ca -0.03 -3.77 0.12 0.00 -0.02 0.00 0.00 54.58 50.87 3cma n ASN 23 Cb 0.23 -0.63 0.43 0.00 -2.36 0.00 0.00 39.78 37.45 3cma n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3cma h THR 24 N 1.51 0.32 0.00 5.53 1.35 -1.91 -3.43 112.91 116.28 3cma h THR 24 Ca 0.43 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3cma h THR 24 Cb 1.35 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3cma h THR 24 CO 0.99 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 3cma n GLY 25 N 0.40 1.70 3.72 5.82 0.00 -1.26 -4.99 105.19 110.58 3cma n GLY 25 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3cma n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma s ALA 26 N -2.15 3.42 -0.27 4.61 0.00 -1.26 -1.82 121.76 124.30 3cma s ALA 26 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3cma s ALA 26 Cb 0.00 -2.77 -0.12 0.00 0.00 0.00 0.00 23.12 20.23 3cma s ALA 26 CO 0.00 -0.03 -0.32 0.54 0.00 0.00 0.00 175.76 175.95 3cma n ARG 27 N 3.67 0.58 -5.05 0.00 1.74 0.16 -4.64 116.66 113.12 3cma n ARG 27 Ca -0.05 0.23 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 3cma n ARG 27 Cb 0.51 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.34 3cma n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3cma s GLU 28 N -2.49 3.02 -0.05 5.56 2.12 0.34 -2.18 118.70 125.03 3cma s GLU 28 Ca -0.37 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.20 3cma s GLU 28 Cb 0.13 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.11 3cma s GLU 28 CO 0.49 0.27 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.81 3cma s LEU 29 N 0.16 2.63 -0.16 2.70 1.43 -0.11 -0.81 118.68 124.53 3cma s LEU 29 Ca -0.11 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3cma s LEU 29 Cb -0.16 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3cma s LEU 29 CO 0.06 0.34 -0.10 -0.75 0.23 0.00 0.00 176.35 176.13 3cma s LYS 30 N -0.69 3.41 0.05 1.70 2.20 -0.47 0.15 119.74 126.08 3cma s LYS 30 Ca 0.11 -0.65 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 3cma s LYS 30 Cb -0.11 -2.76 -0.06 0.00 -1.51 0.00 0.00 37.83 33.40 3cma s LYS 30 CO 0.00 0.11 1.25 0.08 -0.36 0.00 0.00 175.35 176.43 3cma s VAL 31 N 0.65 3.91 -0.10 4.02 1.01 0.13 -1.72 120.40 128.29 3cma s VAL 31 Ca -0.05 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.24 3cma s VAL 31 Cb -0.15 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3cma s VAL 31 CO 0.02 0.08 -0.12 -0.38 0.00 0.00 0.00 175.10 174.71 3cma n ILE 32 N 4.08 0.56 -3.95 2.22 5.41 0.32 0.18 119.36 128.18 3cma n ILE 32 Ca 0.10 -0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.60 3cma n ILE 32 Cb 0.45 -1.39 -0.08 0.00 -0.71 0.00 0.00 39.64 37.92 3cma n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3cma s SER 33 N -5.61 0.21 -0.17 4.38 0.01 -0.89 -4.76 113.70 106.88 3cma s SER 33 Ca -0.14 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.32 3cma s SER 33 Cb 0.05 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.61 3cma s SER 33 CO 0.19 -0.72 -0.19 -0.69 0.41 0.00 0.00 173.24 172.24 3cma s VAL 34 N -3.91 2.24 0.23 3.43 1.01 -1.26 0.09 120.40 122.23 3cma s VAL 34 Ca 0.09 -0.90 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 3cma s VAL 34 Cb 0.06 -1.93 -0.14 0.00 0.00 0.00 0.00 36.38 34.37 3cma s VAL 34 CO -0.08 0.53 1.42 1.57 0.00 0.00 0.00 175.10 178.54 3cma n HIS 35 N 4.36 2.15 -1.28 5.22 -0.00 -0.06 -2.35 115.22 123.26 3cma n HIS 35 Ca -0.20 0.42 -0.11 0.00 0.46 0.00 0.00 57.72 58.29 3cma n HIS 35 Cb 0.51 -2.46 -0.05 0.00 -0.12 0.00 0.00 29.99 27.87 3cma n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3cma n GLY 36 N 2.30 1.06 3.91 1.57 0.00 -1.26 -4.86 105.19 107.91 3cma n GLY 36 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3cma n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cma s TYR 37 N -1.90 3.48 -0.25 1.61 5.04 -0.99 -5.08 117.35 119.26 3cma s TYR 37 Ca 0.00 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.08 3cma s TYR 37 Cb 0.00 -1.95 0.13 0.00 0.35 0.00 0.00 41.96 40.50 3cma s TYR 37 CO 0.00 0.39 0.36 0.45 -1.34 0.00 0.00 175.55 175.41 3cma s SER 38 N -2.79 0.54 0.00 4.32 0.15 -1.26 -4.97 113.70 109.68 3cma s SER 38 Ca 0.40 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3cma s SER 38 Cb -0.12 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 3cma s SER 38 CO 0.27 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.00 3cma n GLY 39 N 5.35 -0.68 3.51 9.45 0.00 -1.26 -5.12 105.19 116.44 3cma n GLY 39 Ca -0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3cma n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cma s THR 40 N 0.00 0.00 -0.02 2.61 -1.32 -1.26 -5.07 115.64 110.57 3cma s THR 40 Ca 0.00 0.00 -0.38 0.00 -1.21 0.00 0.00 61.69 60.10 3cma s THR 40 Cb 0.00 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.82 3cma s THR 40 CO 0.00 0.00 1.39 1.17 -2.21 0.00 0.00 174.62 174.97 3cma n LYS 41 N -0.19 0.93 0.00 7.08 4.81 -1.26 -1.21 118.16 128.33 3cma n LYS 41 Ca -0.08 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3cma n LYS 41 Cb 0.61 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3cma n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3cma n ASN 42 N 2.99 0.00 -4.72 3.14 3.02 -1.26 -4.99 115.26 113.43 3cma n ASN 42 Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 3cma n ASN 42 Cb 0.15 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3cma n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3cma s ARG 43 N 0.00 4.45 -0.05 3.52 3.52 -0.35 -5.00 118.95 125.05 3cma s ARG 43 Ca 0.00 1.78 -0.30 0.00 -0.13 0.00 0.00 55.73 57.08 3cma s ARG 43 Cb 0.00 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3cma s ARG 43 CO 0.00 -0.21 1.23 -1.01 -0.81 0.00 0.00 175.30 174.50 3cma s HIS 44 N 0.84 3.14 0.11 5.12 3.76 -1.26 -4.60 115.29 122.40 3cma s HIS 44 Ca 0.57 1.15 -0.33 0.00 -0.15 0.00 0.00 55.06 56.30 3cma s HIS 44 Cb -0.30 -3.46 -0.13 0.00 1.11 0.00 0.00 32.58 29.80 3cma s HIS 44 CO 0.30 -1.49 1.69 -0.35 -0.85 0.00 0.00 174.74 174.05 3cma n PRO 45 N 5.23 2.31 -4.13 8.40 -0.04 -1.26 -4.81 135.00 140.69 3cma n PRO 45 Ca 0.11 0.84 -0.35 0.00 -0.04 0.00 0.00 63.50 64.06 3cma n PRO 45 Cb 0.46 -2.65 -0.08 0.00 -0.04 0.00 0.00 33.50 31.20 3cma n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3cma s LYS 46 N 1.85 3.16 0.04 0.54 -2.85 -1.26 -1.47 119.74 119.75 3cma s LYS 46 Ca 0.82 -0.34 0.04 0.00 -1.00 0.00 0.00 55.97 55.48 3cma s LYS 46 Cb -0.64 -2.94 -0.02 0.00 -2.06 0.00 0.00 37.83 32.17 3cma s LYS 46 CO 0.40 0.71 -0.11 0.00 0.10 0.00 0.00 175.35 176.45 3cma s ALA 47 N -1.03 0.92 0.04 0.59 0.00 0.11 -4.94 121.76 117.45 3cma s ALA 47 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3cma s ALA 47 Cb -0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 3cma s ALA 47 CO 0.07 0.13 0.05 0.41 0.00 0.00 0.00 175.76 176.42 3cma n GLY 48 N 1.82 3.41 3.66 0.00 0.00 -1.26 -0.20 105.19 112.63 3cma n GLY 48 Ca -0.19 -1.53 -0.50 0.00 0.00 0.00 0.00 46.02 43.80 3cma n GLY 48 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cma n LEU 49 N 0.00 2.75 0.00 0.99 7.94 -1.26 -1.78 117.00 125.64 3cma n LEU 49 Ca 0.00 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 3cma n LEU 49 Cb 0.07 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 42.71 3cma n LEU 49 CO 0.03 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.51 3cma n GLY 50 N 3.62 0.68 3.88 -3.96 0.00 -0.80 -4.99 105.19 103.63 3cma n GLY 50 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3cma n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cma s ASP 51 N -2.99 6.61 -0.19 1.61 1.01 -0.73 -4.85 116.67 117.14 3cma s ASP 51 Ca 0.00 0.82 -0.14 0.00 0.71 0.00 0.00 52.55 53.94 3cma s ASP 51 Cb 0.00 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 3cma s ASP 51 CO 0.00 0.01 0.33 -0.75 0.21 0.00 0.00 175.17 174.97 3cma s LYS 52 N -2.56 4.19 0.15 8.23 2.20 -1.26 -1.52 119.74 129.17 3cma s LYS 52 Ca 0.43 0.10 0.07 0.00 -0.36 0.00 0.00 55.97 56.20 3cma s LYS 52 Cb -0.12 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3cma s LYS 52 CO 0.21 0.07 -0.14 0.96 -0.36 0.00 0.00 175.35 176.09 3cma s ILE 53 N 0.98 1.49 -0.08 5.43 -4.36 0.12 -0.88 121.20 123.91 3cma s ILE 53 Ca 0.17 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.51 3cma s ILE 53 Cb -0.14 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 3cma s ILE 53 CO 0.06 -0.47 0.37 -0.89 0.24 0.00 0.00 174.94 174.25 3cma s THR 54 N -2.43 5.18 0.08 8.37 2.01 0.11 -0.47 115.64 128.49 3cma s THR 54 Ca 0.14 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.89 3cma s THR 54 Cb -0.03 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3cma s THR 54 CO 0.04 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 3cma s VAL 55 N -0.27 0.69 0.07 3.82 1.01 0.21 -0.52 120.40 125.40 3cma s VAL 55 Ca 0.21 -1.55 0.08 0.00 0.00 0.00 0.00 61.98 60.73 3cma s VAL 55 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3cma s VAL 55 CO 0.09 -0.62 -0.21 -0.94 0.00 0.00 0.00 175.10 173.42 3cma s SER 56 N -2.36 3.60 -0.22 3.32 1.04 -0.70 -0.02 113.70 118.36 3cma s SER 56 Ca 0.02 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 3cma s SER 56 Cb -0.02 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3cma s SER 56 CO -0.02 0.23 0.73 -0.69 0.98 0.00 0.00 173.24 174.47 3cma s VAL 57 N -0.96 4.93 -0.21 5.02 1.01 -0.39 -1.37 120.40 128.43 3cma s VAL 57 Ca 0.14 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 3cma s VAL 57 Cb -0.10 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.05 3cma s VAL 57 CO 0.06 0.02 -0.01 0.41 0.00 0.00 0.00 175.10 175.57 3cma n THR 58 N 5.02 1.60 -4.66 3.92 -1.04 0.01 -0.88 114.28 118.24 3cma n THR 58 Ca 0.02 -0.55 -0.24 0.00 -2.04 0.00 0.00 64.05 61.24 3cma n THR 58 Cb 0.49 -1.61 -0.16 0.00 -1.82 0.00 0.00 70.33 67.23 3cma n THR 58 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3cma s LYS 59 N -2.52 1.46 0.00 -2.82 1.02 -1.06 -4.89 119.74 110.92 3cma s LYS 59 Ca -0.31 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3cma s LYS 59 Cb 0.09 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.10 3cma s LYS 59 CO 0.65 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 3cma n GLY 60 N 3.19 -1.48 3.41 -3.33 0.00 -1.26 0.39 105.19 106.11 3cma n GLY 60 Ca -0.18 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 3cma n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cma n THR 61 N 1.01 1.22 -0.16 2.61 -2.24 -0.76 -4.58 114.28 111.38 3cma n THR 61 Ca 0.00 -0.37 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 3cma n THR 61 Cb 0.00 -0.62 0.39 0.00 -2.10 0.00 0.00 70.33 68.00 3cma n THR 61 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3cma h PRO 62 N -0.62 0.64 0.00 -0.78 0.11 -1.95 -1.67 132.00 127.74 3cma h PRO 62 Ca -0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3cma h PRO 62 Cb 1.34 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3cma h PRO 62 CO 0.40 0.43 -0.57 0.93 -0.21 0.00 0.00 178.00 178.97 3cma h GLU 63 N 0.66 0.00 0.06 1.05 4.39 -1.98 -3.34 114.58 115.43 3cma h GLU 63 Ca 0.31 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.74 3cma h GLU 63 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3cma h GLU 63 CO -0.10 0.57 -1.45 0.52 -1.16 0.00 0.00 179.01 177.39 3cma h MET 64 N 0.00 0.13 -4.85 2.33 2.86 -1.78 -3.46 114.93 110.16 3cma h MET 64 Ca -0.01 -0.23 -0.53 0.00 -2.06 0.00 0.00 59.70 56.88 3cma h MET 64 Cb 1.16 0.08 0.10 0.00 0.06 0.00 0.00 31.60 33.00 3cma h MET 64 CO 0.07 1.11 -0.54 0.54 1.06 0.00 0.00 176.91 179.15 3cma n ARG 65 N -4.06 0.00 -0.22 1.72 1.74 -0.67 -1.27 116.66 113.90 3cma n ARG 65 Ca -0.30 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 3cma n ARG 65 Cb 0.83 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 3cma n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cma n ARG 66 N 0.90 0.00 -2.37 5.56 1.74 -0.06 -4.91 116.66 117.52 3cma n ARG 66 Ca 0.13 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 3cma n ARG 66 Cb 0.24 -3.18 -0.02 0.00 -1.02 0.00 0.00 32.46 28.48 3cma n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3cma s GLN 67 N -0.18 3.98 -0.35 5.56 -0.21 -0.40 -4.65 119.66 123.41 3cma s GLN 67 Ca 0.00 1.70 -0.08 0.00 0.02 0.00 0.00 55.36 57.00 3cma s GLN 67 Cb 0.00 -2.53 0.04 0.00 1.00 0.00 0.00 33.01 31.52 3cma s GLN 67 CO 0.00 -0.35 0.14 0.08 -2.12 0.00 0.00 175.29 173.04 3cma s VAL 68 N -1.55 4.00 0.32 1.09 1.01 -1.26 -1.26 120.40 122.76 3cma s VAL 68 Ca 0.60 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3cma s VAL 68 Cb -0.27 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3cma s VAL 68 CO 0.33 -0.21 0.03 -0.76 0.00 0.00 0.00 175.10 174.49 3cma s LEU 69 N 1.44 2.30 0.30 3.92 1.43 0.97 -4.94 118.68 124.10 3cma s LEU 69 Ca -0.00 -1.34 -0.00 0.00 -1.03 0.00 0.00 54.13 51.75 3cma s LEU 69 Cb -0.20 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3cma s LEU 69 CO 0.04 -0.55 0.50 -1.61 0.23 0.00 0.00 176.35 174.96 3cma s GLU 70 N -3.85 3.51 0.28 1.70 2.02 -1.26 0.64 118.70 121.74 3cma s GLU 70 Ca 0.35 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 3cma s GLU 70 Cb 0.08 -2.72 0.01 0.00 0.10 0.00 0.00 34.13 31.61 3cma s GLU 70 CO 0.15 0.23 0.61 0.00 0.02 0.00 0.00 175.26 176.28 3cma s ALA 71 N -2.16 -0.66 -0.08 5.21 0.00 0.38 -1.38 121.76 123.07 3cma s ALA 71 Ca 0.40 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3cma s ALA 71 Cb -0.10 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3cma s ALA 71 CO 0.33 -0.95 -0.18 0.08 0.00 0.00 0.00 175.76 175.05 3cma s VAL 72 N -3.76 1.58 -0.09 0.00 1.01 -0.44 -0.70 120.40 118.00 3cma s VAL 72 Ca 0.17 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3cma s VAL 72 Cb -0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3cma s VAL 72 CO 0.09 0.45 1.25 -0.69 0.00 0.00 0.00 175.10 176.21 3cma s VAL 73 N 0.44 4.20 -0.06 2.92 1.01 -0.58 -1.12 120.40 127.21 3cma s VAL 73 Ca -0.15 1.50 0.13 0.00 0.00 0.00 0.00 61.98 63.46 3cma s VAL 73 Cb -0.16 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.06 3cma s VAL 73 CO 0.06 -0.05 0.20 0.52 0.00 0.00 0.00 175.10 175.82 3cma n VAL 74 N 4.93 0.37 -3.83 2.92 0.31 0.38 -1.90 118.33 121.51 3cma n VAL 74 Ca 0.12 -0.41 -0.10 0.00 -0.01 0.00 0.00 64.34 63.94 3cma n VAL 74 Cb 0.45 -0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.14 3cma n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3cma s ARG 75 N -2.69 0.82 -0.17 5.55 0.52 -0.96 -3.28 118.95 118.73 3cma s ARG 75 Ca -0.06 -0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 3cma s ARG 75 Cb 0.07 0.34 0.11 0.00 0.52 0.00 0.00 34.95 35.99 3cma s ARG 75 CO 0.56 -0.26 0.93 1.14 0.02 0.00 0.00 175.30 177.69 3cma s GLN 76 N -3.42 0.67 -0.02 3.54 -2.07 -1.04 -1.66 119.66 115.67 3cma s GLN 76 Ca 0.01 0.31 -0.01 0.00 -1.82 0.00 0.00 55.36 53.86 3cma s GLN 76 Cb 0.03 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 3cma s GLN 76 CO -0.09 -0.18 0.15 0.00 -1.32 0.00 0.00 175.29 173.85 3cma h ARG 77 N 3.14 -0.05 0.00 9.60 3.08 -1.74 -2.40 114.38 126.01 3cma h ARG 77 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3cma h ARG 77 Cb 1.16 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3cma h ARG 77 CO 0.27 -0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.77 3cma n LYS 78 N -2.79 0.00 -1.43 0.04 4.01 -1.26 -4.51 118.16 112.23 3cma n LYS 78 Ca -0.01 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.47 3cma n LYS 78 Cb 0.02 0.00 0.08 0.00 -0.51 0.00 0.00 35.03 34.62 3cma n LYS 78 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 3cma s PRO 79 N 0.59 2.36 0.32 1.97 0.02 -1.26 -4.84 135.00 134.16 3cma s PRO 79 Ca 0.00 1.33 0.09 0.00 0.02 0.00 0.00 61.00 62.45 3cma s PRO 79 Cb 0.00 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.56 3cma s PRO 79 CO 0.00 -1.58 -0.11 0.96 -0.33 0.00 0.00 177.00 175.94 3cma s ILE 80 N -2.59 2.17 -0.07 2.83 -4.36 -0.02 -3.93 121.20 115.24 3cma s ILE 80 Ca 0.65 -2.23 0.05 0.00 -0.26 0.00 0.00 60.65 58.86 3cma s ILE 80 Cb -0.20 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 3cma s ILE 80 CO 0.50 -0.27 -0.24 -0.60 0.24 0.00 0.00 174.94 174.56 3cma s ARG 81 N -3.61 2.67 0.26 0.37 3.52 0.88 -0.64 118.95 122.40 3cma s ARG 81 Ca 0.31 -0.89 0.06 0.00 -0.13 0.00 0.00 55.73 55.08 3cma s ARG 81 Cb 0.01 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 3cma s ARG 81 CO 0.15 0.34 0.35 1.03 -0.81 0.00 0.00 175.30 176.36 3cma s ARG 82 N -0.06 3.29 0.35 5.12 0.52 -0.63 -0.24 118.95 127.29 3cma s ARG 82 Ca -0.07 -0.86 0.24 0.00 -0.52 0.00 0.00 55.73 54.52 3cma s ARG 82 Cb -0.15 -2.81 1.21 0.00 0.52 0.00 0.00 34.95 33.72 3cma s ARG 82 CO 0.05 0.36 1.32 -2.30 0.02 0.00 0.00 175.30 174.75 3cma n PRO 83 N -1.41 -0.04 -0.77 3.54 -0.02 -1.26 0.18 135.00 135.23 3cma n PRO 83 Ca -0.07 1.10 -0.12 0.00 -2.02 0.00 0.00 63.50 62.39 3cma n PRO 83 Cb 0.57 -2.08 0.15 0.00 -0.02 0.00 0.00 33.50 32.12 3cma n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cma n ASP 84 N -4.58 3.62 -1.66 2.55 5.75 -1.26 -4.90 116.55 116.07 3cma n ASP 84 Ca 0.33 -2.97 -0.16 0.00 -0.01 0.00 0.00 54.79 51.98 3cma n ASP 84 Cb 1.23 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 3cma n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cma n GLY 85 N -0.39 1.16 3.84 6.12 0.00 0.48 -4.97 105.19 111.43 3cma n GLY 85 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 3cma n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cma s THR 86 N -2.47 5.06 0.27 2.61 2.01 -1.24 -4.81 115.64 117.09 3cma s THR 86 Ca 0.00 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.66 3cma s THR 86 Cb 0.00 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3cma s THR 86 CO 0.00 0.55 0.61 -0.13 -0.69 0.00 0.00 174.62 174.96 3cma s ARG 87 N -1.16 3.82 -0.05 4.92 1.81 -1.26 -1.60 118.95 125.44 3cma s ARG 87 Ca 0.24 0.35 0.02 0.00 -1.72 0.00 0.00 55.73 54.61 3cma s ARG 87 Cb -0.16 -2.58 0.02 0.00 -0.45 0.00 0.00 34.95 31.78 3cma s ARG 87 CO 0.13 0.24 -0.07 0.08 -0.68 0.00 0.00 175.30 175.00 3cma s VAL 88 N -1.93 0.73 0.03 3.52 1.01 0.19 -4.91 120.40 119.03 3cma s VAL 88 Ca 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3cma s VAL 88 Cb -0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 3cma s VAL 88 CO 0.22 0.26 -0.04 -1.59 0.00 0.00 0.00 175.10 173.96 3cma s LYS 89 N 0.77 0.37 0.47 2.72 -2.85 -1.26 -0.84 119.74 119.11 3cma s LYS 89 Ca -0.12 -0.70 0.07 0.00 -1.00 0.00 0.00 55.97 54.22 3cma s LYS 89 Cb -0.14 0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.70 3cma s LYS 89 CO 0.01 -0.05 0.34 -0.06 0.10 0.00 0.00 175.35 175.69 3cma s PHE 90 N -1.73 2.26 0.23 1.78 0.40 -0.91 -5.02 117.98 114.98 3cma s PHE 90 Ca -0.13 -0.65 0.12 0.00 -0.60 0.00 0.00 56.93 55.67 3cma s PHE 90 Cb -0.08 -2.02 0.36 0.00 0.51 0.00 0.00 43.02 41.79 3cma s PHE 90 CO -0.02 -0.18 1.60 1.49 0.70 0.00 0.00 175.22 178.81 3cma h GLU 91 N 1.02 0.00 -4.22 0.44 4.22 -1.96 -3.38 114.58 110.70 3cma h GLU 91 Ca -0.40 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 58.72 3cma h GLU 91 Cb 1.28 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 3cma h GLU 91 CO 0.61 0.60 -0.20 0.16 -2.18 0.00 0.00 179.01 178.00 3cma s ASP 92 N -6.75 1.15 -0.10 1.04 -4.77 -1.26 -4.91 116.67 101.06 3cma s ASP 92 Ca -0.01 -1.58 -0.02 0.00 -3.30 0.00 0.00 52.55 47.65 3cma s ASP 92 Cb 0.12 0.68 -0.03 0.00 -1.09 0.00 0.00 42.92 42.60 3cma s ASP 92 CO 0.75 -1.32 -0.02 0.20 0.70 0.00 0.00 175.17 175.49 3cma s ASN 93 N -3.28 5.04 0.05 2.11 0.01 -1.26 -2.50 114.94 115.11 3cma s ASN 93 Ca 0.32 0.05 -0.24 0.00 -0.71 0.00 0.00 52.86 52.28 3cma s ASN 93 Cb -0.01 -1.50 0.06 0.00 0.41 0.00 0.00 41.25 40.21 3cma s ASN 93 CO 0.23 0.32 0.55 0.00 -1.51 0.00 0.00 177.10 176.69 3cma s ALA 94 N -0.54 -1.42 0.03 0.60 0.00 -0.66 -1.76 121.76 118.02 3cma s ALA 94 Ca 0.09 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 3cma s ALA 94 Cb -0.12 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 3cma s ALA 94 CO 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 175.76 175.23 3cma s ALA 95 N -2.47 0.27 -0.18 0.00 0.00 0.44 -0.47 121.76 119.36 3cma s ALA 95 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3cma s ALA 95 Cb -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3cma s ALA 95 CO -0.02 -0.26 -0.09 0.08 0.00 0.00 0.00 175.76 175.48 3cma s VAL 96 N -2.57 3.23 0.28 0.00 1.01 -0.27 -1.56 120.40 120.51 3cma s VAL 96 Ca -0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 3cma s VAL 96 Cb -0.02 -2.41 -0.11 0.00 0.00 0.00 0.00 36.38 33.84 3cma s VAL 96 CO -0.05 0.48 1.51 -0.63 0.00 0.00 0.00 175.10 176.40 3cma s ILE 97 N 0.90 2.36 0.14 2.22 1.01 -1.26 -1.33 121.20 125.24 3cma s ILE 97 Ca -0.02 0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.01 3cma s ILE 97 Cb -0.15 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3cma s ILE 97 CO 0.00 0.05 -0.14 -0.69 0.00 0.00 0.00 174.94 174.16 3cma s VAL 98 N -0.11 1.46 0.00 2.92 1.01 -0.48 -1.79 120.40 123.40 3cma s VAL 98 Ca 0.60 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3cma s VAL 98 Cb -0.45 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3cma s VAL 98 CO 0.47 -0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.21 3cma n ASP 99 N 0.29 0.00 0.24 3.32 5.68 -0.49 -4.11 116.55 121.48 3cma n ASP 99 Ca -0.13 -0.50 0.08 0.00 -0.50 0.00 0.00 54.79 53.74 3cma n ASP 99 Cb 0.58 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.17 3cma n ASP 99 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3cma h GLU 100 N 0.00 0.00 -0.70 0.11 4.81 -1.99 -1.92 114.58 114.89 3cma h GLU 100 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3cma h GLU 100 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cma h GLU 100 CO 0.00 0.11 0.00 0.09 -0.73 0.00 0.00 179.01 178.48 3cma n ASN 101 N -4.23 4.23 -0.65 1.04 3.02 -1.26 -4.93 115.26 112.49 3cma n ASN 101 Ca -0.03 -2.19 -0.08 0.00 -0.03 0.00 0.00 54.58 52.25 3cma n ASN 101 Cb 0.19 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 3cma n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cma n GLU 102 N 1.40 -0.80 -3.40 3.52 1.02 -0.72 -5.00 120.64 116.65 3cma n GLU 102 Ca 0.25 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.75 3cma n GLU 102 Cb 0.73 -4.66 -0.06 0.00 -0.02 0.00 0.00 31.44 27.43 3cma n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cma s ASP 103 N -2.70 6.85 0.42 1.62 1.01 -1.26 -4.53 116.67 118.08 3cma s ASP 103 Ca 0.00 1.01 -0.26 0.00 0.71 0.00 0.00 52.55 54.01 3cma s ASP 103 Cb 0.00 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.55 3cma s ASP 103 CO 0.00 0.25 1.46 -2.16 0.21 0.00 0.00 175.17 174.92 3cma s PRO 104 N -0.74 3.87 0.10 8.23 0.04 -1.26 -1.40 135.00 143.84 3cma s PRO 104 Ca 0.26 2.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 3cma s PRO 104 Cb -0.17 -2.79 -0.17 0.00 0.04 0.00 0.00 34.50 31.40 3cma s PRO 104 CO 0.14 -0.70 1.23 -0.09 0.04 0.00 0.00 177.00 177.63 3cma h ARG 105 N 2.62 0.46 -7.74 4.56 2.43 -1.68 -3.46 114.38 111.57 3cma h ARG 105 Ca -0.51 -0.55 -0.45 0.00 -0.81 0.00 0.00 59.98 57.66 3cma h ARG 105 Cb 1.25 0.17 0.14 0.00 -0.42 0.00 0.00 29.97 31.11 3cma h ARG 105 CO 0.62 1.20 0.41 0.20 -1.51 0.00 0.00 179.97 180.89 3cma s GLY 106 N -4.44 1.71 -0.10 2.80 0.00 -1.26 -4.94 107.32 101.09 3cma s GLY 106 Ca -0.07 -0.99 0.13 0.00 0.00 0.00 0.00 44.72 43.79 3cma s GLY 106 CO 0.89 -0.32 0.45 2.41 0.00 0.00 0.00 173.10 176.53 3cma n THR 107 N -3.63 1.55 -4.11 0.90 -1.04 -1.26 -4.96 114.28 101.74 3cma n THR 107 Ca 0.12 -0.80 -0.14 0.00 -2.04 0.00 0.00 64.05 61.19 3cma n THR 107 Cb 0.60 -0.92 -0.13 0.00 -1.82 0.00 0.00 70.33 68.06 3cma n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cma s GLU 108 N -2.56 0.44 0.13 -2.82 2.02 -1.26 -5.02 118.70 109.62 3cma s GLU 108 Ca -0.08 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 3cma s GLU 108 Cb 0.07 -0.33 -0.06 0.00 0.10 0.00 0.00 34.13 33.91 3cma s GLU 108 CO 0.82 0.08 0.43 -0.51 0.02 0.00 0.00 175.26 176.10 3cma s LEU 109 N -0.67 4.29 -0.23 1.80 1.43 -1.24 -2.55 118.68 121.50 3cma s LEU 109 Ca -0.03 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 3cma s LEU 109 Cb -0.05 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 3cma s LEU 109 CO 0.00 0.08 0.00 -0.54 0.23 0.00 0.00 176.35 176.13 3cma s LYS 110 N -2.30 3.49 0.00 1.70 1.02 -0.53 -4.63 119.74 118.49 3cma s LYS 110 Ca 0.38 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.81 3cma s LYS 110 Cb -0.13 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3cma s LYS 110 CO 0.21 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3cma n GLY 111 N 4.82 -0.01 3.87 -3.33 0.00 -1.26 -4.69 105.19 104.59 3cma n GLY 111 Ca -0.17 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 3cma n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cma s PRO 112 N -1.22 2.95 0.14 1.61 0.04 -1.26 -4.40 135.00 132.86 3cma s PRO 112 Ca 0.00 0.55 0.06 0.00 0.04 0.00 0.00 61.00 61.65 3cma s PRO 112 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3cma s PRO 112 CO 0.00 -0.99 -0.13 0.42 0.04 0.00 0.00 177.00 176.34 3cma s ILE 113 N -3.29 1.33 0.09 0.56 1.01 -0.60 -4.82 121.20 115.47 3cma s ILE 113 Ca 0.58 -1.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 3cma s ILE 113 Cb -0.11 -1.70 -0.06 0.00 0.01 0.00 0.00 42.46 40.60 3cma s ILE 113 CO 0.53 -0.55 0.82 0.00 0.00 0.00 0.00 174.94 175.74 3cma s ALA 114 N -2.64 3.35 0.52 9.38 0.00 -1.21 0.04 121.76 131.21 3cma s ALA 114 Ca 0.13 0.38 0.28 0.00 0.00 0.00 0.00 51.96 52.75 3cma s ALA 114 Cb -0.02 -3.07 1.41 0.00 0.00 0.00 0.00 23.12 21.44 3cma s ALA 114 CO 0.03 0.08 1.92 0.07 0.00 0.00 0.00 175.76 177.86 3cma h ARG 115 N 5.37 0.05 -0.16 0.00 0.11 0.11 0.55 114.38 120.40 3cma h ARG 115 Ca -0.44 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.60 3cma h ARG 115 Cb 1.21 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 3cma h ARG 115 CO 0.70 0.03 -0.06 0.93 0.10 0.00 0.00 179.97 181.67 3cma h GLU 116 N 0.05 0.24 -0.46 0.08 3.07 -1.85 -2.37 114.58 113.34 3cma h GLU 116 Ca 0.38 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.06 3cma h GLU 116 Cb 1.44 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.30 3cma h GLU 116 CO -0.02 0.32 -0.24 0.28 -1.40 0.00 0.00 179.01 177.95 3cma h VAL 117 N 0.23 1.27 -1.01 3.13 2.07 -1.23 -2.86 116.25 117.85 3cma h VAL 117 Ca 0.05 -1.40 0.25 0.00 0.82 0.00 0.00 66.70 66.42 3cma h VAL 117 Cb 0.27 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 3cma h VAL 117 CO 0.01 0.48 0.65 0.00 0.02 0.00 0.00 177.57 178.73 3cma h ALA 118 N 0.89 2.13 -0.12 1.67 0.00 -1.42 0.16 119.26 122.57 3cma h ALA 118 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cma h ALA 118 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3cma h ALA 118 CO 0.07 -0.52 0.00 1.04 0.00 0.00 0.00 179.25 179.84 3cma n GLN 119 N -4.64 0.00 -0.02 0.00 6.02 -1.08 -3.17 117.38 114.49 3cma n GLN 119 Ca 0.24 0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 57.66 3cma n GLN 119 Cb 0.80 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 3cma n GLN 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cma h ARG 120 N 0.00 -0.17 -3.62 -1.09 3.08 -1.57 -3.35 114.38 107.67 3cma h ARG 120 Ca 0.00 0.01 -0.70 0.00 0.07 0.00 0.00 59.98 59.36 3cma h ARG 120 Cb 0.00 0.04 -0.35 0.00 0.08 0.00 0.00 29.97 29.74 3cma h ARG 120 CO 0.00 -0.11 -0.34 -0.06 -1.07 0.00 0.00 179.97 178.38 3cma s PHE 121 N -6.14 3.43 0.18 3.04 0.40 0.01 -4.94 117.98 113.96 3cma s PHE 121 Ca -0.14 -2.68 -0.10 0.00 -0.60 0.00 0.00 56.93 53.41 3cma s PHE 121 Cb 0.11 -3.23 0.08 0.00 0.51 0.00 0.00 43.02 40.50 3cma s PHE 121 CO 0.68 -0.85 1.69 0.78 0.70 0.00 0.00 175.22 178.22 3cma h GLY 122 N 7.08 1.09 1.14 4.36 0.00 -1.69 -0.83 103.07 114.23 3cma h GLY 122 Ca -0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 3cma h GLY 122 CO 0.72 0.64 -0.22 1.48 0.00 0.00 0.00 176.54 179.16 3cma h SER 123 N 0.94 1.01 -0.09 0.19 4.64 -1.89 0.33 113.55 118.67 3cma h SER 123 Ca 0.20 -0.38 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3cma h SER 123 Cb 0.36 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3cma h SER 123 CO 0.00 1.17 -0.00 0.58 -0.87 0.00 0.00 176.83 177.71 3cma h VAL 124 N 0.85 0.93 0.30 0.95 2.07 -1.75 -2.91 116.25 116.69 3cma h VAL 124 Ca 0.11 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3cma h VAL 124 Cb 0.79 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3cma h VAL 124 CO 0.07 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 177.32 3cma h ALA 125 N 1.08 -0.71 0.00 1.67 0.00 -0.73 -2.70 119.26 117.86 3cma h ALA 125 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cma h ALA 125 Cb 0.05 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cma h ALA 125 CO -0.07 -0.94 0.00 -1.13 0.00 0.00 0.00 179.25 177.10 3cma n SER 126 N -5.45 1.07 0.00 0.00 3.41 0.11 0.70 113.62 113.46 3cma n SER 126 Ca -0.09 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3cma n SER 126 Cb 0.35 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3cma n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cma n ALA 127 N 1.31 0.00 -2.11 7.33 0.00 -1.02 -4.99 120.51 121.03 3cma n ALA 127 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3cma n ALA 127 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3cma n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cma s ALA 128 N 0.00 3.47 0.01 0.00 0.00 0.22 -3.68 121.76 121.78 3cma s ALA 128 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 3cma s ALA 128 Cb 0.00 -3.45 -0.34 0.00 0.00 0.00 0.00 23.12 19.33 3cma s ALA 128 CO 0.00 -0.46 0.98 1.15 0.00 0.00 0.00 175.76 177.43 3cma h THR 129 N 3.92 1.35 -3.79 0.00 2.02 -1.82 -3.45 112.91 111.14 3cma h THR 129 Ca -0.44 -2.63 -0.53 0.00 0.77 0.00 0.00 66.41 63.59 3cma h THR 129 Cb 1.21 3.06 -0.32 0.00 -1.74 0.00 0.00 68.15 70.37 3cma h THR 129 CO 0.78 0.78 -0.82 -0.04 0.37 0.00 0.00 175.52 176.58 3cma s MET 130 N -2.59 1.60 -0.24 6.66 -1.94 -1.26 -5.10 119.30 116.42 3cma s MET 130 Ca -0.10 -0.51 -0.00 0.00 -1.71 0.00 0.00 55.69 53.36 3cma s MET 130 Cb 0.03 -1.39 0.07 0.00 2.01 0.00 0.00 34.83 35.55 3cma s MET 130 CO 0.91 0.18 0.01 0.42 -0.01 0.00 0.00 175.02 176.53 3cma s ILE 131 N 0.18 1.15 -2.82 2.53 1.01 -1.26 -1.56 121.20 120.43 3cma s ILE 131 Ca -0.06 -1.13 0.23 0.00 0.00 0.00 0.00 60.65 59.69 3cma s ILE 131 Cb -0.12 -1.60 0.18 0.00 0.01 0.00 0.00 42.46 40.93 3cma s ILE 131 CO 0.02 -0.28 1.21 0.52 0.00 0.00 0.00 174.94 176.42