#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4k s LEU 2 N 0.00 4.14 -0.11 -1.84 0.20 -1.26 -5.01 118.68 114.79 1a4k s LEU 2 Ca 0.00 0.46 -0.13 0.00 0.69 0.00 0.00 54.13 55.15 1a4k s LEU 2 Cb 0.00 -2.89 -0.05 0.00 -0.43 0.00 0.00 46.19 42.83 1a4k s LEU 2 CO 0.00 -0.53 0.29 0.54 -0.29 0.00 0.00 176.35 176.35 1a4k s VAL 3 N 2.72 5.28 -0.23 1.68 0.11 -1.26 -4.93 120.40 123.78 1a4k s VAL 3 Ca 0.27 0.54 -0.08 0.00 -2.93 0.00 0.00 61.98 59.79 1a4k s VAL 3 Cb -0.15 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1a4k s VAL 3 CO 0.12 0.49 0.08 -0.04 -3.33 0.00 0.00 175.10 172.42 1a4k s MET 4 N -0.24 3.79 -0.25 1.54 -1.94 -1.26 -2.70 119.30 118.24 1a4k s MET 4 Ca 0.18 -0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1a4k s MET 4 Cb -0.14 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.41 1a4k s MET 4 CO 0.06 -0.03 -0.06 0.99 -0.01 0.00 0.00 175.02 175.97 1a4k s THR 5 N 1.21 2.85 -0.21 2.05 2.01 0.16 -4.28 115.64 119.43 1a4k s THR 5 Ca 0.05 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.81 1a4k s THR 5 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1a4k s THR 5 CO 0.04 0.18 0.50 -1.10 -0.69 0.00 0.00 174.62 173.54 1a4k s GLN 6 N 1.31 4.17 0.00 4.92 -0.21 -1.26 -0.55 119.66 128.04 1a4k s GLN 6 Ca -0.00 0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.74 1a4k s GLN 6 Cb -0.17 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1a4k s GLN 6 CO -0.04 -0.16 0.60 2.41 -2.12 0.00 0.00 175.29 175.97 1a4k n THR 7 N 4.61 0.00 -2.90 -0.19 -1.04 1.00 -4.46 114.28 111.29 1a4k n THR 7 Ca -0.05 1.10 -0.41 0.00 -2.04 0.00 0.00 64.05 62.65 1a4k n THR 7 Cb 0.50 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.05 1a4k n THR 7 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1a4k s PRO 8 N -1.39 4.40 0.17 -2.82 0.05 -1.26 -4.88 135.00 129.27 1a4k s PRO 8 Ca 0.00 1.06 0.20 0.00 0.05 0.00 0.00 61.00 62.31 1a4k s PRO 8 Cb 0.00 -3.50 -0.03 0.00 0.05 0.00 0.00 34.50 31.02 1a4k s PRO 8 CO 0.00 -0.13 1.02 -0.07 0.05 0.00 0.00 177.00 177.87 1a4k h LEU 9 N 7.44 0.00 -7.83 -3.56 3.38 -1.83 -3.41 115.31 109.50 1a4k h LEU 9 Ca -0.36 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.14 1a4k h LEU 9 Cb 1.17 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.58 1a4k h LEU 9 CO 0.79 0.26 -0.80 -0.55 0.09 0.00 0.00 178.44 178.24 1a4k s SER 10 N -5.65 1.53 -0.41 -0.43 0.15 -1.26 -1.87 113.70 105.76 1a4k s SER 10 Ca -0.01 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1a4k s SER 10 Cb 0.09 -0.67 0.13 0.00 -1.71 0.00 0.00 66.02 63.86 1a4k s SER 10 CO 0.79 -0.03 0.22 -0.22 1.20 0.00 0.00 173.24 175.19 1a4k s LEU 11 N 0.98 2.40 -0.08 3.45 0.20 -0.09 -4.94 118.68 120.60 1a4k s LEU 11 Ca -0.09 -2.44 -0.29 0.00 0.69 0.00 0.00 54.13 52.00 1a4k s LEU 11 Cb -0.15 -0.93 -0.02 0.00 -0.43 0.00 0.00 46.19 44.67 1a4k s LEU 11 CO 0.00 -0.29 0.95 -2.84 -0.29 0.00 0.00 176.35 173.88 1a4k s PRO 12 N 0.61 4.45 -0.04 0.98 0.02 -1.26 -1.31 135.00 138.47 1a4k s PRO 12 Ca 0.17 1.31 -0.06 0.00 0.02 0.00 0.00 61.00 62.44 1a4k s PRO 12 Cb -0.23 -3.51 0.01 0.00 0.02 0.00 0.00 34.50 30.78 1a4k s PRO 12 CO -0.02 -0.20 0.15 0.54 -0.33 0.00 0.00 177.00 177.13 1a4k s VAL 13 N 1.61 0.03 0.45 3.83 0.11 0.17 -4.90 120.40 121.71 1a4k s VAL 13 Ca 0.47 -0.27 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 1a4k s VAL 13 Cb -0.19 -0.31 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 1a4k s VAL 13 CO 0.20 -0.15 1.04 -0.44 -3.33 0.00 0.00 175.10 172.43 1a4k s SER 14 N -0.49 6.51 0.33 3.54 0.01 -1.26 -1.10 113.70 121.25 1a4k s SER 14 Ca -0.06 1.98 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 1a4k s SER 14 Cb -0.04 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1a4k s SER 14 CO 0.01 -0.67 1.45 -0.76 0.41 0.00 0.00 173.24 173.68 1a4k s LEU 15 N -3.14 4.36 0.00 2.44 1.43 -1.26 -1.71 118.68 120.80 1a4k s LEU 15 Ca 0.63 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 56.62 1a4k s LEU 15 Cb -0.19 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1a4k s LEU 15 CO 0.23 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1a4k n GLY 16 N 1.05 2.87 3.95 -3.19 0.00 -0.28 -4.86 105.19 104.72 1a4k n GLY 16 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1a4k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4k s ASP 17 N -1.41 4.88 0.26 1.61 1.01 -0.69 -3.95 116.67 118.37 1a4k s ASP 17 Ca 0.00 0.27 -0.06 0.00 0.71 0.00 0.00 52.55 53.47 1a4k s ASP 17 Cb 0.00 -0.96 -0.06 0.00 1.01 0.00 0.00 42.92 42.92 1a4k s ASP 17 CO 0.00 -1.51 0.53 -1.58 0.21 0.00 0.00 175.17 172.82 1a4k s GLN 18 N -5.12 3.66 -0.01 8.23 0.74 -1.26 -1.08 119.66 124.81 1a4k s GLN 18 Ca 0.60 0.03 0.01 0.00 0.05 0.00 0.00 55.36 56.05 1a4k s GLN 18 Cb -0.10 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.34 1a4k s GLN 18 CO 0.43 0.27 -0.04 0.00 -0.55 0.00 0.00 175.29 175.40 1a4k s ALA 19 N -1.98 0.43 -0.08 1.58 0.00 -0.45 -4.94 121.76 116.32 1a4k s ALA 19 Ca 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1a4k s ALA 19 Cb -0.11 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1a4k s ALA 19 CO 0.28 0.06 -0.13 0.45 0.00 0.00 0.00 175.76 176.42 1a4k s SER 20 N 0.20 1.93 -0.14 0.00 0.15 -1.26 -0.39 113.70 114.20 1a4k s SER 20 Ca -0.02 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1a4k s SER 20 Cb -0.06 -0.88 -0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1a4k s SER 20 CO -0.00 0.02 -0.14 -0.63 1.20 0.00 0.00 173.24 173.68 1a4k s ILE 21 N 0.78 2.84 -0.09 6.45 1.01 0.22 -4.88 121.20 127.53 1a4k s ILE 21 Ca -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1a4k s ILE 21 Cb -0.15 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1a4k s ILE 21 CO 0.02 0.52 -0.00 -0.55 0.00 0.00 0.00 174.94 174.93 1a4k s SER 22 N 0.55 5.17 -0.07 3.58 0.15 -1.26 -0.28 113.70 121.54 1a4k s SER 22 Ca -0.09 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.70 1a4k s SER 22 Cb -0.16 -1.48 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 1a4k s SER 22 CO 0.04 0.36 -0.16 0.00 1.20 0.00 0.00 173.24 174.67 1a4k s ARG 24 N 0.51 1.28 0.28 0.00 3.52 0.28 -0.53 118.95 124.29 1a4k s ARG 24 Ca -0.15 -0.51 0.11 0.00 -0.13 0.00 0.00 55.73 55.06 1a4k s ARG 24 Cb -0.16 -1.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.98 1a4k s ARG 24 CO 0.05 0.27 -0.16 -1.54 -0.81 0.00 0.00 175.30 173.11 1a4k s SER 25 N -0.18 3.80 0.46 -2.12 1.04 -0.70 0.39 113.70 116.39 1a4k s SER 25 Ca 0.02 -0.95 0.27 0.00 0.48 0.00 0.00 55.95 55.77 1a4k s SER 25 Cb -0.07 -0.42 0.71 0.00 0.10 0.00 0.00 66.02 66.34 1a4k s SER 25 CO 0.00 0.03 1.74 0.77 0.98 0.00 0.00 173.24 176.76 1a4k h SER 26 N 2.18 0.00 -4.32 7.02 4.64 -1.85 -3.45 113.55 117.78 1a4k h SER 26 Ca -0.41 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.42 1a4k h SER 26 Cb 1.26 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.11 1a4k h SER 26 CO 0.60 0.00 -0.81 -1.10 -0.87 0.00 0.00 176.83 174.65 1a4k s GLN 27 N -3.36 1.05 0.43 4.77 -0.21 -1.26 -5.04 119.66 116.04 1a4k s GLN 27 Ca 0.05 -0.88 -0.26 0.00 0.02 0.00 0.00 55.36 54.29 1a4k s GLN 27 Cb 0.07 -1.11 -0.09 0.00 1.00 0.00 0.00 33.01 32.87 1a4k s GLN 27 CO 0.62 0.27 1.43 0.45 -2.12 0.00 0.00 175.29 175.94 1a4k s SER 1027N -1.33 5.99 0.00 5.90 0.15 -1.26 -4.70 113.70 118.46 1a4k s SER 1027Ca 0.03 2.93 0.26 0.00 0.70 0.00 0.00 55.95 59.87 1a4k s SER 1027Cb -0.09 -2.66 0.52 0.00 -1.71 0.00 0.00 66.02 62.09 1a4k s SER 1027CO 0.02 -1.10 1.45 0.18 1.20 0.00 0.00 173.24 174.99 1a4k n LEU 2027N -0.04 2.38 -4.67 3.45 4.77 0.24 -4.87 117.00 118.25 1a4k n LEU 2027Ca 0.04 -0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1a4k n LEU 2027Cb 0.41 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1a4k n LEU 2027CO 0.60 0.40 1.20 -0.22 -1.33 0.00 0.00 177.39 178.03 1a4k s LEU 3027N -2.02 4.29 0.43 2.23 0.20 -1.26 -3.63 118.68 118.93 1a4k s LEU 3027Ca 0.32 2.07 -0.12 0.00 0.69 0.00 0.00 54.13 57.08 1a4k s LEU 3027Cb 0.20 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.35 1a4k s LEU 3027CO 0.32 -0.80 0.83 -2.28 -0.29 0.00 0.00 176.35 174.13 1a4k s HIS 4027N 3.18 3.46 0.53 5.38 5.65 0.52 -4.94 115.29 129.08 1a4k s HIS 4027Ca 0.65 1.17 0.39 0.00 0.25 0.00 0.00 55.06 57.53 1a4k s HIS 4027Cb -0.30 -2.55 2.08 0.00 -1.18 0.00 0.00 32.58 30.64 1a4k s HIS 4027CO 0.25 -0.18 2.26 0.66 -0.65 0.00 0.00 174.74 177.09 1a4k h SER 5027N 1.19 0.00 -0.25 9.88 4.64 -1.94 0.25 113.55 127.32 1a4k h SER 5027Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1a4k h SER 5027Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1a4k h SER 5027CO 0.63 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 1a4k n ASN 28 N -3.22 2.78 0.00 4.97 0.23 -1.26 -4.89 115.26 113.87 1a4k n ASN 28 Ca -0.02 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.70 1a4k n ASN 28 Cb 0.13 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 1a4k n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a4k n GLY 29 N 0.36 2.88 3.87 4.83 0.00 0.89 -5.01 105.19 113.01 1a4k n GLY 29 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1a4k n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a4k s ASN 30 N -2.33 6.58 -0.36 1.61 0.01 -1.25 -4.68 114.94 114.52 1a4k s ASN 30 Ca 0.00 1.08 0.03 0.00 -0.71 0.00 0.00 52.86 53.26 1a4k s ASN 30 Cb 0.00 -2.30 0.10 0.00 0.41 0.00 0.00 41.25 39.47 1a4k s ASN 30 CO 0.00 -0.29 0.08 -0.89 -1.51 0.00 0.00 177.10 174.49 1a4k s THR 31 N -2.17 2.38 -1.36 1.60 2.01 -1.26 0.20 115.64 117.03 1a4k s THR 31 Ca 0.50 -2.41 -0.14 0.00 0.31 0.00 0.00 61.69 59.96 1a4k s THR 31 Cb -0.10 -2.74 0.09 0.00 0.01 0.00 0.00 72.50 69.75 1a4k s THR 31 CO 0.27 -0.62 1.98 -1.22 -0.69 0.00 0.00 174.62 174.33 1a4k n TYR 32 N 4.18 3.75 -4.05 4.92 4.01 -1.24 -3.80 117.16 124.94 1a4k n TYR 32 Ca 0.04 -2.94 -0.33 0.00 -0.16 0.00 0.00 57.90 54.50 1a4k n TYR 32 Cb 0.41 -2.40 -0.15 0.00 -0.31 0.00 0.00 39.34 36.89 1a4k n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a4k s LEU 33 N 2.01 2.95 0.41 7.72 1.98 -1.26 -0.94 118.68 131.55 1a4k s LEU 33 Ca 0.46 -1.00 0.07 0.00 -2.89 0.00 0.00 54.13 50.78 1a4k s LEU 33 Cb 0.10 -1.56 -0.06 0.00 0.66 0.00 0.00 46.19 45.32 1a4k s LEU 33 CO -0.03 -0.11 0.12 -1.00 -1.89 0.00 0.00 176.35 173.44 1a4k s HIS 34 N 1.23 2.58 -0.03 5.38 3.76 0.55 -0.28 115.29 128.47 1a4k s HIS 34 Ca -0.02 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1a4k s HIS 34 Cb -0.17 -1.90 0.01 0.00 1.11 0.00 0.00 32.58 31.64 1a4k s HIS 34 CO -0.07 0.28 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.45 1a4k s TRP 35 N -2.64 0.82 0.16 1.40 0.52 0.05 -1.10 118.94 118.15 1a4k s TRP 35 Ca 0.39 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.36 1a4k s TRP 35 Cb 0.06 -0.64 -0.04 0.00 -1.15 0.00 0.00 33.47 31.70 1a4k s TRP 35 CO 0.21 -0.14 -0.15 0.71 0.02 0.00 0.00 176.95 177.60 1a4k s TYR 36 N 0.52 1.58 -0.09 -1.98 1.51 -0.19 -0.76 117.35 117.93 1a4k s TYR 36 Ca -0.07 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 1a4k s TYR 36 Cb -0.11 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1a4k s TYR 36 CO 0.01 0.25 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.42 1a4k s LEU 37 N -2.89 1.46 -0.35 -1.29 2.96 -0.27 -1.32 118.68 116.98 1a4k s LEU 37 Ca 0.16 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1a4k s LEU 37 Cb -0.03 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.83 1a4k s LEU 37 CO 0.05 -0.03 0.16 -1.58 -1.32 0.00 0.00 176.35 173.62 1a4k s GLN 38 N 1.15 2.89 0.56 1.98 0.74 0.55 -1.31 119.66 126.22 1a4k s GLN 38 Ca -0.05 -1.02 -0.15 0.00 0.05 0.00 0.00 55.36 54.19 1a4k s GLN 38 Cb -0.14 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.30 1a4k s GLN 38 CO -0.02 -0.62 1.01 0.15 -0.55 0.00 0.00 175.29 175.26 1a4k s LYS 39 N 1.52 3.76 0.07 1.67 1.02 -1.26 -0.94 119.74 125.58 1a4k s LYS 39 Ca 0.02 0.91 -0.36 0.00 0.02 0.00 0.00 55.97 56.56 1a4k s LYS 39 Cb -0.19 -2.11 -0.16 0.00 -0.52 0.00 0.00 37.83 34.86 1a4k s LYS 39 CO 0.05 -0.43 1.47 -2.30 -0.92 0.00 0.00 175.35 173.22 1a4k n PRO 40 N -2.02 1.48 -3.72 -1.68 -0.02 -1.26 -1.72 135.00 126.05 1a4k n PRO 40 Ca 0.07 0.53 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 1a4k n PRO 40 Cb 0.54 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1a4k n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4k n GLY 41 N 3.00 -0.47 3.32 -1.23 0.00 -1.26 -4.98 105.19 103.56 1a4k n GLY 41 Ca 0.19 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1a4k n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4k s GLN 42 N -6.30 1.13 0.41 1.61 -0.21 -0.70 -5.16 119.66 110.44 1a4k s GLN 42 Ca 0.48 -1.20 -0.12 0.00 0.02 0.00 0.00 55.36 54.54 1a4k s GLN 42 Cb -0.23 0.36 -0.07 0.00 1.00 0.00 0.00 33.01 34.07 1a4k s GLN 42 CO 0.78 -0.41 0.80 -1.12 -2.12 0.00 0.00 175.29 173.23 1a4k s SER 43 N -2.98 6.59 0.62 5.90 0.01 -1.26 -4.55 113.70 118.04 1a4k s SER 43 Ca 0.18 1.24 -0.18 0.00 1.31 0.00 0.00 55.95 58.50 1a4k s SER 43 Cb 0.04 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1a4k s SER 43 CO 0.00 -0.39 1.22 -2.84 0.41 0.00 0.00 173.24 171.64 1a4k s PRO 44 N -3.71 2.77 -0.01 12.44 0.02 -1.26 -4.45 135.00 140.80 1a4k s PRO 44 Ca 0.53 1.85 0.05 0.00 0.02 0.00 0.00 61.00 63.46 1a4k s PRO 44 Cb -0.10 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1a4k s PRO 44 CO 0.28 -1.37 -0.17 0.15 -0.33 0.00 0.00 177.00 175.56 1a4k s LYS 45 N -3.44 1.35 0.07 5.54 3.01 -0.43 -4.94 119.74 120.90 1a4k s LYS 45 Ca 0.78 -0.61 -0.31 0.00 -1.01 0.00 0.00 55.97 54.82 1a4k s LYS 45 Cb -0.31 -1.31 -0.06 0.00 -1.01 0.00 0.00 37.83 35.13 1a4k s LYS 45 CO 0.36 0.36 1.28 -1.17 0.51 0.00 0.00 175.35 176.69 1a4k s LEU 46 N -0.44 4.36 -0.11 3.17 2.96 -1.26 -1.12 118.68 126.24 1a4k s LEU 46 Ca 0.06 2.12 -0.08 0.00 -0.22 0.00 0.00 54.13 56.01 1a4k s LEU 46 Cb -0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1a4k s LEU 46 CO -0.01 -0.55 -0.19 0.18 -1.32 0.00 0.00 176.35 174.46 1a4k n LEU 47 N 4.06 1.26 -4.08 -0.68 4.77 0.06 -4.72 117.00 117.67 1a4k n LEU 47 Ca 0.10 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 1a4k n LEU 47 Cb 0.45 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1a4k n LEU 47 CO 0.57 0.00 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.54 1a4k s ILE 48 N -2.36 1.03 0.12 -0.08 -1.09 -1.11 -2.01 121.20 115.68 1a4k s ILE 48 Ca -0.19 -0.54 0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1a4k s ILE 48 Cb 0.06 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 40.04 1a4k s ILE 48 CO 0.25 0.29 -0.16 -0.72 -1.23 0.00 0.00 174.94 173.38 1a4k s TYR 49 N -0.20 1.50 -1.26 3.97 -0.85 0.14 -0.77 117.35 119.87 1a4k s TYR 49 Ca 0.03 -0.51 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 1a4k s TYR 49 Cb -0.06 -0.79 -0.00 0.00 0.38 0.00 0.00 41.96 41.48 1a4k s TYR 49 CO -0.00 0.17 0.64 1.63 -1.52 0.00 0.00 175.55 176.47 1a4k n LYS 50 N 0.70 -2.62 0.00 -3.49 5.02 -1.12 -0.96 118.16 115.69 1a4k n LYS 50 Ca -0.17 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1a4k n LYS 50 Cb 0.56 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 31.10 1a4k n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a4k n VAL 51 N -4.27 0.00 -0.93 -0.18 0.31 0.62 -4.19 118.33 109.69 1a4k n VAL 51 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1a4k n VAL 51 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1a4k n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a4k n SER 52 N 2.23 0.09 -4.74 4.52 3.41 -1.18 -3.49 113.62 114.45 1a4k n SER 52 Ca 0.00 -1.02 -0.40 0.00 -0.26 0.00 0.00 58.87 57.19 1a4k n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1a4k n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1a4k s ASN 53 N -0.02 7.16 -0.10 4.04 0.01 -0.13 -4.51 114.94 121.39 1a4k s ASN 53 Ca 0.00 1.38 -0.24 0.00 -0.71 0.00 0.00 52.86 53.29 1a4k s ASN 53 Cb 0.00 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 1a4k s ASN 53 CO 0.00 -0.01 0.76 -0.13 -1.51 0.00 0.00 177.10 176.21 1a4k s ARG 54 N 0.11 4.40 0.85 -0.60 0.52 -1.26 0.23 118.95 123.20 1a4k s ARG 54 Ca 0.38 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.43 1a4k s ARG 54 Cb -0.20 -3.49 0.10 0.00 0.52 0.00 0.00 34.95 31.88 1a4k s ARG 54 CO 0.22 -0.07 1.09 0.12 0.02 0.00 0.00 175.30 176.68 1a4k s PHE 55 N 1.26 2.51 0.23 -0.53 5.36 -0.85 -4.94 117.98 121.02 1a4k s PHE 55 Ca 0.39 1.23 -0.31 0.00 -0.96 0.00 0.00 56.93 57.28 1a4k s PHE 55 Cb -0.18 -3.14 -0.10 0.00 -0.34 0.00 0.00 43.02 39.26 1a4k s PHE 55 CO 0.17 -2.14 1.52 -1.54 -1.46 0.00 0.00 175.22 171.77 1a4k s SER 56 N -3.60 6.56 0.00 6.13 1.04 -1.26 -2.39 113.70 120.18 1a4k s SER 56 Ca 0.62 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.78 1a4k s SER 56 Cb -0.17 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1a4k s SER 56 CO 0.56 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1a4k n GLY 57 N 2.70 1.13 3.69 7.32 0.00 -1.26 -5.03 105.19 113.73 1a4k n GLY 57 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1a4k n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4k s VAL 58 N -2.56 5.02 0.90 1.61 1.01 -1.01 -5.04 120.40 120.33 1a4k s VAL 58 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 1a4k s VAL 58 Cb 0.00 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1a4k s VAL 58 CO 0.00 0.16 1.02 -0.81 0.00 0.00 0.00 175.10 175.47 1a4k n PRO 59 N 4.53 -0.31 0.00 2.72 -0.04 -1.26 -4.88 135.00 135.76 1a4k n PRO 59 Ca -0.01 -0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1a4k n PRO 59 Cb 0.50 -2.29 0.75 0.00 -0.04 0.00 0.00 33.50 32.43 1a4k n PRO 59 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a4k n ASP 60 N -3.49 0.00 0.18 3.54 8.00 -1.26 -2.79 116.55 120.72 1a4k n ASP 60 Ca 0.11 -0.44 0.14 0.00 0.71 0.00 0.00 54.79 55.31 1a4k n ASP 60 Cb 0.52 -0.16 0.48 0.00 -0.02 0.00 0.00 41.12 41.94 1a4k n ASP 60 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1a4k h ARG 61 N 0.00 0.00 -5.08 -1.24 3.08 -1.91 -3.42 114.38 105.81 1a4k h ARG 61 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1a4k h ARG 61 Cb 0.15 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.04 1a4k h ARG 61 CO 0.00 0.00 -0.25 -0.06 -1.07 0.00 0.00 179.97 178.59 1a4k s PHE 62 N -3.35 3.22 0.03 3.04 0.08 -1.12 -0.60 117.98 119.28 1a4k s PHE 62 Ca 0.05 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.34 1a4k s PHE 62 Cb 0.09 -2.63 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 1a4k s PHE 62 CO 0.51 -0.32 -0.07 -1.54 -0.10 0.00 0.00 175.22 173.70 1a4k s SER 63 N 1.69 0.76 0.13 1.36 1.04 -0.64 -4.92 113.70 113.12 1a4k s SER 63 Ca 0.14 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1a4k s SER 63 Cb -0.16 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1a4k s SER 63 CO 0.11 -0.11 -0.17 -0.83 0.98 0.00 0.00 173.24 173.22 1a4k s GLY 64 N -1.05 1.21 0.27 7.32 0.00 -1.26 0.09 107.32 113.89 1a4k s GLY 64 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1a4k s GLY 64 CO 0.00 -1.37 0.34 -1.14 0.00 0.00 0.00 173.10 170.93 1a4k n SER 65 N 0.64 -0.93 0.00 1.64 3.41 0.35 -4.30 113.62 114.43 1a4k n SER 65 Ca -0.16 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1a4k n SER 65 Cb 0.56 1.80 0.00 0.00 -0.26 0.00 0.00 64.21 66.31 1a4k n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4k n GLY 66 N -0.46 0.56 0.00 5.00 0.00 -1.26 -1.51 105.19 107.52 1a4k n GLY 66 Ca 0.02 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1a4k n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a4k n SER 67 N 0.03 0.00 0.00 1.61 3.41 -0.65 -4.98 113.62 113.04 1a4k n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a4k n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a4k n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4k n GLY 68 N -0.29 1.54 0.00 5.00 0.00 -1.26 -3.15 105.19 107.03 1a4k n GLY 68 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1a4k n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a4k n THR 69 N 0.00 0.00 -4.71 2.61 -2.24 -1.26 0.81 114.28 109.48 1a4k n THR 69 Ca 0.00 -0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 61.10 1a4k n THR 69 Cb 0.00 1.20 -0.17 0.00 -2.10 0.00 0.00 70.33 69.26 1a4k n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a4k s ASP 70 N -0.04 2.39 0.08 3.42 -1.08 -1.19 -1.73 116.67 118.52 1a4k s ASP 70 Ca 0.00 -0.42 0.01 0.00 -0.52 0.00 0.00 52.55 51.62 1a4k s ASP 70 Cb 0.00 -1.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.33 1a4k s ASP 70 CO 0.00 0.06 -0.06 -0.36 0.52 0.00 0.00 175.17 175.33 1a4k s PHE 71 N 0.69 0.75 -0.07 -5.34 0.40 0.31 -1.64 117.98 113.08 1a4k s PHE 71 Ca -0.13 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.30 1a4k s PHE 71 Cb -0.16 -0.46 0.04 0.00 0.51 0.00 0.00 43.02 42.95 1a4k s PHE 71 CO 0.03 -0.19 0.17 0.99 0.70 0.00 0.00 175.22 176.92 1a4k s THR 72 N -3.22 -0.04 -0.14 0.64 2.01 -0.57 -0.92 115.64 113.40 1a4k s THR 72 Ca 0.06 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1a4k s THR 72 Cb 0.03 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1a4k s THR 72 CO -0.05 0.06 0.04 -0.22 -0.69 0.00 0.00 174.62 173.75 1a4k s LEU 73 N 0.97 3.72 -0.06 4.42 2.96 0.62 -0.50 118.68 130.80 1a4k s LEU 73 Ca -0.07 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1a4k s LEU 73 Cb -0.09 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1a4k s LEU 73 CO -0.05 0.26 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.47 1a4k s LYS 74 N -0.17 2.50 -0.21 1.98 1.02 0.11 -0.61 119.74 124.37 1a4k s LYS 74 Ca 0.06 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.22 1a4k s LYS 74 Cb -0.12 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1a4k s LYS 74 CO 0.02 0.30 -0.13 0.42 -0.92 0.00 0.00 175.35 175.03 1a4k s ILE 75 N 0.02 2.53 -0.09 2.17 1.01 0.48 -1.62 121.20 125.70 1a4k s ILE 75 Ca -0.08 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 1a4k s ILE 75 Cb -0.14 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1a4k s ILE 75 CO 0.05 0.41 0.39 -0.44 0.00 0.00 0.00 174.94 175.35 1a4k s SER 76 N 1.33 6.65 -0.39 3.58 0.01 0.23 -1.34 113.70 123.77 1a4k s SER 76 Ca 0.03 0.77 -0.21 0.00 1.31 0.00 0.00 55.95 57.85 1a4k s SER 76 Cb -0.14 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.88 1a4k s SER 76 CO -0.09 0.15 0.51 0.54 0.41 0.00 0.00 173.24 174.76 1a4k n ARG 77 N 2.98 -2.16 -1.77 12.44 1.74 -1.14 -4.79 116.66 123.95 1a4k n ARG 77 Ca -0.11 1.83 -0.41 0.00 -0.77 0.00 0.00 57.85 58.39 1a4k n ARG 77 Cb 0.52 -3.93 -0.00 0.00 -1.02 0.00 0.00 32.46 28.03 1a4k n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a4k n VAL 78 N -0.01 1.87 -1.73 1.55 0.31 -0.25 -4.60 118.33 115.47 1a4k n VAL 78 Ca 0.02 -0.47 0.06 0.00 -0.01 0.00 0.00 64.34 63.94 1a4k n VAL 78 Cb 0.50 -1.96 0.15 0.00 -0.91 0.00 0.00 33.84 31.61 1a4k n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a4k n GLU 79 N 0.67 1.11 0.00 5.55 1.02 -1.26 -1.12 120.64 126.60 1a4k n GLU 79 Ca 0.02 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 1a4k n GLU 79 Cb 0.38 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1a4k n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a4k n ALA 80 N -0.76 0.00 1.62 0.62 0.00 -1.26 -4.36 120.51 116.37 1a4k n ALA 80 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1a4k n ALA 80 Cb 0.78 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.95 1a4k n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a4k n GLU 81 N 0.00 0.81 0.00 0.00 0.28 -1.26 -2.17 120.64 118.30 1a4k n GLU 81 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1a4k n GLU 81 Cb 0.00 -1.47 0.43 0.00 1.43 0.00 0.00 31.44 31.83 1a4k n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1a4k n ASP 82 N -0.97 1.21 -4.77 -1.84 8.00 -1.26 -4.92 116.55 112.00 1a4k n ASP 82 Ca 0.18 -1.12 -0.41 0.00 0.71 0.00 0.00 54.79 54.15 1a4k n ASP 82 Cb 0.08 0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 1a4k n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a4k s LEU 83 N -2.32 4.36 0.00 0.64 1.43 -0.92 -4.82 118.68 117.05 1a4k s LEU 83 Ca 0.29 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 56.30 1a4k s LEU 83 Cb 0.20 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1a4k s LEU 83 CO 0.45 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1a4k n GLY 84 N 0.67 0.28 3.21 -3.19 0.00 -1.26 -4.58 105.19 100.32 1a4k n GLY 84 Ca 0.01 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1a4k n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4k s VAL 85 N -2.66 2.43 -0.17 1.61 1.01 -0.12 -1.61 120.40 120.88 1a4k s VAL 85 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1a4k s VAL 85 Cb 0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1a4k s VAL 85 CO 0.00 0.52 0.19 -0.31 0.00 0.00 0.00 175.10 175.50 1a4k s TYR 86 N 0.99 3.46 0.01 5.22 1.51 0.00 -0.33 117.35 128.21 1a4k s TYR 86 Ca -0.02 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 1a4k s TYR 86 Cb -0.15 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1a4k s TYR 86 CO -0.04 0.35 -0.03 -0.59 -1.11 0.00 0.00 175.55 174.13 1a4k s PHE 87 N 0.15 0.24 0.50 2.71 -0.71 -0.43 0.04 117.98 120.48 1a4k s PHE 87 Ca 0.12 -0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 55.78 1a4k s PHE 87 Cb -0.12 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.50 1a4k s PHE 87 CO 0.01 -0.04 0.82 0.00 -1.34 0.00 0.00 175.22 174.67 1a4k s SER 89 N -4.12 -0.26 -0.09 0.00 0.15 -0.26 -1.32 113.70 107.80 1a4k s SER 89 Ca 0.48 0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.65 1a4k s SER 89 Cb -0.10 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1a4k s SER 89 CO 0.46 -0.10 -0.11 -1.58 1.20 0.00 0.00 173.24 173.11 1a4k s GLN 90 N 0.33 2.99 -0.04 5.44 -0.44 0.17 -0.33 119.66 127.78 1a4k s GLN 90 Ca -0.02 -0.64 0.07 0.00 -2.50 0.00 0.00 55.36 52.27 1a4k s GLN 90 Cb -0.03 -2.57 0.11 0.00 -1.64 0.00 0.00 33.01 28.87 1a4k s GLN 90 CO -0.01 0.45 1.05 0.28 0.50 0.00 0.00 175.29 177.56 1a4k n VAL 91 N 2.85 0.59 0.07 1.34 0.31 -0.11 -1.55 118.33 121.83 1a4k n VAL 91 Ca -0.18 -0.75 -0.18 0.00 -0.01 0.00 0.00 64.34 63.22 1a4k n VAL 91 Cb 0.53 0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.65 1a4k n VAL 91 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1a4k h THR 92 N 4.84 1.34 -3.47 2.52 2.02 -1.86 -3.47 112.91 114.84 1a4k h THR 92 Ca -0.01 -2.46 -0.67 0.00 0.77 0.00 0.00 66.41 64.04 1a4k h THR 92 Cb 1.29 2.55 -0.20 0.00 -1.74 0.00 0.00 68.15 70.06 1a4k h THR 92 CO 0.00 0.74 -0.83 -1.00 0.37 0.00 0.00 175.52 174.80 1a4k s HIS 93 N -3.13 2.33 0.00 3.16 3.76 -1.26 -4.96 115.29 115.19 1a4k s HIS 93 Ca -0.08 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1a4k s HIS 93 Cb 0.07 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.56 1a4k s HIS 93 CO 0.90 0.44 0.00 1.33 -0.85 0.00 0.00 174.74 176.56 1a4k n VAL 94 N 0.52 0.00 -3.37 -0.90 0.24 -1.26 -3.91 118.33 109.65 1a4k n VAL 94 Ca -0.15 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.77 1a4k n VAL 94 Cb 0.55 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 1a4k n VAL 94 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1a4k s PRO 95 N 0.00 4.20 0.78 7.34 0.04 -1.26 -5.03 135.00 141.06 1a4k s PRO 95 Ca 0.00 0.45 -0.14 0.00 0.04 0.00 0.00 61.00 61.35 1a4k s PRO 95 Cb 0.00 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 31.25 1a4k s PRO 95 CO 0.00 0.37 1.22 -1.25 0.04 0.00 0.00 177.00 177.38 1a4k s PRO 96 N -0.07 1.82 0.03 0.56 0.04 -1.25 -4.94 135.00 131.18 1a4k s PRO 96 Ca 0.25 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1a4k s PRO 96 Cb -0.16 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1a4k s PRO 96 CO 0.12 -2.09 0.09 0.95 0.04 0.00 0.00 177.00 176.10 1a4k s THR 97 N -2.02 0.12 0.14 1.26 -4.23 -0.60 -4.98 115.64 105.34 1a4k s THR 97 Ca 0.75 -0.99 0.09 0.00 -1.18 0.00 0.00 61.69 60.35 1a4k s THR 97 Cb -0.30 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1a4k s THR 97 CO 0.48 -0.55 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.50 1a4k s PHE 98 N -2.19 2.56 0.92 3.99 0.40 -1.26 -0.66 117.98 121.74 1a4k s PHE 98 Ca -0.09 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 55.85 1a4k s PHE 98 Cb -0.04 -1.32 0.15 0.00 0.51 0.00 0.00 43.02 42.33 1a4k s PHE 98 CO -0.03 0.44 1.21 0.20 0.70 0.00 0.00 175.22 177.74 1a4k s GLY 99 N -2.39 1.65 0.43 4.36 0.00 -0.44 -4.57 107.32 106.36 1a4k s GLY 99 Ca 0.20 -0.84 0.20 0.00 0.00 0.00 0.00 44.72 44.28 1a4k s GLY 99 CO 0.12 -0.20 1.89 -1.33 0.00 0.00 0.00 173.10 173.57 1a4k h GLY 100 N -1.50 0.00 0.00 0.20 0.00 -1.91 -3.45 103.07 96.41 1a4k h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a4k h GLY 100 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1a4k n GLY 101 N -0.33 2.42 3.08 4.60 0.00 -1.26 -5.03 105.19 108.67 1a4k n GLY 101 Ca -0.01 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1a4k n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 102 N -1.15 1.90 -0.27 2.61 2.01 0.11 -4.68 115.64 116.17 1a4k s THR 102 Ca 0.00 -0.92 -0.21 0.00 0.31 0.00 0.00 61.69 60.86 1a4k s THR 102 Cb 0.00 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1a4k s THR 102 CO 0.00 0.44 0.68 -0.75 -0.69 0.00 0.00 174.62 174.30 1a4k s LYS 103 N 1.34 4.05 -0.01 4.92 2.20 -0.78 -0.82 119.74 130.64 1a4k s LYS 103 Ca 0.03 0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 1a4k s LYS 103 Cb -0.14 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1a4k s LYS 103 CO -0.11 -0.50 0.81 -1.17 -0.36 0.00 0.00 175.35 174.02 1a4k s LEU 104 N 2.64 4.37 -0.03 5.43 2.96 -0.63 -0.92 118.68 132.51 1a4k s LEU 104 Ca 0.28 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 1a4k s LEU 104 Cb -0.15 -3.28 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 1a4k s LEU 104 CO 0.10 -0.12 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.06 1a4k s GLU 105 N 0.61 2.11 -0.08 1.98 2.12 -0.42 -4.17 118.70 120.85 1a4k s GLU 105 Ca 0.42 -0.86 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 1a4k s GLU 105 Cb -0.20 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 1a4k s GLU 105 CO 0.23 0.46 0.60 0.42 -0.54 0.00 0.00 175.26 176.43 1a4k s ILE 106 N -0.41 5.09 0.35 -3.70 -1.09 -1.26 -0.66 121.20 119.52 1a4k s ILE 106 Ca 0.05 1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 59.55 1a4k s ILE 106 Cb -0.11 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.75 1a4k s ILE 106 CO 0.01 0.30 0.76 -0.54 -1.23 0.00 0.00 174.94 174.24 1a4k s LYS 107 N 0.62 3.96 0.19 2.79 1.02 -0.26 -4.83 119.74 123.24 1a4k s LYS 107 Ca 0.32 0.66 -0.23 0.00 0.02 0.00 0.00 55.97 56.74 1a4k s LYS 107 Cb -0.17 -2.40 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1a4k s LYS 107 CO 0.15 0.09 0.96 -0.98 -0.92 0.00 0.00 175.35 174.64 1a4k s ARG 108 N -3.22 1.35 0.62 1.68 1.04 -1.26 -4.46 118.95 114.70 1a4k s ARG 108 Ca 0.54 -0.80 -0.17 0.00 -1.04 0.00 0.00 55.73 54.26 1a4k s ARG 108 Cb -0.10 0.43 -0.02 0.00 -2.04 0.00 0.00 34.95 33.22 1a4k s ARG 108 CO 0.21 -0.63 1.17 0.95 -0.04 0.00 0.00 175.30 176.96 1a4k s THR 109 N -2.90 2.82 0.36 4.99 -4.23 -1.26 -4.93 115.64 110.49 1a4k s THR 109 Ca 0.15 0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 60.84 1a4k s THR 109 Cb -0.02 -3.09 -0.11 0.00 1.34 0.00 0.00 72.50 70.62 1a4k s THR 109 CO 0.04 -0.16 1.41 -0.69 -0.54 0.00 0.00 174.62 174.69 1a4k s VAL 110 N -1.87 2.32 -0.04 2.29 1.01 -1.26 -4.78 120.40 118.07 1a4k s VAL 110 Ca 0.74 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1a4k s VAL 110 Cb -0.27 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1a4k s VAL 110 CO 0.36 0.08 0.05 0.00 0.00 0.00 0.00 175.10 175.59 1a4k s ALA 111 N -1.13 0.19 0.29 5.51 0.00 -0.06 -4.95 121.76 121.62 1a4k s ALA 111 Ca 0.51 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1a4k s ALA 111 Cb -0.44 -0.54 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 1a4k s ALA 111 CO 0.59 -0.41 1.15 0.00 0.00 0.00 0.00 175.76 177.10 1a4k s ALA 112 N 1.93 3.43 0.55 0.00 0.00 -1.26 -2.21 121.76 124.19 1a4k s ALA 112 Ca 0.02 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1a4k s ALA 112 Cb -0.12 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1a4k s ALA 112 CO -0.03 -0.28 1.05 -1.25 0.00 0.00 0.00 175.76 175.25 1a4k s PRO 113 N -1.53 3.53 -0.37 0.00 0.04 -1.26 -4.71 135.00 130.70 1a4k s PRO 113 Ca 0.46 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1a4k s PRO 113 Cb -0.34 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 1a4k s PRO 113 CO 0.44 -0.64 0.25 -1.12 0.04 0.00 0.00 177.00 175.97 1a4k s SER 114 N -2.50 6.02 -0.11 6.66 0.01 -0.63 -4.84 113.70 118.31 1a4k s SER 114 Ca 0.65 -0.64 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 1a4k s SER 114 Cb -0.16 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1a4k s SER 114 CO 0.30 -0.32 0.45 -0.69 0.41 0.00 0.00 173.24 173.39 1a4k s VAL 115 N 1.69 5.19 -0.01 3.43 1.01 -1.25 -1.16 120.40 129.30 1a4k s VAL 115 Ca 0.05 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1a4k s VAL 115 Cb -0.18 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1a4k s VAL 115 CO 0.10 0.35 -0.12 -0.36 0.00 0.00 0.00 175.10 175.07 1a4k s PHE 116 N 0.47 1.09 -0.09 5.22 0.08 0.35 -4.96 117.98 120.15 1a4k s PHE 116 Ca 0.24 -0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.13 1a4k s PHE 116 Cb -0.15 -0.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 1a4k s PHE 116 CO 0.10 -0.02 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.47 1a4k s ILE 117 N -0.29 1.97 -0.11 0.64 2.07 -1.26 0.11 121.20 124.33 1a4k s ILE 117 Ca 0.05 -0.97 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1a4k s ILE 117 Cb -0.05 -1.70 -0.00 0.00 0.13 0.00 0.00 42.46 40.84 1a4k s ILE 117 CO -0.00 0.54 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.99 1a4k s PHE 118 N 0.30 2.63 0.40 3.50 0.40 0.26 -5.00 117.98 120.48 1a4k s PHE 118 Ca -0.17 -1.00 -0.05 0.00 -0.60 0.00 0.00 56.93 55.11 1a4k s PHE 118 Cb -0.17 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1a4k s PHE 118 CO 0.08 -0.40 0.69 -1.25 0.70 0.00 0.00 175.22 175.04 1a4k s PRO 119 N 0.41 3.60 0.44 0.24 0.05 -1.26 -0.80 135.00 137.68 1a4k s PRO 119 Ca -0.16 0.13 -0.22 0.00 0.05 0.00 0.00 61.00 60.80 1a4k s PRO 119 Cb -0.17 -2.49 -0.12 0.00 0.05 0.00 0.00 34.50 31.77 1a4k s PRO 119 CO 0.07 -0.02 0.52 -2.30 0.05 0.00 0.00 177.00 175.32 1a4k n PRO 120 N -1.68 0.54 -1.53 0.56 -0.01 -1.17 -4.88 135.00 126.83 1a4k n PRO 120 Ca -0.00 0.20 -0.31 0.00 -0.01 0.00 0.00 63.50 63.38 1a4k n PRO 120 Cb 0.55 -1.51 0.06 0.00 -0.01 0.00 0.00 33.50 32.59 1a4k n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 1a4k s SER 121 N -0.97 5.22 0.02 2.55 1.04 -1.26 -4.92 113.70 115.37 1a4k s SER 121 Ca 0.64 1.67 -0.24 0.00 0.48 0.00 0.00 55.95 58.50 1a4k s SER 121 Cb -0.58 -2.50 -0.17 0.00 0.10 0.00 0.00 66.02 62.87 1a4k s SER 121 CO 0.58 -1.55 1.40 0.44 0.98 0.00 0.00 173.24 175.09 1a4k h ASP 122 N -0.74 0.11 -0.66 7.02 3.32 -2.00 -2.03 116.42 121.45 1a4k h ASP 122 Ca -0.44 -0.37 0.13 0.00 0.02 0.00 0.00 57.03 56.37 1a4k h ASP 122 Cb 1.21 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 1a4k h ASP 122 CO 0.56 0.46 0.15 1.05 -1.72 0.00 0.00 179.24 179.74 1a4k h GLU 123 N -0.24 0.26 0.00 3.56 9.09 -2.00 0.45 114.58 125.71 1a4k h GLU 123 Ca 0.01 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1a4k h GLU 123 Cb 0.41 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1a4k h GLU 123 CO 0.01 0.17 -0.35 0.37 0.05 0.00 0.00 179.01 179.26 1a4k h GLN 124 N 0.27 0.00 -0.22 1.06 4.15 -1.86 -3.21 115.11 115.30 1a4k h GLN 124 Ca 0.35 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.67 1a4k h GLN 124 Cb 0.56 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1a4k h GLN 124 CO -0.44 0.35 -0.29 -0.07 -1.93 0.00 0.00 178.83 176.45 1a4k h LEU 125 N 0.00 0.63 0.00 -2.39 3.38 -0.16 -2.73 115.31 114.03 1a4k h LEU 125 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1a4k h LEU 125 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1a4k h LEU 125 CO 0.05 1.01 0.00 2.29 0.09 0.00 0.00 178.44 181.87 1a4k n LYS 126 N -4.34 0.10 0.01 1.13 2.85 -0.89 -1.63 118.16 115.40 1a4k n LYS 126 Ca -0.05 0.22 0.12 0.00 -1.05 0.00 0.00 58.31 57.55 1a4k n LYS 126 Cb 0.47 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.65 1a4k n LYS 126 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1a4k n SER 127 N -1.38 0.44 0.00 -5.58 3.41 -1.03 -4.96 113.62 104.52 1a4k n SER 127 Ca 0.05 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1a4k n SER 127 Cb 0.12 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1a4k n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4k n GLY 128 N 1.47 1.79 3.13 5.00 0.00 -0.65 -5.09 105.19 110.85 1a4k n GLY 128 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1a4k n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 129 N -2.18 0.85 -0.10 2.61 2.01 -1.23 -1.35 115.64 116.26 1a4k s THR 129 Ca 0.00 -1.29 0.03 0.00 0.31 0.00 0.00 61.69 60.74 1a4k s THR 129 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1a4k s THR 129 CO 0.00 -0.35 -0.20 0.00 -0.69 0.00 0.00 174.62 173.38 1a4k s ALA 130 N -1.55 2.36 -0.21 7.40 0.00 0.16 -3.76 121.76 126.16 1a4k s ALA 130 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1a4k s ALA 130 Cb -0.09 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 22.15 1a4k s ALA 130 CO 0.01 0.33 -0.10 -1.12 0.00 0.00 0.00 175.76 174.88 1a4k s SER 131 N 0.15 3.53 -0.25 0.00 0.01 -1.26 -1.34 113.70 114.54 1a4k s SER 131 Ca -0.11 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 1a4k s SER 131 Cb -0.16 -1.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 1a4k s SER 131 CO 0.06 -0.16 0.15 -0.69 0.41 0.00 0.00 173.24 173.01 1a4k s VAL 132 N 1.37 5.16 -0.14 3.43 1.01 0.30 -3.04 120.40 128.49 1a4k s VAL 132 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1a4k s VAL 132 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1a4k s VAL 132 CO -0.08 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.58 1a4k s VAL 133 N 1.33 3.62 -0.14 2.92 1.01 0.02 -0.44 120.40 128.72 1a4k s VAL 133 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1a4k s VAL 133 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1a4k s VAL 133 CO 0.06 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.54 1a4k s LEU 135 N 0.57 2.62 -0.40 0.00 2.96 0.31 -0.71 118.68 124.03 1a4k s LEU 135 Ca -0.08 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1a4k s LEU 135 Cb -0.16 -1.59 0.08 0.00 0.50 0.00 0.00 46.19 45.03 1a4k s LEU 135 CO 0.03 0.13 0.21 -0.76 -1.32 0.00 0.00 176.35 174.65 1a4k s LEU 136 N 0.53 5.00 -0.09 -0.68 1.02 0.30 -0.49 118.68 124.26 1a4k s LEU 136 Ca -0.09 -1.61 -0.09 0.00 0.02 0.00 0.00 54.13 52.36 1a4k s LEU 136 Cb -0.16 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1a4k s LEU 136 CO 0.04 -0.50 0.21 0.21 0.02 0.00 0.00 176.35 176.33 1a4k s ASN 137 N 1.92 6.49 -0.73 2.29 2.47 -0.31 -0.32 114.94 126.75 1a4k s ASN 137 Ca 0.03 0.58 -0.10 0.00 0.42 0.00 0.00 52.86 53.80 1a4k s ASN 137 Cb -0.22 -2.12 0.01 0.00 -1.45 0.00 0.00 41.25 37.47 1a4k s ASN 137 CO -0.00 0.38 0.62 0.59 -3.72 0.00 0.00 177.10 174.97 1a4k n ASN 138 N 2.01 -5.18 -4.51 -4.21 5.03 -1.06 -1.60 115.26 105.74 1a4k n ASN 138 Ca -0.18 -0.71 -0.24 0.00 0.87 0.00 0.00 54.58 54.32 1a4k n ASN 138 Cb 0.54 -1.88 -0.11 0.00 -1.02 0.00 0.00 39.78 37.31 1a4k n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1a4k s PHE 139 N -2.61 2.19 -0.28 3.10 -0.71 0.49 -4.54 117.98 115.62 1a4k s PHE 139 Ca 0.10 -0.78 -0.22 0.00 -1.04 0.00 0.00 56.93 54.99 1a4k s PHE 139 Cb -0.01 -1.43 0.11 0.00 -1.21 0.00 0.00 43.02 40.48 1a4k s PHE 139 CO 0.88 0.25 0.93 -0.47 -1.34 0.00 0.00 175.22 175.47 1a4k s TYR 140 N -2.99 -0.62 1.00 3.49 6.14 -0.94 -0.09 117.35 123.33 1a4k s TYR 140 Ca 0.34 1.40 -0.14 0.00 0.64 0.00 0.00 57.07 59.31 1a4k s TYR 140 Cb 0.08 0.38 0.19 0.00 0.42 0.00 0.00 41.96 43.02 1a4k s TYR 140 CO 0.16 -0.30 1.14 -1.25 0.64 0.00 0.00 175.55 175.93 1a4k s PRO 141 N 0.66 0.42 0.42 4.97 0.04 -1.26 -0.88 135.00 139.38 1a4k s PRO 141 Ca -0.02 0.21 0.14 0.00 0.04 0.00 0.00 61.00 61.37 1a4k s PRO 141 Cb -0.05 -1.76 1.01 0.00 0.04 0.00 0.00 34.50 33.74 1a4k s PRO 141 CO -0.09 -2.67 1.94 -0.09 0.04 0.00 0.00 177.00 176.14 1a4k h ARG 142 N -1.84 0.43 -6.39 4.56 2.43 -1.98 -3.43 114.38 108.17 1a4k h ARG 142 Ca -0.50 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.10 1a4k h ARG 142 Cb 1.32 -0.10 0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1a4k h ARG 142 CO 0.53 0.29 1.18 0.39 -1.51 0.00 0.00 179.97 180.85 1a4k n GLU 143 N -4.48 2.76 -3.69 0.20 4.71 -1.26 -4.95 120.64 113.94 1a4k n GLU 143 Ca 0.13 1.01 -0.14 0.00 -0.01 0.00 0.00 57.16 58.14 1a4k n GLU 143 Cb 0.45 -2.94 -0.08 0.00 -1.01 0.00 0.00 31.44 27.86 1a4k n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4k s ALA 144 N 3.93 -1.20 -0.15 0.62 0.00 -1.26 -4.55 121.76 119.15 1a4k s ALA 144 Ca 0.88 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.94 1a4k s ALA 144 Cb -0.48 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1a4k s ALA 144 CO 0.42 -0.26 -0.17 0.21 0.00 0.00 0.00 175.76 175.95 1a4k s LYS 145 N -0.41 2.59 -0.24 0.00 2.36 -0.67 -4.99 119.74 118.38 1a4k s LYS 145 Ca -0.05 -0.68 -0.06 0.00 -2.55 0.00 0.00 55.97 52.62 1a4k s LYS 145 Cb -0.03 -2.25 -0.02 0.00 -1.05 0.00 0.00 37.83 34.47 1a4k s LYS 145 CO 0.03 -0.17 0.03 0.08 1.55 0.00 0.00 175.35 176.88 1a4k s VAL 146 N 1.24 3.97 -0.16 4.02 1.01 -1.26 -1.41 120.40 127.81 1a4k s VAL 146 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1a4k s VAL 146 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1a4k s VAL 146 CO -0.08 0.36 -0.19 -1.10 0.00 0.00 0.00 175.10 174.09 1a4k s GLN 147 N 1.56 2.79 0.30 2.72 -0.21 0.45 -4.92 119.66 122.34 1a4k s GLN 147 Ca 0.06 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.57 1a4k s GLN 147 Cb -0.15 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.40 1a4k s GLN 147 CO 0.01 -0.16 0.66 -1.58 -2.12 0.00 0.00 175.29 172.10 1a4k s TRP 148 N 1.21 3.41 -0.16 0.91 0.52 -1.26 0.61 118.94 124.18 1a4k s TRP 148 Ca 0.02 1.04 -0.07 0.00 0.02 0.00 0.00 56.10 57.10 1a4k s TRP 148 Cb -0.14 -2.40 0.07 0.00 -1.15 0.00 0.00 33.47 29.85 1a4k s TRP 148 CO -0.09 0.13 0.37 0.15 0.02 0.00 0.00 176.95 177.53 1a4k s LYS 149 N -3.07 0.31 -0.12 4.98 1.02 0.04 -0.83 119.74 122.08 1a4k s LYS 149 Ca 0.51 0.82 0.01 0.00 0.02 0.00 0.00 55.97 57.33 1a4k s LYS 149 Cb -0.11 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 1a4k s LYS 149 CO 0.21 -0.20 -0.17 0.08 -0.92 0.00 0.00 175.35 174.35 1a4k s VAL 150 N 1.88 2.67 -2.17 3.17 1.01 -0.85 -1.03 120.40 125.07 1a4k s VAL 150 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1a4k s VAL 150 Cb -0.10 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1a4k s VAL 150 CO -0.12 0.54 0.00 0.47 0.00 0.00 0.00 175.10 175.99 1a4k n ASP 151 N 3.55 -5.55 -0.41 3.32 9.92 0.28 0.05 116.55 127.71 1a4k n ASP 151 Ca -0.18 0.46 -0.05 0.00 -0.53 0.00 0.00 54.79 54.49 1a4k n ASP 151 Cb 0.53 -4.85 -0.02 0.00 -0.64 0.00 0.00 41.12 36.14 1a4k n ASP 151 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1a4k n ASN 152 N -1.42 -3.59 -4.43 -2.24 4.05 -1.26 -4.99 115.26 101.37 1a4k n ASN 152 Ca -0.21 0.13 -0.37 0.00 0.45 0.00 0.00 54.58 54.58 1a4k n ASN 152 Cb 0.68 -1.60 -0.12 0.00 1.23 0.00 0.00 39.78 39.97 1a4k n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a4k s ALA 153 N -2.20 3.15 -0.25 5.20 0.00 0.11 -5.02 121.76 122.75 1a4k s ALA 153 Ca 0.00 -1.19 -0.32 0.00 0.00 0.00 0.00 51.96 50.45 1a4k s ALA 153 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1a4k s ALA 153 CO 0.00 -0.57 2.15 -0.11 0.00 0.00 0.00 175.76 177.23 1a4k n LEU 154 N 4.92 2.78 -4.75 0.00 7.94 -1.26 -2.01 117.00 124.61 1a4k n LEU 154 Ca -0.16 0.44 -0.40 0.00 -1.11 0.00 0.00 56.01 54.78 1a4k n LEU 154 Cb 0.51 -1.39 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1a4k n LEU 154 CO 0.31 -0.59 0.70 -1.10 -1.11 0.00 0.00 177.39 175.60 1a4k s GLN 155 N 5.89 4.78 -0.12 1.96 -1.52 -0.01 -4.97 119.66 125.67 1a4k s GLN 155 Ca 1.03 1.60 -0.07 0.00 -1.95 0.00 0.00 55.36 55.98 1a4k s GLN 155 Cb -0.64 -3.25 0.05 0.00 -0.22 0.00 0.00 33.01 28.95 1a4k s GLN 155 CO 0.44 0.41 0.28 0.45 -0.25 0.00 0.00 175.29 176.62 1a4k s SER 156 N -1.06 -0.31 0.00 5.90 0.15 -1.26 -4.56 113.70 112.55 1a4k s SER 156 Ca 0.42 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1a4k s SER 156 Cb -0.28 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1a4k s SER 156 CO 0.35 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1a4k n GLY 157 N 4.01 0.73 0.84 9.45 0.00 -1.26 -4.94 105.19 114.03 1a4k n GLY 157 Ca -0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1a4k n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a4k n ASN 158 N 0.00 1.44 -3.89 1.61 6.94 -1.26 -5.06 115.26 115.04 1a4k n ASN 158 Ca 0.00 -3.11 -0.11 0.00 -0.02 0.00 0.00 54.58 51.35 1a4k n ASN 158 Cb 0.00 -0.43 -0.10 0.00 -2.36 0.00 0.00 39.78 36.90 1a4k n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1a4k s SER 159 N -2.68 0.07 0.01 0.53 1.04 -1.26 -1.95 113.70 109.46 1a4k s SER 159 Ca 0.34 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1a4k s SER 159 Cb 0.35 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1a4k s SER 159 CO -0.09 -0.42 -0.03 -1.10 0.98 0.00 0.00 173.24 172.58 1a4k s GLN 160 N -1.79 0.27 0.21 4.02 -0.21 -0.27 -4.96 119.66 116.93 1a4k s GLN 160 Ca -0.12 -0.35 0.09 0.00 0.02 0.00 0.00 55.36 55.00 1a4k s GLN 160 Cb -0.06 -0.10 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 1a4k s GLN 160 CO -0.00 0.02 -0.16 -1.83 -2.12 0.00 0.00 175.29 171.19 1a4k s GLU 161 N -0.74 1.39 -0.01 2.91 -1.05 -1.26 -0.33 118.70 119.62 1a4k s GLU 161 Ca -0.06 -1.59 -0.01 0.00 -0.15 0.00 0.00 54.97 53.16 1a4k s GLU 161 Cb -0.05 -1.30 0.00 0.00 -0.44 0.00 0.00 34.13 32.34 1a4k s GLU 161 CO -0.00 0.23 0.03 0.45 0.95 0.00 0.00 175.26 176.92 1a4k s SER 162 N -3.22 -0.01 -0.03 0.83 0.15 -0.40 -4.99 113.70 106.02 1a4k s SER 162 Ca 0.23 0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.94 1a4k s SER 162 Cb -0.03 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1a4k s SER 162 CO 0.08 -0.04 -0.17 0.54 1.20 0.00 0.00 173.24 174.86 1a4k s VAL 163 N -0.13 1.35 0.73 4.45 0.11 -1.26 -0.92 120.40 124.72 1a4k s VAL 163 Ca -0.02 -0.70 -0.11 0.00 -2.93 0.00 0.00 61.98 58.23 1a4k s VAL 163 Cb -0.01 -1.14 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1a4k s VAL 163 CO -0.00 0.39 1.08 0.42 -3.33 0.00 0.00 175.10 173.65 1a4k s THR 164 N -0.17 3.63 0.65 5.04 -4.23 -0.10 -4.99 115.64 115.48 1a4k s THR 164 Ca 0.01 0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 60.93 1a4k s THR 164 Cb -0.09 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 1a4k s THR 164 CO 0.01 -0.68 1.06 -1.61 -0.54 0.00 0.00 174.62 172.85 1a4k s GLU 165 N -4.92 3.12 0.18 3.99 0.41 -1.26 -4.51 118.70 115.72 1a4k s GLU 165 Ca 0.60 1.06 -0.33 0.00 -0.41 0.00 0.00 54.97 55.89 1a4k s GLU 165 Cb -0.16 -2.01 -0.15 0.00 -1.78 0.00 0.00 34.13 30.03 1a4k s GLU 165 CO 0.55 -0.96 1.34 0.94 -0.49 0.00 0.00 175.26 176.64 1a4k n GLN 166 N -2.62 1.63 -2.15 1.61 7.27 -1.26 -4.80 117.38 117.06 1a4k n GLN 166 Ca 0.08 0.58 -0.42 0.00 0.07 0.00 0.00 57.00 57.32 1a4k n GLN 166 Cb 0.53 -2.21 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 1a4k n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a4k s ASP 167 N 0.32 6.80 0.00 1.69 2.15 -0.30 -4.87 116.67 122.47 1a4k s ASP 167 Ca 0.74 2.38 0.00 0.00 0.43 0.00 0.00 52.55 56.10 1a4k s ASP 167 Cb -0.77 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.26 1a4k s ASP 167 CO 0.48 -0.65 0.48 -1.54 -0.17 0.00 0.00 175.17 173.77 1a4k n SER 168 N 3.65 0.03 0.04 -0.34 3.41 -1.26 -0.81 113.62 118.33 1a4k n SER 168 Ca 0.11 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1a4k n SER 168 Cb 0.42 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1a4k n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4k n LYS 169 N -0.46 0.00 -0.00 4.33 5.02 -1.26 -4.86 118.16 120.93 1a4k n LYS 169 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1a4k n LYS 169 Cb 0.01 -0.11 0.36 0.00 -0.02 0.00 0.00 35.03 35.26 1a4k n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a4k n ASP 170 N -2.91 2.10 -0.80 4.39 5.68 -1.25 -4.94 116.55 118.82 1a4k n ASP 170 Ca 0.00 -1.70 -0.10 0.00 -0.50 0.00 0.00 54.79 52.49 1a4k n ASP 170 Cb 0.00 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 1a4k n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a4k n SER 171 N 0.64 -5.48 -4.87 -1.12 7.64 0.01 -4.94 113.62 105.50 1a4k n SER 171 Ca 0.17 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 60.09 1a4k n SER 171 Cb 0.45 -3.89 0.06 0.00 -1.01 0.00 0.00 64.21 59.82 1a4k n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a4k s THR 172 N -1.98 2.44 0.25 0.44 -4.23 -1.26 -4.46 115.64 106.84 1a4k s THR 172 Ca 0.00 -0.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 1a4k s THR 172 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 1a4k s THR 172 CO 0.00 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.65 1a4k s TYR 173 N -2.88 2.49 0.01 3.99 2.02 0.87 -1.15 117.35 122.70 1a4k s TYR 173 Ca 0.61 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 57.05 1a4k s TYR 173 Cb -0.08 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1a4k s TYR 173 CO 0.40 0.62 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.82 1a4k s SER 174 N -3.33 0.74 0.04 2.29 0.01 -1.26 -0.38 113.70 111.82 1a4k s SER 174 Ca 0.28 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.37 1a4k s SER 174 Cb -0.07 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 1a4k s SER 174 CO 0.16 0.01 -0.12 -0.22 0.41 0.00 0.00 173.24 173.47 1a4k s LEU 175 N -0.50 2.19 -0.09 2.44 0.20 0.56 -0.92 118.68 122.56 1a4k s LEU 175 Ca -0.01 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.35 1a4k s LEU 175 Cb -0.04 -0.48 0.02 0.00 -0.43 0.00 0.00 46.19 45.25 1a4k s LEU 175 CO -0.00 -0.02 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.40 1a4k s SER 176 N -1.22 1.88 -0.10 3.68 0.15 -0.10 -0.54 113.70 117.45 1a4k s SER 176 Ca -0.01 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.37 1a4k s SER 176 Cb -0.08 -0.78 -0.02 0.00 -1.71 0.00 0.00 66.02 63.42 1a4k s SER 176 CO 0.01 -0.05 -0.12 -0.55 1.20 0.00 0.00 173.24 173.73 1a4k s SER 177 N 1.22 4.17 -0.12 5.45 0.15 0.12 -1.28 113.70 123.41 1a4k s SER 177 Ca -0.04 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1a4k s SER 177 Cb -0.14 -1.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 1a4k s SER 177 CO -0.03 0.25 -0.21 -0.89 1.20 0.00 0.00 173.24 173.57 1a4k s THR 178 N -0.15 1.91 -0.18 6.45 2.01 0.55 -0.62 115.64 125.61 1a4k s THR 178 Ca -0.00 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1a4k s THR 178 Cb -0.13 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1a4k s THR 178 CO 0.03 0.52 0.01 -0.22 -0.69 0.00 0.00 174.62 174.28 1a4k s LEU 179 N 0.72 3.44 -0.10 4.42 2.96 0.42 -1.11 118.68 129.43 1a4k s LEU 179 Ca -0.10 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1a4k s LEU 179 Cb -0.16 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1a4k s LEU 179 CO 0.01 0.13 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.07 1a4k s THR 180 N 0.63 2.39 0.03 3.68 2.01 -0.82 -0.54 115.64 123.02 1a4k s THR 180 Ca 0.00 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1a4k s THR 180 Cb -0.14 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1a4k s THR 180 CO 0.02 0.55 0.00 -0.76 -0.69 0.00 0.00 174.62 173.75 1a4k s LEU 181 N 0.20 2.16 0.59 4.42 1.43 -0.45 -4.90 118.68 122.13 1a4k s LEU 181 Ca -0.12 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1a4k s LEU 181 Cb -0.16 0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.26 1a4k s LEU 181 CO 0.07 -0.39 1.13 -0.94 0.23 0.00 0.00 176.35 176.44 1a4k s SER 182 N -1.82 5.46 0.50 2.29 1.04 -1.26 0.40 113.70 120.30 1a4k s SER 182 Ca -0.10 2.13 0.27 0.00 0.48 0.00 0.00 55.95 58.72 1a4k s SER 182 Cb -0.05 -2.57 1.36 0.00 0.10 0.00 0.00 66.02 64.85 1a4k s SER 182 CO -0.03 -1.40 1.90 0.50 0.98 0.00 0.00 173.24 175.19 1a4k h LYS 183 N 0.75 0.11 0.00 4.02 3.64 -1.49 -0.27 116.57 123.32 1a4k h LYS 183 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1a4k h LYS 183 Cb 1.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1a4k h LYS 183 CO 0.56 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1a4k n ALA 184 N -2.65 -0.32 0.07 5.00 0.00 -1.26 -2.56 120.51 118.80 1a4k n ALA 184 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1a4k n ALA 184 Cb 0.83 0.11 0.52 0.00 0.00 0.00 0.00 19.45 20.91 1a4k n ALA 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a4k h ASP 185 N 0.00 0.29 -0.22 0.00 5.19 -1.85 -0.40 116.42 119.43 1a4k h ASP 185 Ca 0.00 -0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 1a4k h ASP 185 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1a4k h ASP 185 CO 0.00 0.20 0.41 0.22 -3.12 0.00 0.00 179.24 176.95 1a4k h TYR 186 N 0.33 0.00 0.00 4.55 3.20 -0.82 0.15 116.97 124.39 1a4k h TYR 186 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1a4k h TYR 186 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1a4k h TYR 186 CO -0.00 0.00 -1.07 0.39 -1.64 0.00 0.00 178.16 175.84 1a4k n GLU 187 N -3.31 0.13 -0.13 1.82 4.71 -0.16 -4.26 120.64 119.44 1a4k n GLU 187 Ca 0.03 -0.03 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1a4k n GLU 187 Cb 0.52 -1.52 0.08 0.00 -1.01 0.00 0.00 31.44 29.51 1a4k n GLU 187 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1a4k n LYS 188 N -1.67 1.56 -3.79 3.49 2.85 0.53 -4.86 118.16 116.27 1a4k n LYS 188 Ca 0.03 -0.61 -0.09 0.00 -1.05 0.00 0.00 58.31 56.59 1a4k n LYS 188 Cb 0.38 -1.35 -0.06 0.00 -0.65 0.00 0.00 35.03 33.34 1a4k n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1a4k s HIS 189 N -1.61 0.05 -0.13 5.58 3.76 -1.25 -5.06 115.29 116.63 1a4k s HIS 189 Ca 0.11 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 1a4k s HIS 189 Cb 0.07 0.07 -0.06 0.00 1.11 0.00 0.00 32.58 33.77 1a4k s HIS 189 CO 0.05 -0.64 -0.26 1.17 -0.85 0.00 0.00 174.74 174.22 1a4k n LYS 190 N -0.15 0.40 -3.44 1.40 4.81 -1.26 -4.99 118.16 114.92 1a4k n LYS 190 Ca -0.14 0.16 -0.38 0.00 -0.87 0.00 0.00 58.31 57.09 1a4k n LYS 190 Cb 0.63 -1.19 -0.08 0.00 0.02 0.00 0.00 35.03 34.42 1a4k n LYS 190 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1a4k s VAL 191 N -2.58 5.23 -0.19 3.15 -7.23 -1.26 -4.10 120.40 113.42 1a4k s VAL 191 Ca -0.23 0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 60.54 1a4k s VAL 191 Cb 0.05 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1a4k s VAL 191 CO 0.33 0.29 -0.06 -0.31 -0.31 0.00 0.00 175.10 175.04 1a4k s TYR 192 N 1.11 2.94 -0.00 2.82 2.02 -1.19 -0.55 117.35 124.50 1a4k s TYR 192 Ca 0.18 -0.75 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1a4k s TYR 192 Cb -0.14 -2.03 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1a4k s TYR 192 CO 0.07 -0.38 0.09 0.00 -1.57 0.00 0.00 175.55 173.76 1a4k s ALA 193 N 1.05 -0.21 -0.12 3.71 0.00 -0.20 -2.17 121.76 123.82 1a4k s ALA 193 Ca 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1a4k s ALA 193 Cb -0.15 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1a4k s ALA 193 CO -0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 175.76 175.38 1a4k s GLU 195 N 0.56 3.42 -0.17 0.00 2.12 0.20 -1.95 118.70 122.88 1a4k s GLU 195 Ca -0.13 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.49 1a4k s GLU 195 Cb -0.17 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1a4k s GLU 195 CO 0.04 -0.38 0.01 0.08 -0.54 0.00 0.00 175.26 174.47 1a4k s VAL 196 N 1.63 4.29 -0.16 3.70 1.01 0.88 -0.41 120.40 131.34 1a4k s VAL 196 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1a4k s VAL 196 Cb -0.17 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1a4k s VAL 196 CO 0.06 0.48 -0.18 0.42 0.00 0.00 0.00 175.10 175.89 1a4k s THR 197 N 0.36 1.86 0.05 3.92 -4.23 -0.50 0.31 115.64 117.41 1a4k s THR 197 Ca -0.01 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1a4k s THR 197 Cb -0.13 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 1a4k s THR 197 CO 0.02 0.51 -0.04 -2.28 -0.54 0.00 0.00 174.62 172.28 1a4k s HIS 198 N 1.33 0.54 0.40 3.99 2.46 -1.26 -1.66 115.29 121.08 1a4k s HIS 198 Ca 0.04 -0.86 0.10 0.00 0.47 0.00 0.00 55.06 54.81 1a4k s HIS 198 Cb -0.13 -0.37 0.89 0.00 -0.13 0.00 0.00 32.58 32.84 1a4k s HIS 198 CO -0.11 -0.26 1.98 0.37 -2.47 0.00 0.00 174.74 174.24 1a4k h GLN 199 N 3.60 0.55 -0.33 2.88 4.15 -1.93 -0.67 115.11 123.37 1a4k h GLN 199 Ca -0.34 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1a4k h GLN 199 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1a4k h GLN 199 CO 0.57 0.37 0.00 0.41 -1.93 0.00 0.00 178.83 178.25 1a4k n GLY 200 N -1.48 0.05 2.99 2.39 0.00 -1.26 -4.71 105.19 103.17 1a4k n GLY 200 Ca 0.09 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1a4k n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4k s LEU 201 N -0.81 1.52 0.27 0.99 1.43 -0.26 -4.44 118.68 117.38 1a4k s LEU 201 Ca 0.06 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1a4k s LEU 201 Cb 0.04 -1.03 0.50 0.00 0.03 0.00 0.00 46.19 45.74 1a4k s LEU 201 CO 0.03 -0.06 1.82 0.77 0.23 0.00 0.00 176.35 179.14 1a4k h SER 202 N 7.89 0.79 -5.01 2.29 4.64 -1.84 -3.43 113.55 118.89 1a4k h SER 202 Ca -0.34 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 1a4k h SER 202 Cb 1.15 -0.10 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 1a4k h SER 202 CO 0.48 0.42 -0.56 -0.55 -0.87 0.00 0.00 176.83 175.75 1a4k s SER 203 N -5.62 0.12 -0.24 4.97 0.15 -1.26 -5.09 113.70 106.72 1a4k s SER 203 Ca -0.12 -0.36 -0.39 0.00 0.70 0.00 0.00 55.95 55.77 1a4k s SER 203 Cb 0.21 0.18 -0.15 0.00 -1.71 0.00 0.00 66.02 64.55 1a4k s SER 203 CO 0.80 -0.38 1.73 -2.65 1.20 0.00 0.00 173.24 173.94 1a4k n PRO 204 N 1.34 1.24 -3.37 5.44 -0.02 -1.26 -4.90 135.00 133.46 1a4k n PRO 204 Ca -0.22 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.34 1a4k n PRO 204 Cb 0.56 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 1a4k n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a4k s VAL 205 N 3.42 5.22 0.04 -1.45 1.01 0.15 -4.83 120.40 123.96 1a4k s VAL 205 Ca 0.97 0.84 0.09 0.00 0.00 0.00 0.00 61.98 63.88 1a4k s VAL 205 Cb -1.03 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1a4k s VAL 205 CO 0.64 0.34 -0.26 0.28 0.00 0.00 0.00 175.10 176.09 1a4k s THR 206 N 0.64 2.16 0.05 3.92 -1.32 -1.26 -0.08 115.64 119.75 1a4k s THR 206 Ca 0.23 -1.38 0.07 0.00 -1.21 0.00 0.00 61.69 59.41 1a4k s THR 206 Cb -0.14 -1.84 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 1a4k s THR 206 CO 0.08 0.37 -0.20 -0.54 -2.21 0.00 0.00 174.62 172.12 1a4k s LYS 207 N -1.23 1.33 0.27 7.08 -0.14 -0.82 -4.98 119.74 121.25 1a4k s LYS 207 Ca 0.12 -0.97 -0.21 0.00 -1.36 0.00 0.00 55.97 53.55 1a4k s LYS 207 Cb -0.10 -1.46 0.02 0.00 -1.68 0.00 0.00 37.83 34.61 1a4k s LYS 207 CO 0.02 0.37 0.70 -1.54 -0.76 0.00 0.00 175.35 174.14 1a4k s SER 208 N -1.30 -0.27 0.14 2.83 1.04 -1.26 -1.48 113.70 113.40 1a4k s SER 208 Ca 0.07 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1a4k s SER 208 Cb -0.09 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 1a4k s SER 208 CO 0.02 -1.32 -0.02 0.72 0.98 0.00 0.00 173.24 173.62 1a4k s PHE 209 N -3.92 1.03 0.00 5.02 -0.12 -0.92 -5.02 117.98 114.05 1a4k s PHE 209 Ca 0.11 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 55.98 1a4k s PHE 209 Cb -0.05 -0.59 0.00 0.00 -0.63 0.00 0.00 43.02 41.74 1a4k s PHE 209 CO 0.06 -0.23 0.00 0.27 -0.05 0.00 0.00 175.22 175.27 1a4k n ASN 210 N -0.14 0.00 0.00 1.98 6.94 -1.26 -3.14 115.26 119.64 1a4k n ASN 210 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1a4k n ASN 210 Cb 0.62 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1a4k n ASN 210 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77