#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4x n ASP 1 N 0.00 0.00 -4.57 6.12 -0.08 -1.26 -4.78 116.55 111.98 1n4x n ASP 1 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1n4x n ASP 1 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1n4x n ASP 1 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1n4x s ILE 2 N 0.00 4.67 -0.04 5.18 1.01 -1.26 -4.99 121.20 125.77 1n4x s ILE 2 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.10 1n4x s ILE 2 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1n4x s ILE 2 CO 0.00 -0.58 0.87 -1.48 0.00 0.00 0.00 174.94 173.75 1n4x s LEU 3 N 3.26 4.34 -0.40 2.97 0.05 -1.26 -4.76 118.68 122.87 1n4x s LEU 3 Ca 0.32 1.45 -0.08 0.00 0.05 0.00 0.00 54.13 55.87 1n4x s LEU 3 Cb -0.12 -3.37 0.08 0.00 -2.05 0.00 0.00 46.19 40.73 1n4x s LEU 3 CO 0.20 -0.22 0.22 -0.04 -0.55 0.00 0.00 176.35 175.96 1n4x s MET 4 N 1.02 2.52 -0.46 1.48 -1.94 -1.26 -0.84 119.30 119.82 1n4x s MET 4 Ca 0.46 -1.47 -0.19 0.00 -1.71 0.00 0.00 55.69 52.78 1n4x s MET 4 Cb -0.19 -3.69 0.03 0.00 2.01 0.00 0.00 34.83 32.99 1n4x s MET 4 CO 0.23 -0.92 0.59 0.99 -0.01 0.00 0.00 175.02 175.90 1n4x s THR 5 N 1.38 4.90 -0.16 2.05 2.01 -0.09 -4.07 115.64 121.65 1n4x s THR 5 Ca 0.03 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 1n4x s THR 5 Cb -0.22 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1n4x s THR 5 CO 0.01 -0.63 0.05 -1.58 -0.69 0.00 0.00 174.62 171.79 1n4x s GLN 6 N 2.61 3.81 0.03 4.92 0.74 -1.26 -1.35 119.66 129.15 1n4x s GLN 6 Ca 0.18 -0.34 -0.02 0.00 0.05 0.00 0.00 55.36 55.22 1n4x s GLN 6 Cb -0.16 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 1n4x s GLN 6 CO 0.16 0.36 0.02 0.95 -0.55 0.00 0.00 175.29 176.22 1n4x s THR 7 N 0.12 0.13 0.88 -0.34 -4.23 -0.53 -4.54 115.64 107.12 1n4x s THR 7 Ca 0.05 -1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1n4x s THR 7 Cb -0.12 -0.62 0.13 0.00 1.34 0.00 0.00 72.50 73.23 1n4x s THR 7 CO 0.01 -0.59 1.24 -2.16 -0.54 0.00 0.00 174.62 172.58 1n4x s PRO 8 N -2.10 1.36 0.27 3.99 0.04 -1.26 0.17 135.00 137.47 1n4x s PRO 8 Ca -0.10 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 60.85 1n4x s PRO 8 Cb -0.05 -1.91 0.36 0.00 0.04 0.00 0.00 34.50 32.94 1n4x s PRO 8 CO -0.03 -1.97 1.64 -0.07 0.04 0.00 0.00 177.00 176.62 1n4x h LEU 9 N -1.32 0.32 -7.34 -3.56 3.38 -1.83 -3.41 115.31 101.55 1n4x h LEU 9 Ca -0.45 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 1n4x h LEU 9 Cb 1.29 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 1n4x h LEU 9 CO 0.53 0.74 -0.12 -0.72 0.09 0.00 0.00 178.44 178.96 1n4x s TYR 10 N -4.05 -0.34 -0.28 1.13 1.13 -1.26 -2.33 117.35 111.35 1n4x s TYR 10 Ca -0.05 0.54 -0.03 0.00 -1.41 0.00 0.00 57.07 56.12 1n4x s TYR 10 Cb 0.13 0.20 0.09 0.00 -1.10 0.00 0.00 41.96 41.28 1n4x s TYR 10 CO 0.79 -0.47 0.11 -1.17 -2.51 0.00 0.00 175.55 172.30 1n4x s LEU 11 N -1.31 1.13 -0.12 -3.49 2.96 0.70 -4.87 118.68 113.67 1n4x s LEU 11 Ca -0.12 -1.30 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 1n4x s LEU 11 Cb -0.03 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 1n4x s LEU 11 CO 0.06 -0.41 1.02 -2.84 -1.32 0.00 0.00 176.35 172.85 1n4x s PRO 12 N 1.93 4.39 0.10 0.98 0.02 -1.26 -1.78 135.00 139.38 1n4x s PRO 12 Ca 0.08 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 1n4x s PRO 12 Cb -0.16 -3.56 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 1n4x s PRO 12 CO -0.28 -0.37 0.03 0.14 -0.33 0.00 0.00 177.00 176.18 1n4x s VAL 13 N 2.21 0.15 0.04 3.83 -7.23 -0.02 -4.86 120.40 114.52 1n4x s VAL 13 Ca 0.48 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1n4x s VAL 13 Cb -0.18 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1n4x s VAL 13 CO 0.16 -0.67 0.20 -0.44 -0.31 0.00 0.00 175.10 174.04 1n4x s SER 14 N -3.00 6.35 0.33 4.85 0.01 -1.26 -0.47 113.70 120.52 1n4x s SER 14 Ca 0.17 0.29 -0.29 0.00 1.31 0.00 0.00 55.95 57.44 1n4x s SER 14 Cb 0.08 -1.97 -0.12 0.00 0.21 0.00 0.00 66.02 64.22 1n4x s SER 14 CO -0.03 0.20 1.45 0.18 0.41 0.00 0.00 173.24 175.45 1n4x n LEU 15 N 0.50 4.17 0.00 2.44 4.77 -1.26 -1.61 117.00 126.01 1n4x n LEU 15 Ca -0.07 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1n4x n LEU 15 Cb 0.51 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1n4x n LEU 15 CO 0.49 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1n4x n GLY 16 N 1.11 3.33 3.81 -0.72 0.00 0.16 -4.96 105.19 107.91 1n4x n GLY 16 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1n4x n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n4x s ASP 17 N -1.05 4.98 0.33 1.61 1.01 -0.63 -4.41 116.67 118.51 1n4x s ASP 17 Ca 0.00 1.46 -0.06 0.00 0.71 0.00 0.00 52.55 54.66 1n4x s ASP 17 Cb 0.00 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.61 1n4x s ASP 17 CO 0.00 -1.68 0.62 -1.58 0.21 0.00 0.00 175.17 172.75 1n4x s GLN 18 N -5.11 3.66 0.01 8.23 -0.44 -1.24 -0.44 119.66 124.34 1n4x s GLN 18 Ca 0.59 0.13 -0.00 0.00 -2.50 0.00 0.00 55.36 53.58 1n4x s GLN 18 Cb -0.14 -2.57 -0.01 0.00 -1.64 0.00 0.00 33.01 28.65 1n4x s GLN 18 CO 0.55 0.12 -0.02 0.00 0.50 0.00 0.00 175.29 176.44 1n4x s ALA 19 N -2.20 0.08 -0.03 1.58 0.00 -0.05 -4.92 121.76 116.22 1n4x s ALA 19 Ca 0.46 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1n4x s ALA 19 Cb -0.11 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1n4x s ALA 19 CO 0.31 -0.11 -0.03 -1.12 0.00 0.00 0.00 175.76 174.81 1n4x s SER 20 N -1.02 0.64 -0.05 0.00 0.01 -1.26 -0.84 113.70 111.18 1n4x s SER 20 Ca -0.11 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.11 1n4x s SER 20 Cb -0.07 -0.26 -0.00 0.00 0.21 0.00 0.00 66.02 65.90 1n4x s SER 20 CO -0.01 -0.04 -0.18 -0.63 0.41 0.00 0.00 173.24 172.80 1n4x s ILE 21 N 0.64 1.48 0.23 1.44 1.01 -0.27 -4.67 121.20 121.06 1n4x s ILE 21 Ca -0.07 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1n4x s ILE 21 Cb -0.11 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1n4x s ILE 21 CO -0.01 0.42 0.08 -0.55 0.00 0.00 0.00 174.94 174.89 1n4x s SER 22 N 0.09 5.04 -0.23 3.58 0.15 0.13 -1.17 113.70 121.29 1n4x s SER 22 Ca -0.05 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.11 1n4x s SER 22 Cb -0.12 -1.14 0.09 0.00 -1.71 0.00 0.00 66.02 63.14 1n4x s SER 22 CO 0.03 0.02 0.51 0.00 1.20 0.00 0.00 173.24 174.99 1n4x s ARG 24 N 2.27 2.18 0.06 0.00 1.70 -0.46 -1.16 118.95 123.54 1n4x s ARG 24 Ca -0.06 -0.76 -0.09 0.00 -0.47 0.00 0.00 55.73 54.36 1n4x s ARG 24 Cb -0.10 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.36 1n4x s ARG 24 CO -0.15 0.31 0.36 -1.54 -1.08 0.00 0.00 175.30 173.20 1n4x s SER 25 N -0.05 6.59 0.17 -2.89 1.04 -0.69 -0.91 113.70 116.97 1n4x s SER 25 Ca -0.04 0.71 0.23 0.00 0.48 0.00 0.00 55.95 57.33 1n4x s SER 25 Cb -0.13 -2.15 0.90 0.00 0.10 0.00 0.00 66.02 64.74 1n4x s SER 25 CO 0.03 0.19 1.70 -1.54 0.98 0.00 0.00 173.24 174.60 1n4x n SER 26 N 0.93 0.51 -4.00 7.02 3.41 -0.02 -4.81 113.62 116.65 1n4x n SER 26 Ca -0.09 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.02 1n4x n SER 26 Cb 0.52 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1n4x n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1n4x s GLN 27 N -3.17 1.48 0.49 4.33 -0.21 -1.26 -4.96 119.66 116.36 1n4x s GLN 27 Ca 0.07 -1.40 -0.21 0.00 0.02 0.00 0.00 55.36 53.85 1n4x s GLN 27 Cb 0.11 0.41 -0.07 0.00 1.00 0.00 0.00 33.01 34.46 1n4x s GLN 27 CO 0.43 -0.58 1.10 0.95 -2.12 0.00 0.00 175.29 175.06 1n4x s THR 28 N -3.99 3.43 -0.49 -0.19 -4.23 -1.26 -4.83 115.64 104.08 1n4x s THR 28 Ca 0.28 0.94 0.06 0.00 -1.18 0.00 0.00 61.69 61.78 1n4x s THR 28 Cb 0.01 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 70.83 1n4x s THR 28 CO 0.11 -0.14 1.03 2.30 -0.54 0.00 0.00 174.62 177.37 1n4x n ILE 29 N -0.92 2.56 -3.69 2.99 -5.35 -1.26 -5.00 119.36 108.69 1n4x n ILE 29 Ca 0.09 -5.15 -0.36 0.00 -0.27 0.00 0.00 62.75 57.06 1n4x n ILE 29 Cb 0.51 -1.24 -0.10 0.00 -1.74 0.00 0.00 39.64 37.08 1n4x n ILE 29 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1n4x s VAL 30 N -4.92 5.27 0.73 7.28 1.01 -1.26 -4.15 120.40 124.36 1n4x s VAL 30 Ca 0.48 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1n4x s VAL 30 Cb 0.35 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1n4x s VAL 30 CO -0.16 0.35 1.07 -2.28 0.00 0.00 0.00 175.10 174.09 1n4x s HIS 31 N 1.04 2.88 0.62 5.22 2.46 0.43 -4.88 115.29 123.07 1n4x s HIS 31 Ca 0.07 1.46 0.32 0.00 0.47 0.00 0.00 55.06 57.38 1n4x s HIS 31 Cb -0.14 -2.96 1.76 0.00 -0.13 0.00 0.00 32.58 31.11 1n4x s HIS 31 CO 0.04 -1.50 2.08 -0.91 -2.47 0.00 0.00 174.74 171.98 1n4x h ASN 32 N -0.91 0.00 -0.19 9.88 2.35 -1.87 0.20 115.58 125.03 1n4x h ASN 32 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1n4x h ASN 32 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1n4x h ASN 32 CO 0.55 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.87 1n4x n ASN 33 N -3.44 1.44 0.00 5.81 0.23 -1.26 -4.92 115.26 113.13 1n4x n ASN 33 Ca 0.01 -1.77 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 1n4x n ASN 33 Cb 0.34 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1n4x n ASN 33 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n4x n GLY 34 N 1.04 1.62 3.86 4.83 0.00 0.69 -5.05 105.19 112.17 1n4x n GLY 34 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1n4x n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n4x s ASN 35 N -2.90 6.74 -0.42 1.61 0.02 -1.26 -4.74 114.94 114.00 1n4x s ASN 35 Ca 0.00 1.09 -0.09 0.00 -1.02 0.00 0.00 52.86 52.84 1n4x s ASN 35 Cb 0.00 -2.29 0.08 0.00 0.02 0.00 0.00 41.25 39.05 1n4x s ASN 35 CO 0.00 -0.07 0.26 -0.89 0.02 0.00 0.00 177.10 176.41 1n4x s THR 36 N -1.78 4.24 -1.37 1.60 2.01 -1.26 -0.43 115.64 118.64 1n4x s THR 36 Ca 0.47 -1.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 1n4x s THR 36 Cb -0.12 -3.58 0.10 0.00 0.01 0.00 0.00 72.50 68.90 1n4x s THR 36 CO 0.20 -0.49 2.22 -1.22 -0.69 0.00 0.00 174.62 174.63 1n4x n TYR 37 N 4.92 2.89 -3.48 4.92 4.01 -1.26 -3.85 117.16 125.30 1n4x n TYR 37 Ca -0.10 -2.87 -0.38 0.00 -0.16 0.00 0.00 57.90 54.38 1n4x n TYR 37 Cb 0.43 -2.11 -0.10 0.00 -0.31 0.00 0.00 39.34 37.25 1n4x n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1n4x s LEU 38 N -0.15 4.05 0.22 7.72 1.98 -1.26 -1.34 118.68 129.90 1n4x s LEU 38 Ca 0.49 0.19 0.11 0.00 -2.89 0.00 0.00 54.13 52.02 1n4x s LEU 38 Cb 0.14 -2.30 -0.05 0.00 0.66 0.00 0.00 46.19 44.64 1n4x s LEU 38 CO -0.05 -0.10 -0.20 -1.61 -1.89 0.00 0.00 176.35 172.49 1n4x s GLU 39 N 1.80 1.51 -0.08 1.98 8.01 0.23 -0.91 118.70 131.24 1n4x s GLU 39 Ca 0.12 -1.59 0.04 0.00 0.01 0.00 0.00 54.97 53.55 1n4x s GLU 39 Cb -0.16 -1.64 -0.00 0.00 -4.31 0.00 0.00 34.13 28.02 1n4x s GLU 39 CO 0.10 0.33 -0.23 -1.58 0.01 0.00 0.00 175.26 173.89 1n4x s TRP 40 N -2.17 2.36 0.20 1.61 0.52 0.03 -0.65 118.94 120.85 1n4x s TRP 40 Ca 0.23 -0.87 0.11 0.00 0.02 0.00 0.00 56.10 55.58 1n4x s TRP 40 Cb -0.06 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1n4x s TRP 40 CO 0.11 -0.33 -0.21 0.71 0.02 0.00 0.00 176.95 177.24 1n4x s TYR 41 N 0.21 2.13 -0.06 -1.98 2.02 0.70 -0.96 117.35 119.41 1n4x s TYR 41 Ca -0.13 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1n4x s TYR 41 Cb -0.16 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1n4x s TYR 41 CO 0.07 0.48 -0.07 -1.17 -1.57 0.00 0.00 175.55 173.28 1n4x s LEU 42 N -2.83 1.35 -0.36 -1.29 2.96 -0.51 -0.58 118.68 117.42 1n4x s LEU 42 Ca 0.21 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1n4x s LEU 42 Cb -0.07 -0.64 0.08 0.00 0.50 0.00 0.00 46.19 46.07 1n4x s LEU 42 CO 0.10 -0.05 0.13 -1.58 -1.32 0.00 0.00 176.35 173.63 1n4x s GLN 43 N 1.04 2.22 0.54 1.98 0.74 0.10 -0.79 119.66 125.49 1n4x s GLN 43 Ca -0.08 -1.56 -0.19 0.00 0.05 0.00 0.00 55.36 53.58 1n4x s GLN 43 Cb -0.14 -3.44 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 1n4x s GLN 43 CO -0.00 -0.87 1.08 0.15 -0.55 0.00 0.00 175.29 175.09 1n4x s LYS 44 N 1.21 3.48 -0.26 1.67 1.02 -1.26 -1.71 119.74 123.89 1n4x s LYS 44 Ca 0.03 1.44 -0.41 0.00 0.02 0.00 0.00 55.97 57.05 1n4x s LYS 44 Cb -0.21 -2.04 -0.17 0.00 -0.52 0.00 0.00 37.83 34.89 1n4x s LYS 44 CO -0.02 -0.71 1.65 -2.30 -0.92 0.00 0.00 175.35 173.04 1n4x n PRO 45 N -1.36 0.94 -1.91 -1.68 -0.02 -1.26 -1.41 135.00 128.29 1n4x n PRO 45 Ca 0.10 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1n4x n PRO 45 Cb 0.52 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1n4x n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n4x n GLY 46 N 3.86 0.51 3.33 -1.23 0.00 -1.26 -5.01 105.19 105.38 1n4x n GLY 46 Ca 0.26 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 1n4x n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4x s GLN 47 N -4.09 1.30 0.30 1.61 -0.21 -0.50 -5.12 119.66 112.95 1n4x s GLN 47 Ca 0.00 -1.63 -0.29 0.00 0.02 0.00 0.00 55.36 53.46 1n4x s GLN 47 Cb 0.00 -0.74 -0.10 0.00 1.00 0.00 0.00 33.01 33.17 1n4x s GLN 47 CO 0.00 -0.02 1.29 -1.12 -2.12 0.00 0.00 175.29 173.33 1n4x s SER 48 N -3.30 6.84 0.70 5.90 0.01 -1.26 -4.59 113.70 118.01 1n4x s SER 48 Ca 0.25 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 59.94 1n4x s SER 48 Cb 0.04 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1n4x s SER 48 CO 0.07 -0.50 1.18 -2.65 0.41 0.00 0.00 173.24 171.75 1n4x n PRO 49 N 1.26 0.74 -4.32 12.44 -0.02 -1.26 -4.65 135.00 139.19 1n4x n PRO 49 Ca 0.01 0.31 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 1n4x n PRO 49 Cb 0.42 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 1n4x n PRO 49 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1n4x s GLN 50 N -3.50 0.86 0.20 -0.52 -2.07 0.03 -4.95 119.66 109.71 1n4x s GLN 50 Ca 0.78 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 53.32 1n4x s GLN 50 Cb -0.35 -0.84 -0.08 0.00 -1.09 0.00 0.00 33.01 30.65 1n4x s GLN 50 CO 0.45 0.21 1.17 -1.17 -1.32 0.00 0.00 175.29 174.63 1n4x s LEU 51 N -1.07 4.47 -0.03 2.60 2.96 -1.26 -1.43 118.68 124.93 1n4x s LEU 51 Ca 0.01 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1n4x s LEU 51 Cb -0.07 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1n4x s LEU 51 CO 0.01 -0.31 -0.06 0.18 -1.32 0.00 0.00 176.35 174.85 1n4x n LEU 52 N 2.21 0.45 -4.05 -0.68 4.77 -0.13 -4.76 117.00 114.79 1n4x n LEU 52 Ca 0.03 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 1n4x n LEU 52 Cb 0.45 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 1n4x n LEU 52 CO 0.55 -0.02 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.51 1n4x s ILE 53 N -2.09 0.94 0.12 -0.08 -1.09 -1.07 -1.07 121.20 116.85 1n4x s ILE 53 Ca -0.06 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 57.93 1n4x s ILE 53 Cb 0.02 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 40.06 1n4x s ILE 53 CO 0.08 0.27 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.23 1n4x s TYR 54 N -0.10 1.22 -1.32 3.97 1.13 0.85 -0.79 117.35 122.33 1n4x s TYR 54 Ca 0.01 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 54.93 1n4x s TYR 54 Cb -0.07 -0.64 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 1n4x s TYR 54 CO 0.00 0.07 0.53 1.63 -2.51 0.00 0.00 175.55 175.27 1n4x n LYS 55 N 0.37 -2.25 0.00 -3.49 5.02 -0.92 -1.43 118.16 115.46 1n4x n LYS 55 Ca -0.14 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1n4x n LYS 55 Cb 0.58 -4.15 0.00 0.00 -0.02 0.00 0.00 35.03 31.44 1n4x n LYS 55 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n4x n VAL 56 N -4.42 0.00 -0.60 -0.18 0.31 -0.08 -3.96 118.33 109.40 1n4x n VAL 56 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1n4x n VAL 56 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1n4x n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1n4x n SER 57 N 1.65 0.74 -4.64 4.52 3.41 -1.22 -3.38 113.62 114.69 1n4x n SER 57 Ca 0.00 -1.34 -0.40 0.00 -0.26 0.00 0.00 58.87 56.87 1n4x n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1n4x n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1n4x s ASN 58 N -0.34 6.60 0.09 4.04 0.01 -0.51 -4.59 114.94 120.24 1n4x s ASN 58 Ca 0.00 0.74 -0.30 0.00 -0.71 0.00 0.00 52.86 52.58 1n4x s ASN 58 Cb 0.00 -2.33 -0.06 0.00 0.41 0.00 0.00 41.25 39.27 1n4x s ASN 58 CO 0.00 -0.32 1.08 -0.13 -1.51 0.00 0.00 177.10 176.22 1n4x s ARG 59 N 2.25 4.55 0.60 -0.60 0.52 -1.26 -0.10 118.95 124.90 1n4x s ARG 59 Ca 0.27 1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 56.95 1n4x s ARG 59 Cb -0.16 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1n4x s ARG 59 CO 0.09 -0.05 1.06 0.12 0.02 0.00 0.00 175.30 176.54 1n4x s PHE 60 N 0.52 2.99 0.23 -0.53 5.36 -0.23 -4.93 117.98 121.39 1n4x s PHE 60 Ca 0.53 1.51 -0.31 0.00 -0.96 0.00 0.00 56.93 57.70 1n4x s PHE 60 Cb -0.27 -3.00 -0.14 0.00 -0.34 0.00 0.00 43.02 39.27 1n4x s PHE 60 CO 0.31 -1.14 1.22 -1.13 -1.46 0.00 0.00 175.22 173.02 1n4x n SER 61 N -2.13 1.92 0.00 6.13 3.41 -1.26 -1.83 113.62 119.87 1n4x n SER 61 Ca 0.09 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1n4x n SER 61 Cb 0.53 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1n4x n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4x n GLY 62 N 1.79 2.28 3.71 5.00 0.00 -1.26 -5.02 105.19 111.68 1n4x n GLY 62 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1n4x n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n4x s VAL 63 N -2.87 4.57 0.62 1.61 1.01 -0.76 -5.02 120.40 119.57 1n4x s VAL 63 Ca 0.00 1.85 -0.18 0.00 0.00 0.00 0.00 61.98 63.64 1n4x s VAL 63 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1n4x s VAL 63 CO 0.00 0.13 1.27 -2.84 0.00 0.00 0.00 175.10 173.66 1n4x s PRO 64 N 1.10 2.72 0.00 2.72 0.02 -1.26 -4.89 135.00 135.41 1n4x s PRO 64 Ca 0.54 2.00 0.19 0.00 0.02 0.00 0.00 61.00 63.74 1n4x s PRO 64 Cb -0.24 -1.89 0.98 0.00 0.02 0.00 0.00 34.50 33.37 1n4x s PRO 64 CO 0.28 -1.45 1.55 -0.40 -0.33 0.00 0.00 177.00 176.65 1n4x n ASP 65 N -1.75 0.00 0.27 2.53 5.68 -1.26 -2.47 116.55 119.54 1n4x n ASP 65 Ca 0.15 -0.14 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 1n4x n ASP 65 Cb 0.48 -0.21 0.72 0.00 -1.14 0.00 0.00 41.12 40.97 1n4x n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1n4x h ARG 66 N 0.00 0.00 -5.56 0.11 3.08 -1.93 -3.41 114.38 106.67 1n4x h ARG 66 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1n4x h ARG 66 Cb 0.13 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 1n4x h ARG 66 CO 0.00 0.11 -0.29 -0.06 -1.07 0.00 0.00 179.97 178.66 1n4x s PHE 67 N -3.99 3.48 0.00 3.04 0.40 -1.03 -0.99 117.98 118.90 1n4x s PHE 67 Ca -0.02 0.66 -0.02 0.00 -0.60 0.00 0.00 56.93 56.96 1n4x s PHE 67 Cb 0.12 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 1n4x s PHE 67 CO 0.57 0.25 0.03 -1.54 0.70 0.00 0.00 175.22 175.23 1n4x s SER 68 N 0.40 0.10 0.09 1.36 1.04 -0.21 -4.97 113.70 111.52 1n4x s SER 68 Ca 0.18 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.47 1n4x s SER 68 Cb -0.13 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1n4x s SER 68 CO 0.05 -0.23 -0.25 -0.83 0.98 0.00 0.00 173.24 172.97 1n4x s GLY 69 N -0.97 1.40 0.33 7.32 0.00 -1.26 -0.32 107.32 113.82 1n4x s GLY 69 Ca -0.11 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 1n4x s GLY 69 CO -0.00 -1.28 0.61 -1.35 0.00 0.00 0.00 173.10 171.08 1n4x s SER 70 N -1.73 0.26 0.00 1.64 1.04 -0.35 -4.25 113.70 110.31 1n4x s SER 70 Ca 0.11 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1n4x s SER 70 Cb -0.10 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1n4x s SER 70 CO 0.04 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1n4x n GLY 71 N -0.50 3.44 3.46 7.32 0.00 -1.26 -0.80 105.19 116.85 1n4x n GLY 71 Ca -0.03 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1n4x n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4x s SER 72 N 0.00 -0.49 0.74 1.61 0.01 -0.10 -4.94 113.70 110.54 1n4x s SER 72 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1n4x s SER 72 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1n4x s SER 72 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 1n4x n GLY 73 N -0.37 0.42 0.25 3.44 0.00 -1.26 -1.39 105.19 106.28 1n4x n GLY 73 Ca -0.15 0.60 0.04 0.00 0.00 0.00 0.00 46.02 46.51 1n4x n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n4x n THR 74 N 0.00 0.78 -3.88 2.61 -2.24 -1.26 -4.24 114.28 106.05 1n4x n THR 74 Ca 0.00 -0.91 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 1n4x n THR 74 Cb 0.00 0.28 -0.17 0.00 -2.10 0.00 0.00 70.33 68.34 1n4x n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n4x s ASP 75 N -1.58 2.27 0.05 3.42 -1.08 -0.48 -1.70 116.67 117.56 1n4x s ASP 75 Ca 0.12 -0.37 0.04 0.00 -0.52 0.00 0.00 52.55 51.82 1n4x s ASP 75 Cb 0.10 -0.79 -0.02 0.00 -1.46 0.00 0.00 42.92 40.75 1n4x s ASP 75 CO 0.01 -0.15 -0.13 -0.36 0.52 0.00 0.00 175.17 175.06 1n4x s PHE 76 N 1.74 1.08 0.00 -5.34 0.08 -0.31 -0.92 117.98 114.32 1n4x s PHE 76 Ca 0.04 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1n4x s PHE 76 Cb -0.13 -0.63 -0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1n4x s PHE 76 CO -0.08 0.02 -0.04 0.99 -0.10 0.00 0.00 175.22 176.01 1n4x s THR 77 N -1.08 0.31 -0.15 0.64 2.01 0.02 -1.58 115.64 115.82 1n4x s THR 77 Ca -0.02 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1n4x s THR 77 Cb -0.09 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1n4x s THR 77 CO 0.01 -0.01 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.59 1n4x s LEU 78 N -0.35 2.67 0.03 4.42 2.96 -0.32 -1.21 118.68 126.89 1n4x s LEU 78 Ca -0.01 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 1n4x s LEU 78 Cb -0.03 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1n4x s LEU 78 CO -0.00 0.12 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.36 1n4x s LYS 79 N 0.59 1.77 -0.27 1.98 1.02 0.57 -1.11 119.74 124.29 1n4x s LYS 79 Ca -0.08 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 54.90 1n4x s LYS 79 Cb -0.16 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.33 1n4x s LYS 79 CO 0.03 0.50 -0.07 0.42 -0.92 0.00 0.00 175.35 175.31 1n4x s ILE 80 N -0.76 2.02 0.19 2.17 1.01 -0.02 -1.04 121.20 124.78 1n4x s ILE 80 Ca 0.11 -1.66 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 1n4x s ILE 80 Cb -0.10 -2.23 0.11 0.00 0.01 0.00 0.00 42.46 40.25 1n4x s ILE 80 CO 0.01 -0.15 1.75 0.77 0.00 0.00 0.00 174.94 177.33 1n4x h SER 81 N 7.79 0.23 -2.70 3.58 4.64 -1.34 -0.09 113.55 125.66 1n4x h SER 81 Ca -0.16 0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 60.88 1n4x h SER 81 Cb 1.04 0.03 -0.37 0.00 -0.31 0.00 0.00 62.40 62.80 1n4x h SER 81 CO 0.46 0.16 -0.64 -0.13 -0.87 0.00 0.00 176.83 175.80 1n4x s ARG 82 N -6.12 0.15 0.20 4.77 0.52 -1.26 -3.68 118.95 113.53 1n4x s ARG 82 Ca -0.13 0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 1n4x s ARG 82 Cb 0.15 -1.13 -0.09 0.00 0.52 0.00 0.00 34.95 34.40 1n4x s ARG 82 CO 0.74 -0.59 1.33 0.08 0.02 0.00 0.00 175.30 176.87 1n4x s VAL 83 N 2.29 3.14 0.29 3.52 1.01 0.42 -4.81 120.40 126.26 1n4x s VAL 83 Ca 0.05 0.94 0.11 0.00 0.00 0.00 0.00 61.98 63.08 1n4x s VAL 83 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1n4x s VAL 83 CO -0.11 0.14 -0.09 -1.61 0.00 0.00 0.00 175.10 173.43 1n4x s GLU 84 N -0.10 1.96 0.31 2.72 2.02 -1.26 -0.67 118.70 123.68 1n4x s GLU 84 Ca 0.57 -1.66 0.08 0.00 0.02 0.00 0.00 54.97 53.98 1n4x s GLU 84 Cb -0.37 -1.93 0.81 0.00 0.10 0.00 0.00 34.13 32.74 1n4x s GLU 84 CO 0.39 0.30 1.75 0.00 0.02 0.00 0.00 175.26 177.71 1n4x h ALA 85 N 2.04 1.72 0.00 5.21 0.00 -2.00 0.08 119.26 126.31 1n4x h ALA 85 Ca -0.42 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n4x h ALA 85 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1n4x h ALA 85 CO 0.62 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.85 1n4x n GLU 86 N -4.83 0.67 0.00 0.00 0.00 -1.26 -3.15 120.64 112.06 1n4x n GLU 86 Ca 0.25 0.02 0.13 0.00 0.00 0.00 0.00 57.16 57.55 1n4x n GLU 86 Cb 0.66 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.91 1n4x n GLU 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1n4x n ASP 87 N -1.08 1.38 -4.77 -1.84 8.00 0.01 -4.94 116.55 113.31 1n4x n ASP 87 Ca 0.17 -1.14 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 1n4x n ASP 87 Cb 0.12 0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1n4x n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n4x s LEU 88 N -2.41 4.27 0.00 0.64 1.43 -1.19 -4.89 118.68 116.53 1n4x s LEU 88 Ca 0.25 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1n4x s LEU 88 Cb 0.19 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1n4x s LEU 88 CO 0.50 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1n4x n GLY 89 N 0.68 -0.12 3.43 -3.19 0.00 -1.11 -4.42 105.19 100.46 1n4x n GLY 89 Ca 0.03 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 1n4x n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4x s ILE 90 N -2.98 3.80 0.03 -0.61 1.01 -0.69 -0.88 121.20 120.89 1n4x s ILE 90 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1n4x s ILE 90 Cb 0.00 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1n4x s ILE 90 CO 0.00 0.44 0.22 -0.31 0.00 0.00 0.00 174.94 175.30 1n4x s TYR 91 N 0.93 3.54 -0.01 3.97 1.51 0.26 0.03 117.35 127.57 1n4x s TYR 91 Ca 0.01 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1n4x s TYR 91 Cb -0.14 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1n4x s TYR 91 CO 0.01 0.60 0.02 0.71 -1.11 0.00 0.00 175.55 175.79 1n4x s TYR 92 N -1.42 -0.02 0.32 2.71 2.02 0.25 -0.60 117.35 120.60 1n4x s TYR 92 Ca 0.32 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 57.12 1n4x s TYR 92 Cb -0.13 -0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.40 1n4x s TYR 92 CO 0.22 -0.02 0.47 0.00 -1.57 0.00 0.00 175.55 174.65 1n4x s PHE 94 N -2.17 -0.58 -0.06 0.00 5.36 0.18 -1.39 117.98 119.32 1n4x s PHE 94 Ca 0.41 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.66 1n4x s PHE 94 Cb -0.09 0.27 -0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1n4x s PHE 94 CO 0.32 -0.42 -0.19 1.14 -1.46 0.00 0.00 175.22 174.60 1n4x s GLN 95 N -0.43 2.19 -0.16 10.12 1.03 -0.44 -0.60 119.66 131.36 1n4x s GLN 95 Ca -0.06 -0.69 0.14 0.00 0.04 0.00 0.00 55.36 54.79 1n4x s GLN 95 Cb -0.03 -1.81 0.41 0.00 0.03 0.00 0.00 33.01 31.61 1n4x s GLN 95 CO 0.04 0.22 1.20 0.41 -2.54 0.00 0.00 175.29 174.63 1n4x n GLY 96 N 3.29 4.27 0.09 2.60 0.00 -0.45 -2.22 105.19 112.77 1n4x n GLY 96 Ca -0.19 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 1n4x n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n4x h SER 97 N 0.92 0.14 -4.18 1.61 0.02 -1.85 -3.46 113.55 106.75 1n4x h SER 97 Ca -0.04 -0.26 -0.44 0.00 -0.84 0.00 0.00 61.79 60.21 1n4x h SER 97 Cb 1.18 -0.05 -0.28 0.00 0.14 0.00 0.00 62.40 63.39 1n4x h SER 97 CO 0.02 1.23 -0.79 -1.00 -1.14 0.00 0.00 176.83 175.15 1n4x s HIS 98 N -2.60 1.07 0.06 3.45 3.76 -1.26 -4.46 115.29 115.30 1n4x s HIS 98 Ca -0.08 -0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.35 1n4x s HIS 98 Cb 0.08 -0.67 -0.06 0.00 1.11 0.00 0.00 32.58 33.03 1n4x s HIS 98 CO 0.82 -0.01 0.74 0.12 -0.85 0.00 0.00 174.74 175.56 1n4x s PHE 99 N -0.42 3.77 0.37 1.40 2.19 -1.26 -3.12 117.98 120.91 1n4x s PHE 99 Ca 0.04 1.47 -0.19 0.00 0.33 0.00 0.00 56.93 58.57 1n4x s PHE 99 Cb -0.05 -2.77 -0.10 0.00 -1.31 0.00 0.00 43.02 38.79 1n4x s PHE 99 CO -0.00 0.35 0.85 -1.25 1.83 0.00 0.00 175.22 177.00 1n4x s PRO 100 N -0.34 4.17 0.40 10.12 0.04 -1.26 -4.99 135.00 143.14 1n4x s PRO 100 Ca 0.37 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 62.09 1n4x s PRO 100 Cb -0.21 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 1n4x s PRO 100 CO 0.23 0.09 1.37 -1.25 0.04 0.00 0.00 177.00 177.48 1n4x s PRO 101 N -2.95 3.97 0.15 0.56 0.04 -1.18 -4.72 135.00 130.87 1n4x s PRO 101 Ca 0.57 2.31 0.07 0.00 0.04 0.00 0.00 61.00 63.98 1n4x s PRO 101 Cb -0.11 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1n4x s PRO 101 CO 0.16 -0.54 -0.15 0.95 0.04 0.00 0.00 177.00 177.46 1n4x s THR 102 N -1.20 1.47 0.19 1.26 -4.23 -0.94 -4.76 115.64 107.42 1n4x s THR 102 Ca 0.56 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1n4x s THR 102 Cb -0.41 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 1n4x s THR 102 CO 0.54 -0.46 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.61 1n4x s PHE 103 N -2.38 2.42 0.81 3.99 0.08 -1.26 -1.32 117.98 120.33 1n4x s PHE 103 Ca 0.13 -0.31 -0.12 0.00 0.12 0.00 0.00 56.93 56.76 1n4x s PHE 103 Cb -0.04 -1.20 0.08 0.00 -0.57 0.00 0.00 43.02 41.30 1n4x s PHE 103 CO 0.04 0.50 1.12 0.20 -0.10 0.00 0.00 175.22 176.98 1n4x s GLY 104 N -2.71 1.61 0.00 4.36 0.00 -0.49 -4.48 107.32 105.61 1n4x s GLY 104 Ca 0.22 -0.36 0.21 0.00 0.00 0.00 0.00 44.72 44.79 1n4x s GLY 104 CO 0.12 0.10 1.67 0.61 0.00 0.00 0.00 173.10 175.60 1n4x n GLY 105 N -2.41 -0.90 0.00 0.20 0.00 -1.26 -4.71 105.19 96.11 1n4x n GLY 105 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1n4x n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4x n GLY 106 N 0.46 0.96 2.84 -0.02 0.00 -1.26 -5.04 105.19 103.13 1n4x n GLY 106 Ca 0.12 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 1n4x n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4x s THR 107 N -2.47 0.63 -0.52 2.61 2.01 0.23 -4.67 115.64 113.45 1n4x s THR 107 Ca 0.00 -0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 1n4x s THR 107 Cb 0.00 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1n4x s THR 107 CO 0.00 0.29 0.79 -0.75 -0.69 0.00 0.00 174.62 174.26 1n4x s LYS 108 N 1.66 3.26 -0.27 4.92 2.20 -0.99 -0.58 119.74 129.94 1n4x s LYS 108 Ca 0.02 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.90 1n4x s LYS 108 Cb -0.13 -4.05 -0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1n4x s LYS 108 CO -0.05 -1.32 0.81 -1.17 -0.36 0.00 0.00 175.35 173.27 1n4x s LEU 109 N 3.32 4.07 0.18 5.43 2.96 -0.06 -0.21 118.68 134.37 1n4x s LEU 109 Ca 0.24 0.86 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 1n4x s LEU 109 Cb -0.15 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 1n4x s LEU 109 CO 0.17 -0.57 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.76 1n4x s GLU 110 N 2.92 1.15 0.51 1.98 -1.05 -0.73 -2.75 118.70 120.72 1n4x s GLU 110 Ca 0.34 -1.54 -0.17 0.00 -0.15 0.00 0.00 54.97 53.45 1n4x s GLU 110 Cb -0.15 -0.49 -0.08 0.00 -0.44 0.00 0.00 34.13 32.97 1n4x s GLU 110 CO 0.10 -0.04 0.99 -1.50 0.95 0.00 0.00 175.26 175.75 1n4x s ILE 111 N -3.47 4.47 0.00 1.83 1.10 -1.26 -0.84 121.20 123.03 1n4x s ILE 111 Ca 0.22 1.22 0.00 0.00 -0.51 0.00 0.00 60.65 61.58 1n4x s ILE 111 Cb 0.05 -3.69 0.00 0.00 0.15 0.00 0.00 42.46 38.97 1n4x s ILE 111 CO 0.04 -0.65 0.00 0.00 -2.11 0.00 0.00 174.94 172.22